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$$$$
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AG 013736

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VEGFR, PDGFR, c-Kit

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http://www.selleckchem.com/products/Axitinib.html

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319460-85-0

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Src, Bcr-Abl

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Free Base

>  <URL> (5)
http://www.selleckchem.com/products/AZD0530.html

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379231-04-6

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6

>  <Formula> (6)
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>  <Item Name> (6)
AZD6244 (Selumetinib)

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>  <Synonyms> (6)
ARRY-142886 

>  <Target> (6)
MEK

>  <Form> (6)
Free Base

>  <URL> (6)
http://www.selleckchem.com/products/AZD6244.html

>  <CAS Number> (6)
606143-52-6

$$$$
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>  <Target> (7)
VEGFR, PDGFR, FGFR

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>  <URL> (7)
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656247-17-5

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MG-341, PS-341

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Proteasome

>  <Form> (8)
Free Base

>  <URL> (8)
http://www.selleckchem.com/products/Bortezomib.html

>  <CAS Number> (8)
179324-69-7

$$$$
Bosutinib (SKI-606).cdx
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N/A 

>  <Target> (9)
Src

>  <Form> (9)
Free Base

>  <URL> (9)
http://www.selleckchem.com/products/Bosutinib.html

>  <CAS Number> (9)
380843-75-4

$$$$
untitled.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (10)
10

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Cediranib (AZD2171)

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S1017

>  <Synonyms> (10)
Recentin 

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VEGFR, Flt

>  <Form> (10)
Free Base

>  <URL> (10)
http://www.selleckchem.com/products/Cediranib.html

>  <CAS Number> (10)
288383-20-0

$$$$
CI1040.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (11)
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MEK 

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>  <CAS Number> (11)
212631-79-3

$$$$
Dasatinib.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (12)
12

>  <Formula> (12)
C22H26ClN7O2S

>  <MolWeight> (12)
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>  <Item Name> (12)
Dasatinib

>  <Catalog Number> (12)
S1021

>  <Synonyms> (12)
BMS-354825

>  <Target> (12)
Src, Bcr-Abl, c-Kit

>  <Form> (12)
Free Base

>  <URL> (12)
http://www.selleckchem.com/products/Dasatinib.html

>  <CAS Number> (12)
302962-49-8

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (13)
13

>  <Formula> (13)
C53H84NO14P

>  <MolWeight> (13)
990.206121

>  <Item Name> (13)
Deforolimus (MK-8669) 

>  <Catalog Number> (13)
S1022

>  <Synonyms> (13)
AP23573, MK-8669

>  <Target> (13)
mTOR

>  <Form> (13)
Free Base

>  <URL> (13)
http://www.selleckchem.com/products/Deforolimus.html

>  <CAS Number> (13)
572924-54-0

$$$$

csChFnd80/10101813032D

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>  <Mol_ID> (14)
14

>  <Formula> (14)
C21H21FN6O

>  <MolWeight> (14)
392.4294432

>  <Item Name> (14)
Dovitinib (TKI-258, CHIR-258)

>  <Catalog Number> (14)
S1018

>  <Synonyms> (14)
N/A

>  <Target> (14)
c-Kit, FGFR, Flt, VEGFR, PDGFR 

>  <Form> (14)
Free base

>  <URL> (14)
http://www.selleckchem.com/products/CHIR-258.html

>  <CAS Number> (14)
405169-16-6

$$$$
untitled.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (15)
15

>  <Formula> (15)
C22H24ClFN4O3

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>  <Item Name> (15)
Gefitinib (ZD1839)

>  <Catalog Number> (15)
S1025

>  <Synonyms> (15)
N/A

>  <Target> (15)
EGFR

>  <Form> (15)
Free Base

>  <URL> (15)
http://www.selleckchem.com/products/Gefitinib.html

>  <CAS Number> (15)
184475-35-2

$$$$
Imatinib Mesylate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (16)
16

>  <Formula> (16)
C30H35N7O4S

>  <MolWeight> (16)
589.7084

>  <Item Name> (16)
Imatinib Mesylate (STI571)

>  <Catalog Number> (16)
S1026

>  <Synonyms> (16)
CGP-57148B, ST-1571 Mesylate

>  <Target> (16)
PDGFR, c-Kit, Bcr-Abl

>  <Form> (16)
Mesylate

>  <URL> (16)
http://www.selleckchem.com/products/Imatinib-Mesylate.html

>  <CAS Number> (16)
220127-57-1

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (17)
17

>  <Formula> (17)
C43H42ClFN4O10S3

>  <MolWeight> (17)
925.4607832

>  <Item Name> (17)
Lapatinib (GW-572016) Ditosylate

>  <Catalog Number> (17)
S1028

>  <Synonyms> (17)
GW-57201

>  <Target> (17)
EGFR, HER2

>  <Form> (17)
Ditosylat

>  <URL> (17)
http://www.selleckchem.com/products/Lapatinib-Ditosylate.html

>  <CAS Number> (17)
388082-77-7

$$$$
untitled.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C13H13N3O3

>  <MolWeight> (18)
259.26062

>  <Item Name> (18)
Lenalidomide (CC-5013)

>  <Catalog Number> (18)
S1029

>  <Synonyms> (18)
CC-5013

>  <Target> (18)
TNF-alpha

>  <Form> (18)
Free Base

>  <URL> (18)
http://www.selleckchem.com/products/Lenalidomide.html

>  <CAS Number> (18)
191732-72-6

$$$$
untitled.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C21H23N3O2

>  <MolWeight> (19)
349.42622

>  <Item Name> (19)
Panobinostat (LBH589)

>  <Catalog Number> (19)
S1030

>  <Synonyms> (19)
N/A 

>  <Target> (19)
HDAC 

>  <Form> (19)
Free Base

>  <URL> (19)
http://www.selleckchem.com/products/LBH-589.html

>  <CAS Number> (19)
404950-80-7

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C22H29N5O9P2

>  <MolWeight> (20)
569.441282

>  <Item Name> (20)
Motesanib Diphosphate (AMG-706)

>  <Catalog Number> (20)
S1032

>  <Synonyms> (20)
AMG-706

>  <Target> (20)
VEGFR, PDGFR, c-Kit

>  <Form> (20)
Diphosphate

>  <URL> (20)
http://www.selleckchem.com/products/Motesanib-Diphosphate.html

>  <CAS Number> (20)
857876-30-3

$$$$
untitled.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C28H22F3N7O

>  <MolWeight> (21)
529.5157896

>  <Item Name> (21)
Nilotinib (AMN-107)

>  <Catalog Number> (21)
S1033

>  <Synonyms> (21)
Tasigna 

>  <Target> (21)
Bcr-Abl

>  <Form> (21)
Free Base

>  <URL> (21)
http://www.selleckchem.com/products/Nilotinib.html

>  <CAS Number> (21)
641571-10-0

$$$$
untitled.cdx
csChFnd80/10101813032D

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C21H24ClN7O2S

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Pazopanib HCl

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S1035

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GW786034

>  <Target> (22)
VEGFR, PDGFR, c-Kit

>  <Form> (22)
Hydrochloride

>  <URL> (22)
http://www.selleckchem.com/products/Pazopanib-Hydrochloride.html

>  <CAS Number> (22)
635702-64-6

$$$$
untitled.cdx
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23

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C16H14F3IN2O4

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PD0325901

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S1036

>  <Synonyms> (23)
N/A

>  <Target> (23)
MEK 

>  <Form> (23)
Free Base

>  <URL> (23)
http://www.selleckchem.com/products/PD-0325901.html

>  <CAS Number> (23)
391210-10-9

$$$$
Dimesna.cdx
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C4H8Na2O6S4

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Dimesna

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S1201 

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BNP7787, Tavocept, BioNumerik

>  <Target> (24)
Others

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Disodium salt

>  <URL> (24)
http://www.selleckchem.com/products/Dimesna.html

>  <CAS Number> (24)
16208-51-8

$$$$
AR-42.cdx
csChFnd80/10101813032D

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25

>  <Formula> (25)
C18H20N2O3

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AR-42 (HDAC-42)

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S2244

>  <Synonyms> (25)
OSU-HDAC42

>  <Target> (25)
HDAC 

>  <Form> (25)
Free Base

>  <URL> (25)
http://www.selleckchem.com/products/AR-42-HDAC-42.html

>  <CAS Number> (25)
935881-37-1

$$$$
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26

>  <Formula> (26)
C19H16N4O3

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PI-103

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>  <Synonyms> (26)
N/A

>  <Target> (26)
DNA-PK, PI3K, mTOR

>  <Form> (26)
Free Base

>  <URL> (26)
http://www.selleckchem.com/products/PI-103.html

>  <CAS Number> (26)
371935-74-9

$$$$
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>  <Mol_ID> (27)
27

>  <Formula> (27)
C51H79NO13

>  <MolWeight> (27)
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>  <Item Name> (27)
Rapamycin (Sirolimus)

>  <Catalog Number> (27)
S1039

>  <Synonyms> (27)
N/A 

>  <Target> (27)
mTOR 

>  <Form> (27)
Free Base

>  <URL> (27)
http://www.selleckchem.com/products/Rapamycin.html

>  <CAS Number> (27)
53123-88-9

$$$$

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>  <Mol_ID> (28)
28

>  <Formula> (28)
C28H24ClF3N4O6S

>  <MolWeight> (28)
637.0265696

>  <Item Name> (28)
Sorafenib Tosylate

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S1040

>  <Synonyms> (28)
Bay 43-9006 

>  <Target> (28)
VEGFR, PDGFR, Raf

>  <Form> (28)
Tosylate

>  <URL> (28)
http://www.selleckchem.com/products/Sorafenib-Tosylate.html

>  <CAS Number> (28)
475207-59-1

$$$$
untitled.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (29)
29

>  <Formula> (29)
C15H13N3S

>  <MolWeight> (29)
267.34882

>  <Item Name> (29)
STF-62247

>  <Catalog Number> (29)
S1041

>  <Synonyms> (29)
N/A

>  <Target> (29)
Others

>  <Form> (29)
Free Base

>  <URL> (29)
http://www.selleckchem.com/products/STF-62247.html

>  <CAS Number> (29)
315702-99-9

$$$$

csChFnd80/10101813032D

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>  <Mol_ID> (30)
30

>  <Formula> (30)
C26H33FN4O7

>  <MolWeight> (30)
532.5612232

>  <Item Name> (30)
Sunitinib Malate

>  <Catalog Number> (30)
S1042

>  <Synonyms> (30)
N/A

>  <Target> (30)
VEGFR, PDGFR, c-Kit, Flt

>  <Form> (30)
Malate

>  <URL> (30)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

>  <CAS Number> (30)
341031-54-7

$$$$
vorinostat.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C14H20N2O3

>  <MolWeight> (31)
264.3202

>  <Item Name> (31)
Vorinostat (SAHA, MK0683)

>  <Catalog Number> (31)
S1047

>  <Synonyms> (31)
SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (31)
HDAC

>  <Form> (31)
Free Base

>  <URL> (31)
http://www.selleckchem.com/products/Vorinostat-(SAHA).html

>  <CAS Number> (31)
149647-78-9

$$$$
untitled.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (32)
32

>  <Formula> (32)
C23H28N8OS

>  <MolWeight> (32)
464.58642

>  <Item Name> (32)
VX-680 (MK-0457, Tozasertib)

>  <Catalog Number> (32)
S1048

>  <Synonyms> (32)
N/A 

>  <Target> (32)
Aurora Kinase

>  <Form> (32)
Free Base

>  <URL> (32)
http://www.selleckchem.com/products/VX-680(MK-0457).html

>  <CAS Number> (32)
639089-54-6

$$$$
Y-27632 2HCL.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (33)
33

>  <Formula> (33)
C14H23Cl2N3O

>  <MolWeight> (33)
320.25792

>  <Item Name> (33)
Y-27632 2HCl

>  <Catalog Number> (33)
S1049

>  <Synonyms> (33)
N/A

>  <Target> (33)
ROCK

>  <Form> (33)
Dihydrochloride

>  <URL> (33)
http://www.selleckchem.com/products/Y-27632.html

>  <CAS Number> (33)
129830-38-2

$$$$
untitled.cdx
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>  <Mol_ID> (34)
34

>  <Formula> (34)
C19H20N4O2S2

>  <MolWeight> (34)
400.5177

>  <Item Name> (34)
Elesclomol (STA-4783)

>  <Catalog Number> (34)
S1052

>  <Synonyms> (34)
STA-4783

>  <Target> (34)
HSP

>  <Form> (34)
Free Base

>  <URL> (34)
http://www.selleckchem.com/products/Elesclomol.html

>  <CAS Number> (34)
488832-69-5

$$$$
untitled.cdx
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HDAC 

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N/A 

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PKC 

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Free Base

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http://www.selleckchem.com/products/Enzastaurin.html

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170364-57-5

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Obatoclax mesylate (GX15-070)

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N/A 

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Bcl-2 

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Mesylate

>  <URL> (37)
http://www.selleckchem.com/products/Obatoclax-Mesylate.html

>  <CAS Number> (37)
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PARP 

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Nutlin-3

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S1061

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N/A

>  <Target> (39)
Mdm2

>  <Form> (39)
Free Base

>  <URL> (39)
http://www.selleckchem.com/products/Nutlin-3.html

>  <CAS Number> (39)
548472-68-0

$$$$
untitled.cdx
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>  <Mol_ID> (40)
40

>  <Formula> (40)
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>  <MolWeight> (40)
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>  <Item Name> (40)
Masitinib (AB1010)

>  <Catalog Number> (40)
S1064

>  <Synonyms> (40)
N/A 

>  <Target> (40)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (40)
Free Base

>  <URL> (40)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

>  <CAS Number> (40)
790299-79-5

$$$$
untitled.cdx
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>  <Mol_ID> (41)
41

>  <Formula> (41)
C23H27N7O3S2

>  <MolWeight> (41)
513.63558

>  <Item Name> (41)
Pictilisib (GDC-0941)

>  <Catalog Number> (41)
S1065

>  <Synonyms> (41)
RG7321

>  <Target> (41)
PI3K 

>  <Form> (41)
Free Base

>  <URL> (41)
http://www.selleckchem.com/products/GDC-0941.html

>  <CAS Number> (41)
957054-30-7

$$$$
untitled.cdx
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N/A

>  <Target> (47)
p38 MAPK 

>  <Form> (47)
Free Base

>  <URL> (47)
http://www.selleckchem.com/products/SB-202190.html

>  <CAS Number> (47)
152121-30-7

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>  <Formula> (48)
C25H23Cl2N5O

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>  <Item Name> (48)
MK-2206 dihydrochloride

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>  <Synonyms> (48)
N/A

>  <Target> (48)
Akt

>  <Form> (48)
Dihydrochloride

>  <URL> (48)
http://www.selleckchem.com/products/MK-2206.html

>  <CAS Number> (48)
1032350-13-2

$$$$
untitled.cdx
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49

>  <Formula> (49)
C28H30ClN5O4S

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SU11274

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S1080

>  <Synonyms> (49)
PKI-SU11274

>  <Target> (49)
c-Met 

>  <Form> (49)
Free Base

>  <URL> (49)
http://www.selleckchem.com/products/SU11274.html

>  <CAS Number> (49)
658084-23-2

$$$$
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50

>  <Formula> (50)
C19H14Cl2N2O3S

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>  <Item Name> (50)
Vismodegib (GDC-0449)

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S1082

>  <Synonyms> (50)
N/A 

>  <Target> (50)
Hedgehog, P-gp

>  <Form> (50)
Free Base

>  <URL> (50)
http://www.selleckchem.com/products/GDC-0449.html

>  <CAS Number> (50)
879085-55-9

$$$$
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csChFnd80/10101813032D

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N/A 

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VEGFR, FGFR

>  <Form> (51)
Free Base

>  <URL> (51)
http://www.selleckchem.com/products/Brivanib.html

>  <CAS Number> (51)
649735-46-6

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>  <Mol_ID> (52)
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>  <Formula> (52)
C15H14N2O4S

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S1085

>  <Synonyms> (52)
N/A 

>  <Target> (52)
HDAC 

>  <Form> (52)
Free Base

>  <URL> (52)
http://www.selleckchem.com/products/Belinostat.html

>  <CAS Number> (52)
414864-00-9

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>  <Formula> (53)
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SAR240550 

>  <Target> (53)
PARP 

>  <Form> (53)
Free Base

>  <URL> (53)
http://www.selleckchem.com/products/BSI-201.html

>  <CAS Number> (53)
160003-66-7

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ADW742

>  <Target> (54)
IGF-1R

>  <Form> (54)
Free Base

>  <URL> (54)
http://www.selleckchem.com/products/NVP-ADW742.html

>  <CAS Number> (54)
475488-23-4

$$$$
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>  <Mol_ID> (55)
55

>  <Formula> (55)
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>  <MolWeight> (55)
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>  <Item Name> (55)
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CRA-024781

>  <Target> (55)
HDAC 

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>  <URL> (55)
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$$$$
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59

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C22H25N3O3

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379.4522

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LAQ824 (Dacinostat)

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S1095

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NVP-LAQ824

>  <Target> (59)
HDAC 

>  <Form> (59)
Free Base

>  <URL> (59)
http://www.selleckchem.com/products/LAQ824(NVP-LAQ824).html

>  <CAS Number> (59)
404951-53-7

$$$$

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60

>  <Formula> (60)
C19H21FN3O5P

>  <MolWeight> (60)
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>  <Item Name> (60)
Rucaparib (AG-014699,PF-01367338) phosphate

>  <Catalog Number> (60)
S1098

>  <Synonyms> (60)
AG-014447 

>  <Target> (60)
PARP 

>  <Form> (60)
Phosphate

>  <URL> (60)
http://www.selleckchem.com/products/AG-014699.html

>  <CAS Number> (60)
459868-92-9

$$$$
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>  <Mol_ID> (61)
61

>  <Formula> (61)
C25H15ClF2N4O2

>  <MolWeight> (61)
476.8620064

>  <Item Name> (61)
MLN8054

>  <Catalog Number> (61)
S1100

>  <Synonyms> (61)
N/A

>  <Target> (61)
Aurora Kinase

>  <Form> (61)
Free Base

>  <URL> (61)
http://www.selleckchem.com/products/MLN8054.html

>  <CAS Number> (61)
869363-13-3

$$$$
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>  <Mol_ID> (62)
62

>  <Formula> (62)
C20H17Cl3N4

>  <MolWeight> (62)
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>  <Item Name> (62)
Vatalanib (PTK787) 2HCl

>  <Catalog Number> (62)
S1101

>  <Synonyms> (62)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (62)
VEGFR, c-Kit, Flt

>  <Form> (62)
Dihydrochloride

>  <URL> (62)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

>  <CAS Number> (62)
212141-51-0

$$$$
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AR-12 

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PDK-1

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Free Base

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http://www.selleckchem.com/products/OSU-03012.html

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742112-33-0

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MEK

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Ethanolate

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http://www.selleckchem.com/products/U0126.html

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1173097-76-1

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Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

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>  <URL> (69)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

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827318-97-8

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C21H20N2O5

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Varespladib (LY315920)

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LY-333013 

>  <Target> (71)
Phospholipase

>  <Form> (71)
Free Base

>  <URL> (71)
http://www.selleckchem.com/products/LY315920(Varespladib).html

>  <CAS Number> (71)
172732-68-2

$$$$
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72

>  <Formula> (72)
C34H34F2N4O6

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>  <Item Name> (72)
Foretinib (GSK1363089, XL880)

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S1111

>  <Synonyms> (72)
N/A 

>  <Target> (72)
c-Met, VEGFR

>  <Form> (72)
Free Base

>  <URL> (72)
http://www.selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

>  <CAS Number> (72)
849217-64-7

$$$$
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>  <Mol_ID> (73)
73

>  <Formula> (73)
C19H13F2N7

>  <MolWeight> (73)
377.3502264

>  <Item Name> (73)
JNJ-38877605

>  <Catalog Number> (73)
S1114

>  <Synonyms> (73)
N/A

>  <Target> (73)
c-Met 

>  <Form> (73)
Free Base

>  <URL> (73)
http://www.selleckchem.com/products/JNJ-38877605.html

>  <CAS Number> (73)
943540-75-8

$$$$
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mTOR

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http://www.selleckchem.com/products/Everolimus(RAD001).html

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159351-69-6

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Bcl-2 

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877877-35-5

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HDAC 

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http://www.selleckchem.com/products/MGCD0103(Mocetinostat).html

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726169-73-9

$$$$
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http://www.selleckchem.com/products/SRT1720.html

>  <CAS Number> (77)
1001645-58-4

$$$$
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>  <CAS Number> (78)
3544-24-9

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Alisertib

>  <Target> (79)
Aurora Kinase

>  <Form> (79)
Free Base

>  <URL> (79)
http://www.selleckchem.com/products/MLN8237.html

>  <CAS Number> (79)
1028486-01-2

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Cabozantinib (XL184, BMS-907351)

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VEGFR, c-Met, Flt, Tie-2, c-Kit

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>  <URL> (80)
http://www.selleckchem.com/products/XL184.html

>  <CAS Number> (80)
849217-68-1

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Bcr-Abl, JAK, Aurora Kinase

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>  <URL> (81)
http://www.selleckchem.com/products/AT9283.html

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896466-04-9

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>  <Target> (82)
Others

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Free Base

>  <URL> (82)
http://www.selleckchem.com/products/Malotilate.html

>  <CAS Number> (82)
59937-28-9 

$$$$
untitled.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (83)
83

>  <Formula> (83)
C19H18F3N3O6

>  <MolWeight> (83)
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>  <Item Name> (83)
Andarine (GTX-007)

>  <Catalog Number> (83)
S1140

>  <Synonyms> (83)
GTX-007

>  <Target> (83)
Androgen Receptor 

>  <Form> (83)
Free Base

>  <URL> (83)
http://www.selleckchem.com/products/Andarine.html

>  <CAS Number> (83)
401900-40-1

$$$$
untitled.cdx
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>  <Mol_ID> (84)
84

>  <Formula> (84)
C31H43N3O8

>  <MolWeight> (84)
585.68842

>  <Item Name> (84)
17-AAG (Tanespimycin)

>  <Catalog Number> (84)
S1141

>  <Synonyms> (84)
N/A 

>  <Target> (84)
HSP

>  <Form> (84)
Free Base

>  <URL> (84)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

>  <CAS Number> (84)
75747-14-7

$$$$

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>  <Mol_ID> (85)
85

>  <Formula> (85)
C22H24FN5O4

>  <MolWeight> (85)
441.4554632

>  <Item Name> (85)
Brivanib alaninate (BMS-582664)

>  <Catalog Number> (85)
S1138 

>  <Synonyms> (85)
N/A 

>  <Target> (85)
VEGFR, FGFR

>  <Form> (85)
Alaninate

>  <URL> (85)
http://www.selleckchem.com/products/Brivanib-alaninate.html

>  <CAS Number> (85)
649735-63-7

$$$$
17-DMAG.cdx
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86

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17-DMAG HCl (Alvespimycin)

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S1142

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NSC 707545 

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HSP

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Hydrochloride

>  <URL> (86)
http://www.selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

>  <CAS Number> (86)
467214-21-7

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AG-490.cdx
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N/A

>  <Target> (87)
JAK, EGFR

>  <Form> (87)
Free Base

>  <URL> (87)
http://www.selleckchem.com/products/AG-490.html

>  <CAS Number> (87)
133550-30-8 

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VX770.cdx
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>  <Mol_ID> (88)
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>  <Formula> (88)
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>  <MolWeight> (88)
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>  <Item Name> (88)
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N/A

>  <Target> (88)
CFTR

>  <Form> (88)
Free Base

>  <URL> (88)
http://www.selleckchem.com/products/VX-770.html

>  <CAS Number> (88)
873054-44-5

$$$$
untitled.cdx
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BMS-387032

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CDK 

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>  <URL> (89)
http://www.selleckchem.com/products/SNS-032.html

>  <CAS Number> (89)
345627-80-7

$$$$
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M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C26H30FN7O3

>  <MolWeight> (90)
507.5599032

>  <Item Name> (90)
Barasertib (AZD1152-HQPA)

>  <Catalog Number> (90)
S1147

>  <Synonyms> (90)
AZD1152 

>  <Target> (90)
Aurora Kinase

>  <Form> (90)
Free Base

>  <URL> (90)
http://www.selleckchem.com/products/AZD1152-HQPA.html

>  <CAS Number> (90)
722544-51-6

$$$$
Docetaxel.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (91)
91

>  <Formula> (91)
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>  <MolWeight> (91)
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>  <Item Name> (91)
Docetaxel (Taxotere)

>  <Catalog Number> (91)
S1148

>  <Synonyms> (91)
N/A 

>  <Target> (91)
Microtubule Associated

>  <Form> (91)
Free Base

>  <URL> (91)
http://www.selleckchem.com/products/Docetaxel(Taxotere).html

>  <CAS Number> (91)
114977-28-5

$$$$
Paclitaxel.cdx
csChFnd80/10101813032D

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Raf 

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CDK 

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186692-46-6 

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STAT

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PI3K

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663619-89-4

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BAY 73-4506

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c-Kit, Raf, VEGFR

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755037-03-7

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EGFR

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1214265-57-2

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934353-76-1

$$$$
Danoprevir (RG7227,ITMN-191,RO5190591).cdx
csChFnd80/10101813032D

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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
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 11  8  1  0  0  0  0
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 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (111)
111

>  <Formula> (111)
C35H46FN5O9S

>  <MolWeight> (111)
731.8312432

>  <Item Name> (111)
Danoprevir (ITMN-191)

>  <Catalog Number> (111)
S1183

>  <Synonyms> (111)
RG7227, ITMN-191, RO5190591

>  <Target> (111)
Proteasome, HCV Protease

>  <Form> (111)
Free Base

>  <URL> (111)
http://www.selleckchem.com/products/Danoprevir.html

>  <CAS Number> (111)
850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5

$$$$
Ritonavir.cdx
csChFnd80/10101813032D

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 38 40  2  0  0  0  0
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 43 44  2  0  0  0  0
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 47 43  1  0  0  0  0
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 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C37H48N6O5S2

>  <MolWeight> (112)
720.94422

>  <Item Name> (112)
Ritonavir

>  <Catalog Number> (112)
S1185

>  <Synonyms> (112)
Norvir, Norvir Softgel

>  <Target> (112)
HIV Protease

>  <Form> (112)
Free Base

>  <URL> (112)
http://www.selleckchem.com/products/Ritonavir.html

>  <CAS Number> (112)
155213-67-5

$$$$
Ostarine(MK-2866).cdx
csChFnd80/10101813032D

 28 29  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1870    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C19H14F3N3O3

>  <MolWeight> (113)
389.3279696

>  <Item Name> (113)
MK-2866 (GTx-024)

>  <Catalog Number> (113)
S1174

>  <Synonyms> (113)
Enobosarm, ostarine

>  <Target> (113)
Androgen Receptor

>  <Form> (113)
Free Base

>  <URL> (113)
http://www.selleckchem.com/products/Ostarine.html

>  <CAS Number> (113)
841205-47-8

$$$$
BIBR1532.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (114)
114

>  <Formula> (114)
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S1186

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N/A

>  <Target> (114)
Telomerase

>  <Form> (114)
Free Base

>  <URL> (114)
http://www.selleckchem.com/products/BIBR1532.html

>  <CAS Number> (114)
321674-73-1

$$$$
Anastrozole.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (115)
115

>  <Formula> (115)
C17H19N5

>  <MolWeight> (115)
293.36626

>  <Item Name> (115)
Anastrozole

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S1188

>  <Synonyms> (115)
Arimidex 

>  <Target> (115)
Aromatase

>  <Form> (115)
Free Base

>  <URL> (115)
http://www.selleckchem.com/products/Anastrozole.html

>  <CAS Number> (115)
120511-73-1

$$$$
Aprepitant.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (116)
116

>  <Formula> (116)
C23H21F7N4O3

>  <MolWeight> (116)
534.4266624

>  <Item Name> (116)
Aprepitant (MK-0869)

>  <Catalog Number> (116)
S1189

>  <Synonyms> (116)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (116)
Substance P

>  <Form> (116)
Free Base

>  <URL> (116)
http://www.selleckchem.com/products/Aprepitant.html

>  <CAS Number> (116)
170729-80-3

$$$$
bicalutamide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (117)
117

>  <Formula> (117)
C18H14F4N2O4S

>  <MolWeight> (117)
430.3733728

>  <Item Name> (117)
Bicalutamide (Casodex)

>  <Catalog Number> (117)
S1190

>  <Synonyms> (117)
N/A 

>  <Target> (117)
Androgen Receptor, P450

>  <Form> (117)
Free Base

>  <URL> (117)
http://www.selleckchem.com/products/Bicalutamide(Casodex).html

>  <CAS Number> (117)
90357-06-5

$$$$
Fulvestrant.cdx
csChFnd80/10101813032D

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N/A 

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Estrogen/progestogen Receptor

>  <Form> (118)
Free Base

>  <URL> (118)
http://www.selleckchem.com/products/Fulvestrant.html

>  <CAS Number> (118)
129453-61-8

$$$$
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Raltitrexed (Tomudex)

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S1192 

>  <Synonyms> (119)
N/A 

>  <Target> (119)
DNA/RNA Synthesis

>  <Form> (119)
Free Base

>  <URL> (119)
http://www.selleckchem.com/products/Raltitrexed.html

>  <CAS Number> (119)
112887-68-0

$$$$
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HDAC, EGFR, HER2

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Free Base

>  <URL> (120)
http://www.selleckchem.com/products/CUDC-101.html

>  <CAS Number> (120)
1012054-59-9

$$$$
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>  <Mol_ID> (121)
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Aromasin

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Aromatase

>  <Form> (121)
Free Base

>  <URL> (121)
http://www.selleckchem.com/products/Exemestane.html

>  <CAS Number> (121)
107868-30-4

$$$$
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    7.0281    0.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2755    1.2147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0565    2.5974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.0430    3.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    3.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5186    0.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  8  9  1  0  0  0  0
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  2 10  1  0  0  0  0
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 14 19  1  1  0  0  0
 12  9  1  6  0  0  0
M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C10H12ClN5O3

>  <MolWeight> (122)
285.68698

>  <Item Name> (122)
Cladribine

>  <Catalog Number> (122)
S1199

>  <Synonyms> (122)
Leustatin

>  <Target> (122)
DNA/RNA Synthesis

>  <Form> (122)
Free Base

>  <URL> (122)
http://www.selleckchem.com/products/Cladribine.html

>  <CAS Number> (122)
4291-63-8

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2124    3.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8601    3.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6036    3.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  5  1  1  0  0  0  0
  3  6  1  1  0  0  0
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 14  9  1  0  0  0  0
 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C8H12N4O4

>  <MolWeight> (123)
228.20528

>  <Item Name> (123)
Decitabine

>  <Catalog Number> (123)
S1200

>  <Synonyms> (123)
Dacogen

>  <Target> (123)
DNA/RNA Synthesis

>  <Form> (123)
Free Base

>  <URL> (123)
http://www.selleckchem.com/products/Decitabine.html

>  <CAS Number> (123)
2353-33-5

$$$$
Dutasteride.cdx
csChFnd80/10101813032D

 41 45  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4207    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6019    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    5.3326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.3977    6.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0496   11.2981    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3349   12.2880    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0596    9.5835    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 17 19  1  1  0  0  0
 12 36  1  1  0  0  0
  9 37  1  1  0  0  0
  5 38  1  1  0  0  0
  4 39  1  6  0  0  0
 10 40  1  6  0  0  0
 11 41  1  6  0  0  0
M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C27H30F6N2O2

>  <MolWeight> (124)
528.5297192

>  <Item Name> (124)
Dutasteride

>  <Catalog Number> (124)
S1202

>  <Synonyms> (124)
Avodart

>  <Target> (124)
5-alpha Reductase

>  <Form> (124)
Free Base

>  <URL> (124)
http://www.selleckchem.com/products/Dutasteride.html

>  <CAS Number> (124)
164656-23-9

$$$$
AV-951.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.3854    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4854    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4854    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    3.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1830    4.8371    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.5806    2.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2781    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5806    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6733    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3708    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0543    3.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 18 14  2  0  0  0  0
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 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C22H19ClN4O5

>  <MolWeight> (125)
454.86306

>  <Item Name> (125)
Tivozanib (AV-951)

>  <Catalog Number> (125)
S1207

>  <Synonyms> (125)
N/A 

>  <Target> (125)
VEGFR, c-Kit, PDGFR

>  <Form> (125)
Free Base

>  <URL> (125)
http://www.selleckchem.com/products/AV-951.html

>  <CAS Number> (125)
475108-18-0

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/10101813032D

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3242    3.7518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 36 39  2  0  0  0  0
 22 40  1  1  0  0  0
M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C27H30ClNO11

>  <MolWeight> (126)
579.9802

>  <Item Name> (126)
Doxorubicin (Adriamycin) HCl

>  <Catalog Number> (126)
S1208

>  <Synonyms> (126)
N/A 

>  <Target> (126)
Topoisomerase

>  <Form> (126)
Hydrochloride

>  <URL> (126)
http://www.selleckchem.com/products/Adriamycin.html

>  <CAS Number> (126)
25316-40-9

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C4H3FN2O2

>  <MolWeight> (127)
130.0772232

>  <Item Name> (127)
Adrucil (Fluorouracil)

>  <Catalog Number> (127)
S1209

>  <Synonyms> (127)
5-FU, Carac, Efudex, Fluoroplex 

>  <Target> (127)
DNA/RNA Synthesis

>  <Form> (127)
Free Base

>  <URL> (127)
http://www.selleckchem.com/products/Adrucil(Fluorouracil).html

>  <CAS Number> (127)
51-21-8

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/10101813032D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 20 15  1  0  0  0  0
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 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C20H22N8O5

>  <MolWeight> (128)
454.43928

>  <Item Name> (128)
Abitrexate (Methotrexate)

>  <Catalog Number> (128)
S1210

>  <Synonyms> (128)
Methotrexate, Rheumatrex, Trexall

>  <Target> (128)
DHFR

>  <Form> (128)
Free Base

>  <URL> (128)
http://www.selleckchem.com/products/Abitrexate.html

>  <CAS Number> (128)
59-05-2

$$$$
Bendamustine Hydrochloride.cdx
csChFnd80/10101813032D

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    5.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 23  1  0  0  0  0
M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C16H22Cl3N3O2

>  <MolWeight> (129)
394.72378

>  <Item Name> (129)
Bendamustine HCL 

>  <Catalog Number> (129)
S1212

>  <Synonyms> (129)
Ribomustin, Treanda, SDX-105

>  <Target> (129)
DNA/RNA Synthesis

>  <Form> (129)
Hydrochloride

>  <URL> (129)
http://www.selleckchem.com/products/Bendamustine-Hydrochloride.html

>  <CAS Number> (129)
3543-75-7

$$$$
Arranon (Nelarabine).cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    4.8847    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  1  6  0  0  0
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 15 20  1  1  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C11H15N5O5

>  <MolWeight> (130)
297.2673

>  <Item Name> (130)
Nelarabine (Arranon)

>  <Catalog Number> (130)
S1213

>  <Synonyms> (130)
Arranon

>  <Target> (130)
DNA/RNA Synthesis 

>  <Form> (130)
Free Base

>  <URL> (130)
http://www.selleckchem.com/products/Arranon.html

>  <CAS Number> (130)
121032-29-9

$$$$
Clofarabine.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C10H11ClFN5O3

>  <MolWeight> (131)
303.6774432

>  <Item Name> (131)
Clofarabine

>  <Catalog Number> (131)
S1218

>  <Synonyms> (131)
Clolar, Evoltra

>  <Target> (131)
DNA/RNA Synthesis

>  <Form> (131)
Free Base

>  <URL> (131)
http://www.selleckchem.com/products/Clofarabine.html

>  <CAS Number> (131)
123318-82-1

$$$$
OSI-930.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C22H16F3N3O2S

>  <MolWeight> (132)
443.4415496

>  <Item Name> (132)
OSI-930

>  <Catalog Number> (132)
S1220

>  <Synonyms> (132)
N/A

>  <Target> (132)
c-Kit, VEGFR

>  <Form> (132)
Free Base

>  <URL> (132)
http://www.selleckchem.com/products/OSI-930.html

>  <CAS Number> (132)
728033-96-3

$$$$
Dexrazoxane Hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C11H17ClN4O4

>  <MolWeight> (133)
304.73008

>  <Item Name> (133)
Dexrazoxane Hydrochloride

>  <Catalog Number> (133)
S1222

>  <Synonyms> (133)
Totect, ICRF-187, Zinecard, Cardioxane

>  <Target> (133)
Others

>  <Form> (133)
Hydrochloride

>  <URL> (133)
http://www.selleckchem.com/products/Dexrazoxane-Hydrochloride.html

>  <CAS Number> (133)
149003-01-0

$$$$
Ellence (Epirubicin Hydrochloride).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (134)
134

>  <Formula> (134)
C27H30ClNO11

>  <MolWeight> (134)
579.9802

>  <Item Name> (134)
Epirubicin Hydrochloride

>  <Catalog Number> (134)
S1223

>  <Synonyms> (134)
Ellence, Pharmorubicin, Epirubicin Ebewe

>  <Target> (134)
Topoisomerase 

>  <Form> (134)
Hydrochloride

>  <URL> (134)
http://www.selleckchem.com/products/Ellence.html

>  <CAS Number> (134)
56390-09-1

$$$$
Etoposide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (135)
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Etoposide (VP-16)
Etoposide

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S1225

>  <Synonyms> (135)
Vepesid 

>  <Target> (135)
Topoisomerase

>  <Form> (135)
Free Base

>  <URL> (135)
http://www.selleckchem.com/products/Etopophos.html

>  <CAS Number> (135)
33419-42-0

$$$$
KU-0063794.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (136)
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C25H31N5O4

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Ku-0063794

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S1226

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N/A

>  <Target> (136)
mTOR 

>  <Form> (136)
Free Base

>  <URL> (136)
http://www.selleckchem.com/products/KU-0063794.html

>  <CAS Number> (136)
938440-64-3

$$$$
Evista (Raloxifene Hydrochloride).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (137)
137

>  <Formula> (137)
C28H28ClNO4S

>  <MolWeight> (137)
510.04422

>  <Item Name> (137)
Evista (Raloxifene Hydrochloride)

>  <Catalog Number> (137)
S1227

>  <Synonyms> (137)
Raloxifene Hydrochloride, keoxifene

>  <Target> (137)
Estrogen/progestogen Receptor

>  <Form> (137)
Hydrochloride

>  <URL> (137)
http://www.selleckchem.com/products/Evista.html

>  <CAS Number> (137)
82640-04-8

$$$$
Idarubicin Hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (138)
138

>  <Formula> (138)
C26H28ClNO9

>  <MolWeight> (138)
533.95482

>  <Item Name> (138)
Idarubicin HCl

>  <Catalog Number> (138)
S1228

>  <Synonyms> (138)
Idamycin, Zavedos, 4-demethoxydaunorubicin 

>  <Target> (138)
Topoisomerase

>  <Form> (138)
Hydrochloride

>  <URL> (138)
http://www.selleckchem.com/products/Idarubicin.html

>  <CAS Number> (138)
57852-57-0

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C10H13FN5O7P

>  <MolWeight> (139)
365.2116842

>  <Item Name> (139)
Fludarabine Phosphate (Fludara)

>  <Catalog Number> (139)
S1229

>  <Synonyms> (139)
N/A 

>  <Target> (139)
DNA/RNA Synthesis

>  <Form> (139)
Phosphate

>  <URL> (139)
http://www.selleckchem.com/products/Fludara.html

>  <CAS Number> (139)
75607-67-9

$$$$
Topotecan.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C23H24ClN3O5

>  <MolWeight> (140)
457.90676

>  <Item Name> (140)
Topotecan HCl

>  <Catalog Number> (140)
S1231

>  <Synonyms> (140)
Hycamtin, NSC 609699

>  <Target> (140)
Topoisomerase 

>  <Form> (140)
Hydrochloride

>  <URL> (140)
http://www.selleckchem.com/products/Topotecan-Hydrochloride.html

>  <CAS Number> (140)
119413-54-6

$$$$
2-Methoxyestradiol.cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C19H26O3

>  <MolWeight> (141)
302.40794

>  <Item Name> (141)
2-Methoxyestradiol

>  <Catalog Number> (141)
S1233

>  <Synonyms> (141)
2-ME2

>  <Target> (141)
HIF

>  <Form> (141)
Free Base

>  <URL> (141)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

>  <CAS Number> (141)
362-07-2

$$$$
Letrozole.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10 11  3  0  0  0  0
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M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C17H11N5

>  <MolWeight> (142)
285.30274

>  <Item Name> (142)
Letrozole

>  <Catalog Number> (142)
S1235

>  <Synonyms> (142)
Femara, Piroxicam 

>  <Target> (142)
Aromatase 

>  <Form> (142)
Free Base

>  <URL> (142)
http://www.selleckchem.com/products/Letrozole.html

>  <CAS Number> (142)
112809-51-5

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C6H6N6O2

>  <MolWeight> (143)
194.15084

>  <Item Name> (143)
Temozolomide

>  <Catalog Number> (143)
S1237

>  <Synonyms> (143)
Methazolastone, Temodar, Temodal

>  <Target> (143)
DNA/RNA Synthesis

>  <Form> (143)
Free Base

>  <URL> (143)
http://www.selleckchem.com/products/Methazolastone.html

>  <CAS Number> (143)
85622-93-1

$$$$
Agomelatine.cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
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C15H17NO2

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Agomelatine

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Valdoxan, Melitor, Thymanax

>  <Target> (144)
5-HT Receptor

>  <Form> (144)
Free Base

>  <URL> (144)
http://www.selleckchem.com/products/Agomelatine.html

>  <CAS Number> (144)
138112-76-2

$$$$
MP-470.cdx
csChFnd80/10101813032D

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S1244

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N/A 

>  <Target> (145)
c-Met, c-Kit, PDGFR, Flt, c-RET

>  <Form> (145)
Free Base

>  <URL> (145)
http://www.selleckchem.com/products/MP-470.html

>  <CAS Number> (145)
850879-09-3

$$$$
leflunomide.cdx
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S1247

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Arava

>  <Target> (146)
Dehydrogenase

>  <Form> (146)
Free Base

>  <URL> (146)
http://www.selleckchem.com/products/Leflunomide.html

>  <CAS Number> (146)
75706-12-6

$$$$
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csChFnd80/10101813032D

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147

>  <Formula> (147)
C15H12F2N6O3S

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394.3559864

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JNJ-7706621

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S1249

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N/A 

>  <Target> (147)
CDK, Aurora Kinase

>  <Form> (147)
Free Base

>  <URL> (147)
http://www.selleckchem.com/products/JNJ-7706621.html

>  <CAS Number> (147)
443797-96-4

$$$$
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csChFnd80/10101813032D

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148

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MDV3100 (Enzalutamide)

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Androgen Receptor, P450

>  <Form> (148)
Free Base

>  <URL> (148)
http://www.selleckchem.com/products/MDV3100.html

>  <CAS Number> (148)
915087-33-1

$$$$
Dienogest.cdx
csChFnd80/10101813032D

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>  <Formula> (149)
C20H25NO2

>  <MolWeight> (149)
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>  <Item Name> (149)
Dienogest

>  <Catalog Number> (149)
S1251

>  <Synonyms> (149)
Natazia

>  <Target> (149)
Estrogen/progestogen Receptor

>  <Form> (149)
Free Base

>  <URL> (149)
http://www.selleckchem.com/products/Dienogest.html

>  <CAS Number> (149)
65928-58-7

$$$$
nepafenac.cdx
csChFnd80/10101813032D

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150

>  <Formula> (150)
C15H14N2O2

>  <MolWeight> (150)
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>  <Item Name> (150)
Nepafenac

>  <Catalog Number> (150)
S1255

>  <Synonyms> (150)
Nevanac

>  <Target> (150)
COX

>  <Form> (150)
Free Base

>  <URL> (150)
http://www.selleckchem.com/products/Nepafenac.html

>  <CAS Number> (150)
78281-72-8

$$$$
Posaconazole.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (151)
151

>  <Formula> (151)
C37H42F2N8O4

>  <MolWeight> (151)
700.7773864

>  <Item Name> (151)
Posaconazole

>  <Catalog Number> (151)
S1257

>  <Synonyms> (151)
SCH56592

>  <Target> (151)
P450 (e.g. CYP17)

>  <Form> (151)
Free Base

>  <URL> (151)
http://www.selleckchem.com/products/Posaconazole.html

>  <CAS Number> (151)
171228-49-2

$$$$
prasugrel.cdx
csChFnd80/10101813032D

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152

>  <Formula> (152)
C20H20FNO3S

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>  <Item Name> (152)
Prasugrel (Effient)

>  <Catalog Number> (152)
S1258

>  <Synonyms> (152)
Effient, Efient, Prasita

>  <Target> (152)
P2 Receptor

>  <Form> (152)
Free Base

>  <URL> (152)
http://www.selleckchem.com/products/Prasugrel.html

>  <CAS Number> (152)
150322-43-3

$$$$
Ramelteon.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (153)
153

>  <Formula> (153)
C16H21NO2

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Ramelteon

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S1259

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TAK-375

>  <Target> (153)
MT Receptor

>  <Form> (153)
Free Base

>  <URL> (153)
http://www.selleckchem.com/products/Ramelteon.html

>  <CAS Number> (153)
196597-26-9

$$$$
s4261.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (154)
154

>  <Formula> (154)
C18H18ClMnN2O4

>  <MolWeight> (154)
416.737569

>  <Item Name> (154)
EUK 134

>  <Catalog Number> (154)
S4261

>  <Synonyms> (154)
N/A

>  <Target> (154)
Beta Amyloid

>  <Form> (154)
Complex

>  <URL> (154)
http://www.selleckchem.com/products/euk-134.html

>  <CAS Number> (154)
81065-76-1

$$$$
Cinacalcet Hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (155)
155

>  <Formula> (155)
C22H23ClF3N

>  <MolWeight> (155)
393.8729296

>  <Item Name> (155)
AMG-073 HCl (Cinacalcet hydrochloride)

>  <Catalog Number> (155)
S1260

>  <Synonyms> (155)
Mimpara, Sensipar

>  <Target> (155)
CaSR

>  <Form> (155)
Hydrochloride

>  <URL> (155)
http://www.selleckchem.com/products/Cinacalcet-hydrochloride.html

>  <CAS Number> (155)
364782-34-3

$$$$
Celecoxib.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (156)
156

>  <Formula> (156)
C17H14F3N3O2S

>  <MolWeight> (156)
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>  <Item Name> (156)
Celecoxib

>  <Catalog Number> (156)
S1261

>  <Synonyms> (156)
Celebrex, Celebra 

>  <Target> (156)
COX

>  <Form> (156)
Free Base

>  <URL> (156)
http://www.selleckchem.com/products/Celecoxib.html

>  <CAS Number> (156)
169590-42-5

$$$$
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csChFnd80/10101813032D

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mTOR 

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 12  7  1  0  0  0  0
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 31 29  1  0  0  0  0
M  END
>  <Mol_ID> (161)
161

>  <Formula> (161)
C28H28O3

>  <MolWeight> (161)
412.52012

>  <Item Name> (161)
Adapalene

>  <Catalog Number> (161)
S1276

>  <Synonyms> (161)
Differin

>  <Target> (161)
Retinoid Receptor

>  <Form> (161)
Free Base

>  <URL> (161)
http://www.selleckchem.com/products/Adapalene.html

>  <CAS Number> (161)
106685-40-9

$$$$
Altretamine.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (162)
162

>  <Formula> (162)
C9H18N6

>  <MolWeight> (162)
210.27942

>  <Item Name> (162)
Altretamine (Hexalen)

>  <Catalog Number> (162)
S1278

>  <Synonyms> (162)
Hexalen

>  <Target> (162)
DNA alkylator

>  <Form> (162)
Free Base

>  <URL> (162)
http://www.selleckchem.com/products/Altretamine.html

>  <CAS Number> (162)
645-05-6

$$$$
Amisulpride.cdx
csChFnd80/10101813032D

 25 26  0  0  0  0  0  0  0  0999 V2000
    4.5510    2.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3214    5.5371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (163)
163

>  <Formula> (163)
C17H27N3O4S

>  <MolWeight> (163)
369.47898

>  <Item Name> (163)
Amisulpride

>  <Catalog Number> (163)
S1280

>  <Synonyms> (163)
Solian

>  <Target> (163)
Dopamine Receptor

>  <Form> (163)
Free Base

>  <URL> (163)
http://www.selleckchem.com/products/Amisulpride.html

>  <CAS Number> (163)
71675-85-9

$$$$
Aniracetam.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.3341    1.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6965    3.2714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3863    3.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728    2.0184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    1.5580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
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  4  7  1  0  0  0  0
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  1  9  1  0  0  0  0
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 15  8  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (164)
164

>  <Formula> (164)
C12H13NO3

>  <MolWeight> (164)
219.23652

>  <Item Name> (164)
Aniracetam

>  <Catalog Number> (164)
S1281

>  <Synonyms> (164)
Draganon, Sarpul, Ampamet

>  <Target> (164)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (164)
Free Base

>  <URL> (164)
http://www.selleckchem.com/products/Aniracetam.html

>  <CAS Number> (164)
72432-10-1

$$$$
Asenapine maleate.cdx
csChFnd80/10101813032D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.7046    8.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    6.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1736    5.8046    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.9878    8.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    9.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    8.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  2  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18  4  1  0  0  0  0
  3 19  1  1  0  0  0
  4 20  1  6  0  0  0
 17 21  1  0  0  0  0
 13 22  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 24  2  0  0  0  0
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (165)
165

>  <Formula> (165)
C21H20ClNO5

>  <MolWeight> (165)
401.8402

>  <Item Name> (165)
Asenapine maleate

>  <Catalog Number> (165)
S1283

>  <Synonyms> (165)
Saphris

>  <Target> (165)
Adrenergic Receptor, 5-HT Receptor

>  <Form> (165)
Maleate

>  <URL> (165)
http://www.selleckchem.com/products/Asenapine.html

>  <CAS Number> (165)
65576-45-6, 135883-08-8 (Maleic acid)

$$$$
Benazepril hydrochloride.cdx
csChFnd80/10101813032D

 32 33  0  0  0  0  0  0  0  0999 V2000
    3.2370    3.6864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3115    6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (166)
166

>  <Formula> (166)
C24H29ClN2O5

>  <MolWeight> (166)
460.95046

>  <Item Name> (166)
Benazepril hydrochloride

>  <Catalog Number> (166)
S1284

>  <Synonyms> (166)
Lotensin

>  <Target> (166)
RAAS

>  <Form> (166)
Hydrochloride

>  <URL> (166)
http://www.selleckchem.com/products/Benazepril-hydrochloride.html

>  <CAS Number> (166)
86541-74-4

$$$$
Budesonide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (167)
167

>  <Formula> (167)
C25H34O6

>  <MolWeight> (167)
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>  <Item Name> (167)
Budesonide

>  <Catalog Number> (167)
S1286

>  <Synonyms> (167)
N/A

>  <Target> (167)
Glucocorticoid Receptor

>  <Form> (167)
Free Base

>  <URL> (167)
http://www.selleckchem.com/products/Budesonide.html

>  <CAS Number> (167)
51333-22-3

$$$$
Bumetanide.cdx
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>  <Mol_ID> (168)
168

>  <Formula> (168)
C17H20N2O5S

>  <MolWeight> (168)
364.4161

>  <Item Name> (168)
Bumetanide

>  <Catalog Number> (168)
S1287

>  <Synonyms> (168)
Bumex

>  <Target> (168)
Others

>  <Form> (168)
Free Base

>  <URL> (168)
http://www.selleckchem.com/products/Bumetanide.html

>  <CAS Number> (168)
28395-03-1

$$$$
Carmofur.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (169)
169

>  <Formula> (169)
C11H16FN3O3

>  <MolWeight> (169)
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>  <Item Name> (169)
Carmofur

>  <Catalog Number> (169)
S1289

>  <Synonyms> (169)
HCFU

>  <Target> (169)
Antimetabolites

>  <Form> (169)
Free Base

>  <URL> (169)
http://www.selleckchem.com/products/Carmofur.html

>  <CAS Number> (169)
61422-45-5

$$$$
Celastrol.cdx
csChFnd80/10101813032D

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450.60962

>  <Item Name> (170)
Celastrol

>  <Catalog Number> (170)
S1290

>  <Synonyms> (170)
N/A

>  <Target> (170)
Proteasome

>  <Form> (170)
Free Base

>  <URL> (170)
http://www.selleckchem.com/products/Celastrol.html

>  <CAS Number> (170)
34157-83-0

$$$$
CETIRIZINE DI HCL.cdx
csChFnd80/10101813032D

 29 29  0  0  0  0  0  0  0  0999 V2000
    9.6727    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6727    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0976    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   20.5594    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 14  8  1  0  0  0  0
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 20  9  1  0  0  0  0
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M  END
>  <Mol_ID> (171)
171

>  <Formula> (171)
C21H27Cl3N2O3

>  <MolWeight> (171)
461.80968

>  <Item Name> (171)
Cetirizine Dihydrochloride

>  <Catalog Number> (171)
S1291

>  <Synonyms> (171)
Zyrtec, Reactine

>  <Target> (171)
Histamine Receptor

>  <Form> (171)
Dihydrochloride

>  <URL> (171)
http://www.selleckchem.com/products/Cetirizine-di-hcl.html

>  <CAS Number> (171)
83881-52-1

$$$$
Cilnidipine.cdx
csChFnd80/10101813032D

 36 38  0  0  0  0  0  0  0  0999 V2000
    7.2494    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5071    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7154    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9236    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  7  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
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 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (172)
172

>  <Formula> (172)
C27H28N2O7

>  <MolWeight> (172)
492.52042

>  <Item Name> (172)
Cilnidipine

>  <Catalog Number> (172)
S1293

>  <Synonyms> (172)
FRC 8653 

>  <Target> (172)
Calcium Channel

>  <Form> (172)
Free Base

>  <URL> (172)
http://www.selleckchem.com/products/Cilnidipine.html

>  <CAS Number> (172)
132203-70-4

$$$$
DIETHYLSTILBESTROL (diethylstilbestrol).cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 12  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (173)
173

>  <Formula> (173)
C18H20O2

>  <MolWeight> (173)
268.3502

>  <Item Name> (173)
Diethylstilbestrol

>  <Catalog Number> (173)
S1859

>  <Synonyms> (173)
Stilbestrol

>  <Target> (173)
Estrogen/progestogen Receptor

>  <Form> (173)
Free Base

>  <URL> (173)
http://www.selleckchem.com/products/Diethylstilbestrol(Stilbestrol).html

>  <CAS Number> (173)
56-53-1

$$$$
Diltiazem HCl.cdx
csChFnd80/10101813032D

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.0318    7.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
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  5  9  1  1  0  0  0
  9 10  2  0  0  0  0
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 11 12  2  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (174)
174

>  <Formula> (174)
C22H27ClN2O4S

>  <MolWeight> (174)
450.97878

>  <Item Name> (174)
Diltiazem HCl

>  <Catalog Number> (174)
S1865

>  <Synonyms> (174)
RG 83606 HCl

>  <Target> (174)
Calcium Channel 

>  <Form> (174)
Hydrochloride

>  <URL> (174)
http://www.selleckchem.com/products/Diltiazem-HCl(Tiazac).html

>  <CAS Number> (174)
33286-22-5 

$$$$
Diphenhydramine hydrochloride.cdx
csChFnd80/10101813032D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.8287    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9843    4.0760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  8 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  8  1  0  0  0  0
M  END
>  <Mol_ID> (175)
175

>  <Formula> (175)
C17H22ClNO

>  <MolWeight> (175)
291.81568

>  <Item Name> (175)
Diphenhydramine HCl (Benadryl)

>  <Catalog Number> (175)
S1866

>  <Synonyms> (175)
Dimedrol

>  <Target> (175)
Histamine Receptor

>  <Form> (175)
Hydrochloride

>  <URL> (175)
http://www.selleckchem.com/products/Diphenhydramine-hydrochloride(Benadryl).html

>  <CAS Number> (175)
147-24-0 

$$$$
Dapoxetine hydrochloride.cdx
csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.8287    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    5.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    6.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    7.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.4785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165   10.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    9.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    8.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0364    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
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 15 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (176)
176

>  <Formula> (176)
C21H24ClNO

>  <MolWeight> (176)
341.87436

>  <Item Name> (176)
Dapoxetine hydrochloride (Priligy)

>  <Catalog Number> (176)
S1869

>  <Synonyms> (176)
Priligy, LY-210448 hydrochloride

>  <Target> (176)
5-HT Receptor

>  <Form> (176)
Hydrochloride

>  <URL> (176)
http://www.selleckchem.com/products/Dapoxetine-hydrochloride(Priligy).html

>  <CAS Number> (176)
129938-20-1

$$$$
Anagrelide hydrochloride.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    1.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6075    3.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 13  9  2  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (177)
177

>  <Formula> (177)
C10H8Cl3N3O

>  <MolWeight> (177)
292.54902

>  <Item Name> (177)
Anagrelide hydrochloride 

>  <Catalog Number> (177)
S3172

>  <Synonyms> (177)
N/A

>  <Target> (177)
PDE

>  <Form> (177)
Hydrochloride 

>  <URL> (177)
http://www.selleckchem.com/products/anagrelide-hydrochloride.html

>  <CAS Number> (177)
58579-51-4

$$$$
Antipyrine.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.1449    1.3981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    2.2791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5586    3.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3190    2.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7961    4.7603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    0.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    2.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    2.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6260    1.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0716    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  3  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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  7 12  2  0  0  0  0
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  5 13  1  0  0  0  0
  1 14  1  0  0  0  0
M  END
>  <Mol_ID> (178)
178

>  <Formula> (178)
C11H12N2O

>  <MolWeight> (178)
188.22578

>  <Item Name> (178)
Antipyrine

>  <Catalog Number> (178)
S3173

>  <Synonyms> (178)
N/A 

>  <Target> (178)
COX

>  <Form> (178)
Free Base

>  <URL> (178)
http://www.selleckchem.com/products/antipyrine.html

>  <CAS Number> (178)
60-80-0

$$$$
Felodipine.cdx
csChFnd80/10101813032D

 25 26  0  0  0  0  0  0  0  0999 V2000
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6289    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8867    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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 14 15  2  0  0  0  0
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 10 24  2  0  0  0  0
 19 25  1  0  0  0  0
M  END
>  <Mol_ID> (179)
179

>  <Formula> (179)
C18H19Cl2NO4

>  <MolWeight> (179)
384.25376

>  <Item Name> (179)
Felodipine (Plendil)

>  <Catalog Number> (179)
S1885

>  <Synonyms> (179)
Renedil, Feloday 

>  <Target> (179)
NULL

>  <Form> (179)
Free Base

>  <URL> (179)
http://www.selleckchem.com/products/Felodipine(Plendil).html

>  <CAS Number> (179)
72509-76-3

$$$$
Deflazacort.cdx
csChFnd80/10101813032D

 36 40  0  0  0  0  0  0  0  0999 V2000
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 14 24  1  1  0  0  0
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M  END
>  <Mol_ID> (180)
180

>  <Formula> (180)
C25H31NO6

>  <MolWeight> (180)
441.51674

>  <Item Name> (180)
Deflazacort (Calcort)

>  <Catalog Number> (180)
S1888

>  <Synonyms> (180)
Cortax, Decortil, Deflanil

>  <Target> (180)
Glucocorticoid Receptor

>  <Form> (180)
Free Base

>  <URL> (180)
http://www.selleckchem.com/products/Deflazacor.html

>  <CAS Number> (180)
14484-47-0

$$$$
Nizatidine.cdx
csChFnd80/10101813032D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (181)
181

>  <Formula> (181)
C12H21N5O2S2

>  <MolWeight> (181)
331.45744

>  <Item Name> (181)
Nizatidine

>  <Catalog Number> (181)
S1890

>  <Synonyms> (181)
Axid

>  <Target> (181)
Histamine Receptor

>  <Form> (181)
Free Base

>  <URL> (181)
http://www.selleckchem.com/products/Nizatidine(Axid).html

>  <CAS Number> (181)
76963-41-2

$$$$
Dyclonine hydrochloride.cdx
csChFnd80/10101813032D

 22 22  0  0  0  0  0  0  0  0999 V2000
    6.0411    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C18H28ClNO2

>  <MolWeight> (182)
325.87342

>  <Item Name> (182)
Dyclonine hydrochloride

>  <Catalog Number> (182)
S2041

>  <Synonyms> (182)
N/A

>  <Target> (182)
Sodium Channel

>  <Form> (182)
Hydrochloride

>  <URL> (182)
http://www.selleckchem.com/products/dyclonine-hydrochloride.html

>  <CAS Number> (182)
536-43-6

$$$$
CARBILEV (carbidopa).cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C10H14N2O4

>  <MolWeight> (183)
226.22916

>  <Item Name> (183)
Carbidopa

>  <Catalog Number> (183)
S1891

>  <Synonyms> (183)
Lodosyn

>  <Target> (183)
Decarboxylase

>  <Form> (183)
Free Base

>  <URL> (183)
http://www.selleckchem.com/products/Carbidopa.html

>  <CAS Number> (183)
28860-95-9

$$$$
VALSARTAN (valsartan).cdx
csChFnd80/10101813032D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 33 29  2  0  0  0  0
M  END
>  <Mol_ID> (184)
184

>  <Formula> (184)
C24H29N5O3

>  <MolWeight> (184)
435.51876

>  <Item Name> (184)
Valsartan (Diovan)

>  <Catalog Number> (184)
S1894

>  <Synonyms> (184)
N/A 

>  <Target> (184)
RAAS

>  <Form> (184)
Free Base

>  <URL> (184)
http://www.selleckchem.com/products/Valsartan(Diovan).html

>  <CAS Number> (184)
137862-53-4

$$$$

csChFnd80/10101813032D

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M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C24H40N8O4

>  <MolWeight> (185)
504.6256

>  <Item Name> (185)
Dipyridamole (Persantine)

>  <Catalog Number> (185)
S1895

>  <Synonyms> (185)
Permole

>  <Target> (185)
PDE

>  <Form> (185)
Free Base

>  <URL> (185)
http://www.selleckchem.com/products/Dipyridamole(Permole,-Persantine).html

>  <CAS Number> (185)
58-32-2

$$$$
Hydroxyurea.cdx
csChFnd80/10101813032D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
M  END
>  <Mol_ID> (186)
186

>  <Formula> (186)
CH4N2O2

>  <MolWeight> (186)
76.05466

>  <Item Name> (186)
Hydroxyurea (Cytodrox)

>  <Catalog Number> (186)
S1896

>  <Synonyms> (186)
Hydrea, Biosupressin

>  <Target> (186)
DNA/RNA Synthesis

>  <Form> (186)
Free Base

>  <URL> (186)
http://www.selleckchem.com/products/Hydroxyurea(Cytodrox).html

>  <CAS Number> (186)
127-07-1

$$$$
IOSAT (potassium iodide).cdx
csChFnd80/10101813032D

  2  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
M  END
>  <Mol_ID> (187)
187

>  <Formula> (187)
IK

>  <MolWeight> (187)
166.00277

>  <Item Name> (187)
Potassium iodide

>  <Catalog Number> (187)
S1897

>  <Synonyms> (187)
N/A 

>  <Target> (187)
Others

>  <Form> (187)
Inorganic salt

>  <URL> (187)
http://www.selleckchem.com/products/Potassium-iodide.html

>  <CAS Number> (187)
7681-11-0

$$$$
Tropisetron hydrochloride.cdx
csChFnd80/10101813032D

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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <Mol_ID> (188)
188

>  <Formula> (188)
C17H21ClN2O2

>  <MolWeight> (188)
320.81384

>  <Item Name> (188)
Tropisetron HCl

>  <Catalog Number> (188)
S1898

>  <Synonyms> (188)
Navoban

>  <Target> (188)
5-HT Receptor

>  <Form> (188)
Hydrochloride

>  <URL> (188)
http://www.selleckchem.com/products/Tropisetron-hydrochloride.html

>  <CAS Number> (188)
105826-92-4 

$$$$
Nicotinamide.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
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    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (189)
189

>  <Formula> (189)
C6H6N2O

>  <MolWeight> (189)
122.12464

>  <Item Name> (189)
Nicotinamide (Vitamin B3)

>  <Catalog Number> (189)
S1899

>  <Synonyms> (189)
Niacinamide

>  <Target> (189)
Sirtuin

>  <Form> (189)
Free Base

>  <URL> (189)
http://www.selleckchem.com/products/Nicotinamide(Niacinamide).html

>  <CAS Number> (189)
98-92-0

$$$$
Vitamin B12.cdx
csChFnd80/10101813032D

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 41 43  2  0  0  0  0
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 59 60  1  0  0  0  0
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  1 76  1  1  0  0  0
 76 77  1  0  0  0  0
 77 78  1  0  0  0  0
 77 79  2  0  0  0  0
  5 80  1  1  0  0  0
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 82 83  1  0  0  0  0
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 87 88  1  0  0  0  0
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 93 94  3  0  0  0  0
M  END
>  <Mol_ID> (190)
190

>  <Formula> (190)
C63H88CoN14O14P

>  <MolWeight> (190)
1355.365181

>  <Item Name> (190)
Vitamin B12

>  <Catalog Number> (190)
S1902

>  <Synonyms> (190)
Cobalamin, vitamin B-12, Cyanocobalamin 

>  <Target> (190)
Vitamin

>  <Form> (190)
Free Base

>  <URL> (190)
http://www.selleckchem.com/products/Vitamin-B12.html

>  <CAS Number> (190)
68-19-9

$$$$
ARTHROTEC (diclofenac sodium).cdx
csChFnd80/10101813032D

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125    3.3493    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (191)
191

>  <Formula> (191)
C14H10Cl2NNaO2

>  <MolWeight> (191)
318.13047

>  <Item Name> (191)
Diclofenac Sodium

>  <Catalog Number> (191)
S1903

>  <Synonyms> (191)
GP 45840

>  <Target> (191)
COX

>  <Form> (191)
Sodium Salt 

>  <URL> (191)
http://www.selleckchem.com/products/Diclofenac-sodium.html

>  <CAS Number> (191)
15307-79-6

$$$$
FLAGYL (metronidazole).cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4595    3.1099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    1.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    3.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    5.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    5.2643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    3.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9190    3.5017    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2090    2.1371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9558    4.4353    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1072    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7461    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (192)
192

>  <Formula> (192)
C6H9N3O3

>  <MolWeight> (192)
171.15396

>  <Item Name> (192)
Metronidazole (Flagyl)

>  <Catalog Number> (192)
S1907

>  <Synonyms> (192)
Nidagyl, Mepagyl, Anagiardil, Bayer 5360, NSC 50364, NSC69587 

>  <Target> (192)
DNA/RNA Synthesis

>  <Form> (192)
Free Base

>  <URL> (192)
http://www.selleckchem.com/products/Metronidazole(Flagyl).html

>  <CAS Number> (192)
443-48-1

$$$$
Flutamide .cdx
csChFnd80/10101813032D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.4291    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2049    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2167    5.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.5049    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (193)
193

>  <Formula> (193)
C11H11F3N2O3

>  <MolWeight> (193)
276.2118496

>  <Item Name> (193)
Flutamide (Eulexin)

>  <Catalog Number> (193)
S1908

>  <Synonyms> (193)
Flutamin, Drogenil 

>  <Target> (193)
P450

>  <Form> (193)
Free Base

>  <URL> (193)
http://www.selleckchem.com/products/Flutamide(Eulexin).html

>  <CAS Number> (193)
13311-84-7

$$$$
FLUVASTATIN SODIUM.cdx
csChFnd80/10101813032D

 31 32  0  0  0  0  0  0  0  0999 V2000
    2.8000    3.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    3.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    5.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2062    2.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7467    7.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7835    8.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4199    7.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9151    1.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9555    0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2870    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781    2.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5377    3.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3238    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5240    5.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9404    5.8305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1487    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3569    5.8305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5651    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7733    5.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9404    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3569    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9816    5.1330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.1940    5.8330    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.7733    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 10  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 27  1  1  0  0  0
 24 28  1  1  0  0  0
 26 29  1  0  0  0  0
 26 31  2  0  0  0  0
M  END
>  <Mol_ID> (194)
194

>  <Formula> (194)
C24H25FNNaO4

>  <MolWeight> (194)
433.4477732

>  <Item Name> (194)
Fluvastatin sodium (Lescol)

>  <Catalog Number> (194)
S1909

>  <Synonyms> (194)
Vastin

>  <Target> (194)
HMG-CoA Reductase

>  <Form> (194)
Sodium

>  <URL> (194)
http://www.selleckchem.com/products/Fluvastatin-Sodium(Lescol).htm

>  <CAS Number> (194)
93957-55-2

$$$$
GANTANOL (sulfamethoxazole).cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7735    4.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4041    4.1899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8610    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
  8 15  2  0  0  0  0
  8 16  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (195)
195

>  <Formula> (195)
C10H11N3O3S

>  <MolWeight> (195)
253.27764

>  <Item Name> (195)
Sulfamethoxazole

>  <Catalog Number> (195)
S1915

>  <Synonyms> (195)
Gantanol

>  <Target> (195)
Antifection

>  <Form> (195)
Free Base

>  <URL> (195)
http://www.selleckchem.com/products/Sulfamethoxazole.html

>  <CAS Number> (195)
723-46-6

$$$$
GANTRISIN (sulfisoxazole).cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 12 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (196)
196

>  <Formula> (196)
C11H13N3O3S

>  <MolWeight> (196)
267.30422

>  <Item Name> (196)
Sulfisoxazole

>  <Catalog Number> (196)
S1916

>  <Synonyms> (196)
Sulfafurazole, Gantrisin Pediatric

>  <Target> (196)
Antifection

>  <Form> (196)
Free Base

>  <URL> (196)
http://www.selleckchem.com/products/Sulfisoxazole.html

>  <CAS Number> (196)
127-69-5

$$$$

csChFnd80/10101813032D

 29 30  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  9  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  2  0  0  0  0
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 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C25H30ClN3

>  <MolWeight> (197)
407.9788

>  <Item Name> (197)
Crystal violet 

>  <Catalog Number> (197)
S1917

>  <Synonyms> (197)
Gentian violet, Hexamethyl pararosaniline chloride 

>  <Target> (197)
Others

>  <Form> (197)
quaternary-N chloride salt

>  <URL> (197)
http://www.selleckchem.com/products/Crystal-violet.html

>  <CAS Number> (197)
548-62-9

$$$$
HALDOL (haloperidol).cdx
csChFnd80/10101813032D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  4  8  1  0  0  0  0
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 10 11  1  0  0  0  0
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 18 13  1  0  0  0  0
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 16 20  1  0  0  0  0
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 25 19  1  0  0  0  0
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M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C21H23ClFNO2

>  <MolWeight> (198)
375.8642232

>  <Item Name> (198)
Haloperidol (Haldol)

>  <Catalog Number> (198)
S1920

>  <Synonyms> (198)
Aloperidin, Bioperidolo, Brotopon, Dozic, Duraperidol, Einalon S

>  <Target> (198)
Dopamine Receptor

>  <Form> (198)
Free Base

>  <URL> (198)
http://www.selleckchem.com/products/Haloperidol(Haldol).html

>  <CAS Number> (198)
52-86-8

$$$$
HEDULIN (phenindione).cdx
csChFnd80/10101813032D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C15H10O2

>  <MolWeight> (199)
222.2387

>  <Item Name> (199)
Phenindione (Rectadione)

>  <Catalog Number> (199)
S1921

>  <Synonyms> (199)
Dindevan, Rectadione

>  <Target> (199)
Vitamin

>  <Form> (199)
Free Base

>  <URL> (199)
http://www.selleckchem.com/products/Phenindione(Rectadione).html

>  <CAS Number> (199)
83-12-5

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
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 14 21  1  1  0  0  0
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 17 23  1  1  0  0  0
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 16 26  1  6  0  0  0
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 23 28  1  0  0  0  0
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M  END
>  <Mol_ID> (200)
200

>  <Formula> (200)
C21H27FO6

>  <MolWeight> (200)
394.4338832

>  <Item Name> (200)
Triamcinolone (Aristocort)

>  <Catalog Number> (200)
S1933

>  <Synonyms> (200)
N/A

>  <Target> (200)
Glucocorticoid Receptor

>  <Form> (200)
Free Base

>  <URL> (200)
http://www.selleckchem.com/products/Triamcinolone(Aristocort).html

>  <CAS Number> (200)
124-94-7

$$$$
Azilsartan MedoxoMil.cdx
csChFnd80/10101813032D

 42 47  0  0  0  0  0  0  0  0999 V2000
   10.1373    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7046    1.0404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4687    2.8045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8406    2.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0046    4.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6419    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4295    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8985    5.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8581    4.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045    3.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  3  6  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  9 10  1  0  0  0  0
 14 15  1  0  0  0  0
 13 14  1  0  0  0  0
  1 13  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 28  2  0  0  0  0
 17 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  2  0  0  0  0
 24 31  1  0  0  0  0
 16 20  1  0  0  0  0
  5 16  1  0  0  0  0
 36 37  1  0  0  0  0
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 39 40  2  0  0  0  0
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 40 42  1  0  0  0  0
 35 39  1  0  0  0  0
 12 35  1  0  0  0  0
M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
C30H24N4O8

>  <MolWeight> (201)
568.53356

>  <Item Name> (201)
Azilsartan Medoxomil (TAK-491)

>  <Catalog Number> (201)
S3057

>  <Synonyms> (201)
N/A

>  <Target> (201)
RAAS

>  <Form> (201)
Free Base

>  <URL> (201)
http://www.selleckchem.com/products/azilsartan-medoxomil-tak-491.html

>  <CAS Number> (201)
863031-21-4

$$$$
Medetomidine hcl.cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.9215    4.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8491    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6230    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5346    4.8871    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1318    1.5236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796    2.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0258    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9215    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7271    4.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6952    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6204    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
 10  1  1  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  8  2  2  0  0  0  0
  7  3  2  0  0  0  0
  9  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
 15  9  1  0  0  0  0
  9 14  2  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (202)
202

>  <Formula> (202)
C13H17ClN2

>  <MolWeight> (202)
236.74048

>  <Item Name> (202)
Medetomidine HCl

>  <Catalog Number> (202)
S3060

>  <Synonyms> (202)
N/A

>  <Target> (202)
Adrenergic Receptor

>  <Form> (202)
HCl

>  <URL> (202)
http://www.selleckchem.com/products/medetomidine-hcl.html

>  <CAS Number> (202)
86347-15-1

$$$$
Prucalopride.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4288    8.4185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341    9.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288    7.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341   10.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2236    9.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288   11.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2236   10.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341    6.3184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0037    8.6924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2236    6.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6341    4.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  1  2  0  0  0  0
  4  2  2  0  0  0  0
 10  2  1  0  0  0  0
  8  3  1  0  0  0  0
 11  3  2  0  0  0  0
 19  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  6  7  2  0  0  0  0
 13  6  1  0  0  0  0
 18  7  1  0  0  0  0
 12  8  1  0  0  0  0
  9 17  1  0  0  0  0
 21  9  1  0  0  0  0
  9 16  1  0  0  0  0
 20 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 20 19  1  0  0  0  0
 22 21  1  0  0  0  0
 24 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (203)
203

>  <Formula> (203)
C18H26ClN3O3

>  <MolWeight> (203)
367.87034

>  <Item Name> (203)
Prucalopride

>  <Catalog Number> (203)
S2875

>  <Synonyms> (203)
N/A

>  <Target> (203)
5-HT Receptor

>  <Form> (203)
Free Base

>  <URL> (203)
http://www.selleckchem.com/products/prucalopride.html

>  <CAS Number> (203)
179474-81-8

$$$$
Cilostazol.cdx
csChFnd80/10101813032D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.5321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    5.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5231    4.1611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5863    5.2015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4169    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0854    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0450    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3361    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6676    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7080    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (204)
204

>  <Formula> (204)
C20H27N5O2

>  <MolWeight> (204)
369.46068

>  <Item Name> (204)
Cilostazol

>  <Catalog Number> (204)
S1294

>  <Synonyms> (204)
Pletal

>  <Target> (204)
PDE

>  <Form> (204)
Free Base

>  <URL> (204)
http://www.selleckchem.com/products/Cilostazol.html

>  <CAS Number> (204)
73963-72-1

$$$$
Epothilone A.cdx
csChFnd80/10101813032D

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    3.9326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (205)
205

>  <Formula> (205)
C26H39NO6S

>  <MolWeight> (205)
493.65596

>  <Item Name> (205)
Epothilone A

>  <Catalog Number> (205)
S1297

>  <Synonyms> (205)
N/A

>  <Target> (205)
Microtubule Associated

>  <Form> (205)
Free Base

>  <URL> (205)
http://www.selleckchem.com/products/Epothilone-A.html

>  <CAS Number> (205)
152044-53-6

$$$$
Floxuridine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (206)
206

>  <Formula> (206)
C9H11FN2O5

>  <MolWeight> (206)
246.1924432

>  <Item Name> (206)
Floxuridine

>  <Catalog Number> (206)
S1299

>  <Synonyms> (206)
Fludara, Fluorodeoxyuridine, FUDR, FdUrd, Floxuridin, FAMP 

>  <Target> (206)
DNA/RNA Synthesis

>  <Form> (206)
Free Base

>  <URL> (206)
http://www.selleckchem.com/products/Floxuridine.html

>  <CAS Number> (206)
50-91-9

$$$$
Ftorafur.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C8H9FN2O3

>  <MolWeight> (207)
200.1670632

>  <Item Name> (207)
Tegafur (FT-207, NSC 148958)

>  <Catalog Number> (207)
S1300

>  <Synonyms> (207)
N/A

>  <Target> (207)
DNA/RNA Synthesis

>  <Form> (207)
Free Base

>  <URL> (207)
http://www.selleckchem.com/products/Ftorafur.html

>  <CAS Number> (207)
17902-23-7

$$$$
1.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (208)
208

>  <Formula> (208)
C18H16F2N4O2S

>  <MolWeight> (208)
390.4070464

>  <Item Name> (208)
LY2886721

>  <Catalog Number> (208)
S2156

>  <Synonyms> (208)
N/A 

>  <Target> (208)
BACE

>  <Form> (208)
Free Base

>  <URL> (208)
http://www.selleckchem.com/products/LY-2886721.html

>  <CAS Number> (208)
1262036-50-9

$$$$
Ifosfamide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (209)
209

>  <Formula> (209)
C7H15Cl2N2O2P

>  <MolWeight> (209)
261.085961

>  <Item Name> (209)
Ifosfamide

>  <Catalog Number> (209)
S1302

>  <Synonyms> (209)
Mitoxana, Ifex

>  <Target> (209)
DNA/RNA Synthesis

>  <Form> (209)
Free Base

>  <URL> (209)
http://www.selleckchem.com/products/Ifosfamide.html

>  <CAS Number> (209)
3778-73-2

$$$$
Megestrol Acetate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (210)
210

>  <Formula> (210)
C24H32O4

>  <MolWeight> (210)
384.50848

>  <Item Name> (210)
Megestrol Acetate

>  <Catalog Number> (210)
S1304

>  <Synonyms> (210)
Megace, Megace ES

>  <Target> (210)
Androgen Receptor

>  <Form> (210)
Free Base

>  <URL> (210)
http://www.selleckchem.com/products/Megestrol-Acetate.html

>  <CAS Number> (210)
595-33-5

$$$$
Mercaptopurine.cdx
csChFnd80/10101813032D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (211)
211

>  <Formula> (211)
C5H4N4S

>  <MolWeight> (211)
152.17706

>  <Item Name> (211)
Mercaptopurine (6-MP)

>  <Catalog Number> (211)
S1305

>  <Synonyms> (211)
N/A

>  <Target> (211)
DNA/RNA Synthesis 

>  <Form> (211)
Free Base

>  <URL> (211)
http://www.selleckchem.com/products/Mercaptopurine.html

>  <CAS Number> (211)
50-44-2

$$$$
Streptozocin.cdx
csChFnd80/10101813032D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (212)
212

>  <Formula> (212)
C8H15N3O7

>  <MolWeight> (212)
265.2206

>  <Item Name> (212)
Streptozotocin (STZ)

>  <Catalog Number> (212)
S1312

>  <Synonyms> (212)
NSC-85998

>  <Target> (212)
DNA alkylator

>  <Form> (212)
Free Base

>  <URL> (212)
http://www.selleckchem.com/products/Streptozotocin.html

>  <CAS Number> (212)
18883-66-4

$$$$
ki16425.cdx
csChFnd80/10101813032D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.8044    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C23H23ClN2O5S

>  <MolWeight> (213)
474.95712

>  <Item Name> (213)
Ki16425

>  <Catalog Number> (213)
S1315

>  <Synonyms> (213)
N/A

>  <Target> (213)
LPA Receptor

>  <Form> (213)
Free Base

>  <URL> (213)
http://www.selleckchem.com/products/Ki16425.html

>  <CAS Number> (213)
355025-24-0 

$$$$
Alizarin.cdx
csChFnd80/10101813032D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (214)
214

>  <Formula> (214)
C14H8O4

>  <MolWeight> (214)
240.21092

>  <Item Name> (214)
Alizarin

>  <Catalog Number> (214)
S2526

>  <Synonyms> (214)
Anthraquinonic

>  <Target> (214)
P450 (e.g. CYP17)

>  <Form> (214)
Free Base

>  <URL> (214)
http://www.selleckchem.com/products/Alizarin.html

>  <CAS Number> (214)
72-48-0

$$$$
Costunolide.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C15H20O2

>  <MolWeight> (215)
232.3181

>  <Item Name> (215)
Costunolide

>  <Catalog Number> (215)
S1319

>  <Synonyms> (215)
N/A

>  <Target> (215)
Telomerase

>  <Form> (215)
Free Base

>  <URL> (215)
http://www.selleckchem.com/products/Costunolide.html

>  <CAS Number> (215)
553-21-9

$$$$
Dexamethasone.cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (216)
216

>  <Formula> (216)
C22H29FO5

>  <MolWeight> (216)
392.4610632

>  <Item Name> (216)
Dexamethasone

>  <Catalog Number> (216)
S1322

>  <Synonyms> (216)
Decadron

>  <Target> (216)
IL Receptor

>  <Form> (216)
Free Base

>  <URL> (216)
http://www.selleckchem.com/products/Dexamethasone.html

>  <CAS Number> (216)
50-02-2

$$$$
Doxazosin mesylate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (217)
217

>  <Formula> (217)
C24H29N5O8S

>  <MolWeight> (217)
547.58076

>  <Item Name> (217)
Doxazosin mesylate

>  <Catalog Number> (217)
S1324

>  <Synonyms> (217)
Cardura, Carduran 

>  <Target> (217)
Adrenergic Receptor

>  <Form> (217)
Mesylate

>  <URL> (217)
http://www.selleckchem.com/products/Doxazosin-mesylate.html

>  <CAS Number> (217)
77883-43-3

$$$$
Etodolac.cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C17H21NO3

>  <MolWeight> (218)
287.35354

>  <Item Name> (218)
Etodolac (Lodine)

>  <Catalog Number> (218)
S1328

>  <Synonyms> (218)
Lodine, Lodine XL

>  <Target> (218)
COX
COX

>  <Form> (218)
Free Base

>  <URL> (218)
http://www.selleckchem.com/products/Etodolac.html

>  <CAS Number> (218)
41340-25-4

$$$$
Etomidate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (219)
219

>  <Formula> (219)
C14H16N2O2

>  <MolWeight> (219)
244.28904

>  <Item Name> (219)
Etomidate

>  <Catalog Number> (219)
S1329

>  <Synonyms> (219)
Amidate

>  <Target> (219)
GABA Receptor

>  <Form> (219)
Free Base

>  <URL> (219)
http://www.selleckchem.com/products/Etomidate.html

>  <CAS Number> (219)
33125-97-2

$$$$
Fluconazole.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (220)
220

>  <Formula> (220)
C13H12F2N6O

>  <MolWeight> (220)
306.2707864

>  <Item Name> (220)
Fluconazole

>  <Catalog Number> (220)
S1331

>  <Synonyms> (220)
UK 49858

>  <Target> (220)
P450 (e.g. CYP17)

>  <Form> (220)
Free Base

>  <URL> (220)
http://www.selleckchem.com/products/Fluconazole.html

>  <CAS Number> (220)
86386-73-4

$$$$
Flumazenil.cdx
csChFnd80/10101813032D

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    8.7866    6.7872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0032    4.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3927    4.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1958    3.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
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 10 13  2  0  0  0  0
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  7 16  2  0  0  0  0
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M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C15H14FN3O3

>  <MolWeight> (221)
303.2883632

>  <Item Name> (221)
Flumazenil

>  <Catalog Number> (221)
S1332

>  <Synonyms> (221)
Flumazepil, Ro 15-1788, Anexate, Lanexat, Mazicon, Roma

>  <Target> (221)
GABA Receptor

>  <Form> (221)
Free Base

>  <URL> (221)
http://www.selleckchem.com/products/Flumazenil.html

>  <CAS Number> (221)
78755-81-4

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/10101813032D

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 10 15  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C17H19ClF3NO

>  <MolWeight> (222)
345.7870696

>  <Item Name> (222)
Fluoxetine  HCl

>  <Catalog Number> (222)
S1333

>  <Synonyms> (222)
Prozac, Sarafem

>  <Target> (222)
5-HT Receptor

>  <Form> (222)
Hydrochloride

>  <URL> (222)
http://www.selleckchem.com/products/Fluoxetine-hydrochloride.html

>  <CAS Number> (222)
56296-78-7

$$$$
Flupirtine maleate.cdx
csChFnd80/10101813032D

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5781    2.4710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 27  2  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C19H21FN4O6

>  <MolWeight> (223)
420.3916432

>  <Item Name> (223)
Flupirtine maleate

>  <Catalog Number> (223)
S1334

>  <Synonyms> (223)
Katadolon

>  <Target> (223)
Antimetabolites

>  <Form> (223)
Maleate

>  <URL> (223)
http://www.selleckchem.com/products/Flupirtine-maleate.html

>  <CAS Number> (223)
75507-68-5

$$$$
Gatifloxacin.cdx
csChFnd80/10101813032D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.8455    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
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 10  5  1  0  0  0  0
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 12  2  1  0  0  0  0
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 13 14  1  0  0  0  0
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 26 11  1  0  0  0  0
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M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C19H22FN3O4

>  <MolWeight> (224)
375.3940832

>  <Item Name> (224)
Gatifloxacin

>  <Catalog Number> (224)
S1340

>  <Synonyms> (224)
AM-1155, CG5501, BMS-206584

>  <Target> (224)
Topoisomerase

>  <Form> (224)
Free Base

>  <URL> (224)
http://www.selleckchem.com/products/Gatifloxacin.html

>  <CAS Number> (224)
112811-59-3

$$$$
Genistein.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
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 17 12  1  0  0  0  0
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  1 19  1  0  0  0  0
  5 20  1  0  0  0  0
M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C15H10O5

>  <MolWeight> (225)
270.2369

>  <Item Name> (225)
Genistein

>  <Catalog Number> (225)
S1342

>  <Synonyms> (225)
N/A

>  <Target> (225)
Topoisomerase
EGFR

>  <Form> (225)
Free Base

>  <URL> (225)
http://www.selleckchem.com/products/Genistein.html

>  <CAS Number> (225)
446-72-0

$$$$
Ginkgolide B.cdx
csChFnd80/10101813032D

 32 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (226)
226

>  <Formula> (226)
C20H24O10

>  <MolWeight> (226)
424.39856

>  <Item Name> (226)
Ginkgolide B

>  <Catalog Number> (226)
S1343

>  <Synonyms> (226)
BN 52021 

>  <Target> (226)
PAFR

>  <Form> (226)
Free Base

>  <URL> (226)
http://www.selleckchem.com/products/Ginkgolide-B.html

>  <CAS Number> (226)
15291-77-7

$$$$
Glimepiride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (227)
227

>  <Formula> (227)
C24H34N4O5S

>  <MolWeight> (227)
490.61556

>  <Item Name> (227)
Glimepiride

>  <Catalog Number> (227)
S1344

>  <Synonyms> (227)
Amaryl, Glista OD

>  <Target> (227)
DPP-4

>  <Form> (227)
Free Base

>  <URL> (227)
http://www.selleckchem.com/products/Glimepiride.html

>  <CAS Number> (227)
93479-97-1

$$$$
TG100-115.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (228)
228

>  <Formula> (228)
C18H14N6O2

>  <MolWeight> (228)
346.34276

>  <Item Name> (228)
TG100-115

>  <Catalog Number> (228)
S1352

>  <Synonyms> (228)
N/A

>  <Target> (228)
PI3K

>  <Form> (228)
Free Base

>  <URL> (228)
http://www.selleckchem.com/products/TG100-115.html

>  <CAS Number> (228)
677297-51-7

$$$$
Lansoprazole.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (229)
229

>  <Formula> (229)
C16H14F3N3O2S

>  <MolWeight> (229)
369.3614696

>  <Item Name> (229)
Lansoprazole

>  <Catalog Number> (229)
S1354

>  <Synonyms> (229)
Prevacid, Prevacid NapraPAC, Prevacid SoluTab

>  <Target> (229)
Proton Pump

>  <Form> (229)
Free Base

>  <URL> (229)
http://www.selleckchem.com/products/Lansoprazole.html

>  <CAS Number> (229)
103577-45-3

$$$$
Levetiracetam.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (230)
230

>  <Formula> (230)
C8H14N2O2

>  <MolWeight> (230)
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>  <Item Name> (230)
Levetiracetam

>  <Catalog Number> (230)
S1356

>  <Synonyms> (230)
UCB-L059, SIB-S1

>  <Target> (230)
Calcium Channel

>  <Form> (230)
Free Base

>  <URL> (230)
http://www.selleckchem.com/products/Levetiracetam.html

>  <CAS Number> (230)
102767-28-2

$$$$
Loratadine(Alavert, Claritin).cdx
csChFnd80/10101813032D

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875337-44-3

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PLK

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Sodium Salt

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1225497-78-8

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235

>  <Formula> (235)
C27H41NO6S

>  <MolWeight> (235)
507.68254

>  <Item Name> (235)
Patupilone (EPO906, Epothilone B)

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S1364

>  <Synonyms> (235)
N/A 

>  <Target> (235)
Microtubule Associated

>  <Form> (235)
Free Base

>  <URL> (235)
http://www.selleckchem.com/products/Epothilone-B.html

>  <CAS Number> (235)
152044-54-7

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (236)
236

>  <Formula> (236)
C22H19Cl3N8

>  <MolWeight> (236)
501.79886

>  <Item Name> (236)
CHIR-99021 (CT99021) HCl

>  <Catalog Number> (236)
S2924

>  <Synonyms> (236)
N/A

>  <Target> (236)
PI3K/Akt/mTOR

>  <Form> (236)
Hydrochloride

>  <URL> (236)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

>  <CAS Number> (236)
252917-06-9 (free base)

$$$$
BMS707035.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (237)
237

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BMS-707035

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S1366

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N/A

>  <Target> (237)
Integrase

>  <Form> (237)
Free Base

>  <URL> (237)
http://www.selleckchem.com/products/BMS-707035.html

>  <CAS Number> (237)
729607-74-3

$$$$
Amonafide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (238)
238

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C16H17N3O2

>  <MolWeight> (238)
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>  <Item Name> (238)
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S1367

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AS1413, Xanafide, Quinamed

>  <Target> (238)
Topoisomerase

>  <Form> (238)
Free Base

>  <URL> (238)
http://www.selleckchem.com/products/Amonafide.html

>  <CAS Number> (238)
69408-81-7

$$$$
Acitretin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (239)
239

>  <Formula> (239)
C21H26O3

>  <MolWeight> (239)
326.42934

>  <Item Name> (239)
Acitretin

>  <Catalog Number> (239)
S1368

>  <Synonyms> (239)
Etretin, RO 10-1670

>  <Target> (239)
Retinoid Receptor

>  <Form> (239)
Free Base

>  <URL> (239)
http://www.selleckchem.com/products/Acitretin.html

>  <CAS Number> (239)
55079-83-9

$$$$
Gestodene.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (240)
240

>  <Formula> (240)
C21H26O2

>  <MolWeight> (240)
310.42994

>  <Item Name> (240)
Gestodene

>  <Catalog Number> (240)
S1376

>  <Synonyms> (240)
N/A

>  <Target> (240)
Estrogen/progestogen Receptor

>  <Form> (240)
Free Base

>  <URL> (240)
http://www.selleckchem.com/products/Gestodene.html

>  <CAS Number> (240)
60282-87-3

$$$$
Drospirenone.cdx
csChFnd80/10101813032D

 34 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (241)
241

>  <Formula> (241)
C24H30O3

>  <MolWeight> (241)
366.4932

>  <Item Name> (241)
Drospirenone

>  <Catalog Number> (241)
S1377

>  <Synonyms> (241)
Angeliq

>  <Target> (241)
Estrogen/progestogen Receptor

>  <Form> (241)
Free Base

>  <URL> (241)
http://www.selleckchem.com/products/Drospirenone.html

>  <CAS Number> (241)
67392-87-4

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (242)
242

>  <Formula> (242)
C37H48N4O5

>  <MolWeight> (242)
628.80082

>  <Item Name> (242)
Lopinavir (ABT-378)

>  <Catalog Number> (242)
S1380

>  <Synonyms> (242)
ABT-378

>  <Target> (242)
HIV Protease

>  <Form> (242)
Free Base

>  <URL> (242)
http://www.selleckchem.com/products/Lopinavir.html

>  <CAS Number> (242)
192725-17-0

$$$$
Meropenem.cdx
csChFnd80/10101813032D

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  1  2  1  0  0  0  0
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 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (243)
243

>  <Formula> (243)
C17H25N3O5S

>  <MolWeight> (243)
383.4625

>  <Item Name> (243)
Meropenem

>  <Catalog Number> (243)
S1381

>  <Synonyms> (243)
SM 7338

>  <Target> (243)
Antifection

>  <Form> (243)
Free Base

>  <URL> (243)
http://www.selleckchem.com/products/Meropenem.html

>  <CAS Number> (243)
96036-03-2

$$$$
Mianserin hydrochloride.cdx
csChFnd80/10101813032D

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 15  3  1  0  0  0  0
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 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (244)
244

>  <Formula> (244)
C18H21ClN2

>  <MolWeight> (244)
300.82574

>  <Item Name> (244)
Mianserin HCl

>  <Catalog Number> (244)
S1382

>  <Synonyms> (244)
ORG GB-94 HCl

>  <Target> (244)
Histamine Receptor(HT receptor)

>  <Form> (244)
Hydrochloride

>  <URL> (244)
http://www.selleckchem.com/products/Mianserin-hydrochloride.html

>  <CAS Number> (244)
21535-47-7

$$$$
Mosapride citrate.cdx
csChFnd80/10101813032D

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    4.8413   10.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (245)
245

>  <Formula> (245)
C27H33ClFN3O10

>  <MolWeight> (245)
614.0164232

>  <Item Name> (245)
Mosapride citrate

>  <Catalog Number> (245)
S1385

>  <Synonyms> (245)
TAK-370, AS-4370, Gasmot

>  <Target> (245)
5-HT Receptor

>  <Form> (245)
Citrate

>  <URL> (245)
http://www.selleckchem.com/products/Mosapride-citrate.html

>  <CAS Number> (245)
112885-42-4

$$$$
Nafamostat mesylate.cdx
csChFnd80/10101813032D

 36 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (246)
246

>  <Formula> (246)
C21H25N5O8S2

>  <MolWeight> (246)
539.5819

>  <Item Name> (246)
Nafamostat mesylate

>  <Catalog Number> (246)
S1386

>  <Synonyms> (246)
Futhan, FUT-175

>  <Target> (246)
Proteasome

>  <Form> (246)
Dimesylate

>  <URL> (246)
http://www.selleckchem.com/products/Nafamostat-mesylate.html

>  <CAS Number> (246)
82956-11-4

$$$$
Naftopidil.cdx
csChFnd80/10101813032D

 31 32  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
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 27 22  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (247)
247

>  <Formula> (247)
C24H30Cl2N2O3

>  <MolWeight> (247)
465.4126

>  <Item Name> (247)
Naftopidil Dihydrochloride

>  <Catalog Number> (247)
S1387

>  <Synonyms> (247)
Flivas, KT-611, Avishot 

>  <Target> (247)
Adrenergic Receptor

>  <Form> (247)
Dihydrochloride

>  <URL> (247)
http://www.selleckchem.com/products/Naftopidil-Dihydrochloride.html

>  <CAS Number> (247)
57149-08-3

$$$$
Omeprazole.cdx
csChFnd80/10101813032D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   10.4860    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6787    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6763    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 20 15  1  0  0  0  0
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (248)
248

>  <Formula> (248)
C17H19N3O3S

>  <MolWeight> (248)
345.41606

>  <Item Name> (248)
Omeprazole (Prilosec)

>  <Catalog Number> (248)
S1389

>  <Synonyms> (248)
Losec, Omesec, Prilosec, Zegerid

>  <Target> (248)
Proton Pump, ATPase

>  <Form> (248)
Free Base

>  <URL> (248)
http://www.selleckchem.com/products/Omeprazole.html

>  <CAS Number> (248)
73590-58-6

$$$$
Ondansetron hydrochloride.cdx
csChFnd80/10101813032D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (249)
249

>  <Formula> (249)
C18H20ClN3O

>  <MolWeight> (249)
329.8239

>  <Item Name> (249)
Ondansetron hydrochloride (Zofran)

>  <Catalog Number> (249)
S1390

>  <Synonyms> (249)
Ondemet, Emeset, Emetron

>  <Target> (249)
5-HT Receptor

>  <Form> (249)
Hydrochloride

>  <URL> (249)
http://www.selleckchem.com/products/Ondansetron-hydrochloride.html

>  <CAS Number> (249)
99614-01-4

$$$$
Pelitinib.cdx
csChFnd80/10101813032D

 33 35  0  0  0  0  0  0  0  0999 V2000
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   10.8825    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0949    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 29 33  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (250)
250

>  <Formula> (250)
C24H23ClFN5O2

>  <MolWeight> (250)
467.9231232

>  <Item Name> (250)
Pelitinib (EKB-569)

>  <Catalog Number> (250)
S1392

>  <Synonyms> (250)
WAY-EKB 569

>  <Target> (250)
EGFR

>  <Form> (250)
Free Base

>  <URL> (250)
http://www.selleckchem.com/products/Pelitinib.html

>  <CAS Number> (250)
257933-82-7

$$$$
Pizotifen malate.cdx
csChFnd80/10101813032D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (251)
251

>  <Formula> (251)
C23H27NO5S

>  <MolWeight> (251)
429.52918

>  <Item Name> (251)
Pizotifen malate

>  <Catalog Number> (251)
S1394

>  <Synonyms> (251)
BC-105

>  <Target> (251)
5-HT Receptor

>  <Form> (251)
Malate

>  <URL> (251)
http://www.selleckchem.com/products/Pizotifen-malate.html

>  <CAS Number> (251)
5189-11-7

$$$$
resveratrol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (252)
252

>  <Formula> (252)
C14H12O3

>  <MolWeight> (252)
228.24328

>  <Item Name> (252)
Resveratrol

>  <Catalog Number> (252)
S1396

>  <Synonyms> (252)
N/A

>  <Target> (252)
Sirtuin

>  <Form> (252)
Free Base

>  <URL> (252)
http://www.selleckchem.com/products/Resveratrol.html

>  <CAS Number> (252)
501-36-0

$$$$
Rocuronium bromide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (253)
253

>  <Formula> (253)
C32H53BrN2O4

>  <MolWeight> (253)
609.67822

>  <Item Name> (253)
Rocuronium bromide

>  <Catalog Number> (253)
S1397

>  <Synonyms> (253)
Zemuron, Esmeron

>  <Target> (253)
AChR

>  <Form> (253)
Bromide

>  <URL> (253)
http://www.selleckchem.com/products/Rocuronium-bromide.html

>  <CAS Number> (253)
119302-91-9

$$$$

csChFnd80/10101813032D

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M  END
>  <Mol_ID> (254)
254

>  <Formula> (254)
C23H34N5O14P

>  <MolWeight> (254)
635.514921

>  <Item Name> (254)
Tenofovir Disoproxil Fumarate

>  <Catalog Number> (254)
S1400

>  <Synonyms> (254)
Viread

>  <Target> (254)
Reverse Transcriptase

>  <Form> (254)
Fumarate

>  <URL> (254)
http://www.selleckchem.com/products/Tenofovir-Disoproxil-Fumarate.html

>  <CAS Number> (254)
202138-50-9

$$$$
Tenofovir(PMPA).cdx
csChFnd80/10101813032D

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C9H14N5O4P

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Tenofovir (Viread)

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S1401

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Viread

>  <Target> (255)
Reverse Transcriptase

>  <Form> (255)
Free Base

>  <URL> (255)
http://www.selleckchem.com/products/Tenofovir.html

>  <CAS Number> (255)
147127-20-6

$$$$
S1130.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (256)
256

>  <Formula> (256)
C20H19BrN4O3

>  <MolWeight> (256)
443.29386

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YM155 (Sepantronium Bromide)

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S1130

>  <Synonyms> (256)
N/A

>  <Target> (256)
Survivin

>  <Form> (256)
Bromide

>  <URL> (256)
http://www.selleckchem.com/products/YM155.html

>  <CAS Number> (256)
781661-94-7

$$$$
Tigecycline.cdx
csChFnd80/10101813032D

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257

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C29H39N5O8

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585.64866

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Tigecycline

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S1403

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Tygacil, GAR-936, WAY-GAR-936, TBG-MINO

>  <Target> (257)
Antifection

>  <Form> (257)
Free Base

>  <URL> (257)
http://www.selleckchem.com/products/Tigecycline.html

>  <CAS Number> (257)
220620-09-7

$$$$
Trilostane.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (258)
258

>  <Formula> (258)
C20H27NO3

>  <MolWeight> (258)
329.43328

>  <Item Name> (258)
Trilostane

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S1404

>  <Synonyms> (258)
Vetoryl

>  <Target> (258)
Dehydrogenase

>  <Form> (258)
Free Base

>  <URL> (258)
http://www.selleckchem.com/products/Trilostane.html

>  <CAS Number> (258)
13647-35-3

$$$$
Vecuronium Bromide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (259)
259

>  <Formula> (259)
C34H57BrN2O4

>  <MolWeight> (259)
637.73138

>  <Item Name> (259)
Vecuronium Bromide

>  <Catalog Number> (259)
S1405

>  <Synonyms> (259)
Norcuron, Org NC 45

>  <Target> (259)
AChR

>  <Form> (259)
Bromide

>  <URL> (259)
http://www.selleckchem.com/products/Vecuronium-Bromide.html#

>  <CAS Number> (259)
50700-72-6

$$$$
bimatoprost.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (260)
260

>  <Formula> (260)
C25H37NO4

>  <MolWeight> (260)
415.56558

>  <Item Name> (260)
Bimatoprost

>  <Catalog Number> (260)
S1407

>  <Synonyms> (260)
Lumigan

>  <Target> (260)
Immunology & Inflammation related

>  <Form> (260)
Free Base

>  <URL> (260)
http://www.selleckchem.com/products/Bimatoprost.html

>  <CAS Number> (260)
155206-00-1

$$$$
Linezolid.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (261)
261

>  <Formula> (261)
C16H20FN3O4

>  <MolWeight> (261)
337.3461032

>  <Item Name> (261)
Linezolid (Zyvox)

>  <Catalog Number> (261)
S1408

>  <Synonyms> (261)
Zyvoxid, Zyvoxam

>  <Target> (261)
Antifection

>  <Form> (261)
Free Base

>  <URL> (261)
http://www.selleckchem.com/products/Linezolid(Zyvox).html

>  <CAS Number> (261)
165800-03-3

$$$$
Alfuzosin HCl.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (262)
262

>  <Formula> (262)
C19H28ClN5O4

>  <MolWeight> (262)
425.90972

>  <Item Name> (262)
Alfuzosin hydrochloride (Uroxatral)

>  <Catalog Number> (262)
S1409

>  <Synonyms> (262)
Uroxatral

>  <Target> (262)
Adrenergic Receptor

>  <Form> (262)
Hydrochloride

>  <URL> (262)
http://www.selleckchem.com/products/Alfuzosin-hydrochloride.html

>  <CAS Number> (262)
81403-68-1

$$$$
Clopidogrel bisulfate.cdx
csChFnd80/10101813032D

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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (263)
263

>  <Formula> (263)
C16H18ClNO6S2

>  <MolWeight> (263)
419.90022

>  <Item Name> (263)
Clopidogrel (Plavix)

>  <Catalog Number> (263)
S1415

>  <Synonyms> (263)
Iscover 

>  <Target> (263)
P2 Receptor

>  <Form> (263)
Sulfate

>  <URL> (263)
http://www.selleckchem.com/products/Clopidogrel-bisulfate.html

>  <CAS Number> (263)
120202-66-6

$$$$
5-Aminolevulinic acid hydrochloride.cdx
csChFnd80/10101813032D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (264)
264

>  <Formula> (264)
C5H10ClNO3

>  <MolWeight> (264)
167.5908

>  <Item Name> (264)
5-Aminolevulinic acid hydrochloride

>  <Catalog Number> (264)
S2553

>  <Synonyms> (264)
Levulan, ALA

>  <Target> (264)
Others

>  <Form> (264)
Hydrochloride

>  <URL> (264)
http://www.selleckchem.com/products/5-Aminolevulinic-acid-hydrochloride.html

>  <CAS Number> (264)
5451-09-2

$$$$
Droxinostat.cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (265)
265

>  <Formula> (265)
C11H14ClNO3

>  <MolWeight> (265)
243.68676

>  <Item Name> (265)
Droxinostat

>  <Catalog Number> (265)
S1422

>  <Synonyms> (265)
N/A

>  <Target> (265)
HDAC 

>  <Form> (265)
Free Base

>  <URL> (265)
http://www.selleckchem.com/products/Droxinostat.html

>  <CAS Number> (265)
99873-43-5

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/10101813032D

 33 33  0  0  0  0  0  0  0  0999 V2000
    4.1915    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1915    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4039    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6163    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 13  1  0  0  0  0
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 19 20  1  0  0  0  0
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 25 20  1  0  0  0  0
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 29 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (266)
266

>  <Formula> (266)
C24H35Cl2N3O4

>  <MolWeight> (266)
500.4584

>  <Item Name> (266)
Ranolazine dihydrochloride

>  <Catalog Number> (266)
S1425

>  <Synonyms> (266)
RS 43285-193, RS-43285, Ranexa, renolazine 

>  <Target> (266)
Calcium Channel

>  <Form> (266)
Dihydrochloride

>  <URL> (266)
http://www.selleckchem.com/products/Ranolazine-dihydrochloride.html

>  <CAS Number> (266)
95635-56-6

$$$$
Repaglinide.cdx
csChFnd80/10101813032D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (267)
267

>  <Formula> (267)
C27H36N2O4

>  <MolWeight> (267)
452.58574

>  <Item Name> (267)
Repaglinide

>  <Catalog Number> (267)
S1426

>  <Synonyms> (267)
Prandin, GlucoNorm, NovoNorm

>  <Target> (267)
Potassium Channel

>  <Form> (267)
Free Base

>  <URL> (267)
http://www.selleckchem.com/products/Repaglinide.html

>  <CAS Number> (267)
135062-02-1

$$$$
Rolipram.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (268)
268

>  <Formula> (268)
C16H21NO3

>  <MolWeight> (268)
275.34284

>  <Item Name> (268)
Rolipram

>  <Catalog Number> (268)
S1430

>  <Synonyms> (268)
N/A

>  <Target> (268)
PDE

>  <Form> (268)
Free Base

>  <URL> (268)
http://www.selleckchem.com/products/Rolipram.html

>  <CAS Number> (268)
61413-54-5

$$$$
A 922500.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (269)
269

>  <Formula> (269)
C26H24N2O4

>  <MolWeight> (269)
428.47976

>  <Item Name> (269)
A 922500

>  <Catalog Number> (269)
S2674

>  <Synonyms> (269)
N/A

>  <Target> (269)
Diacylglycerol Acyltransferase 1

>  <Form> (269)
Free Base

>  <URL> (269)
http://www.selleckchem.com/products/a-922500.html

>  <CAS Number> (269)
959122-11-3

$$$$
Sildenafil citrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (270)
270

>  <Formula> (270)
C28H38N6O11S

>  <MolWeight> (270)
666.69992

>  <Item Name> (270)
Sildenafil citrate

>  <Catalog Number> (270)
S1431

>  <Synonyms> (270)
Viagra, Revatio 

>  <Target> (270)
PDE

>  <Form> (270)
Citrate

>  <URL> (270)
http://www.selleckchem.com/products/Sildenafil-citrate.html

>  <CAS Number> (270)
171599-83-0

$$$$

csChFnd80/10101813032D

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M  END
>  <Mol_ID> (271)
271

>  <Formula> (271)
C18H27N3O6S

>  <MolWeight> (271)
413.48848

>  <Item Name> (271)
Sumatriptan succinate

>  <Catalog Number> (271)
S1432

>  <Synonyms> (271)
Imigran, mitrex, Imitrex, Suminat, Sumitrex

>  <Target> (271)
5-HT Receptor

>  <Form> (271)
Succinate

>  <URL> (271)
http://www.selleckchem.com/products/Sumatriptan-succinate.html

>  <CAS Number> (271)
103628-48-4

$$$$
Tianeptine sodium salt.cdx
csChFnd80/10101813032D

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    0.0000    1.8964    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   14.4832    9.0707    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  4  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  5  2  0  0  0  0
  7 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  2  0  0  0  0
  1 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  2  1  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 10 30  1  0  0  0  0
M  END
>  <Mol_ID> (272)
272

>  <Formula> (272)
C21H24ClN2NaO4S

>  <MolWeight> (272)
458.93403

>  <Item Name> (272)
Tianeptine sodium

>  <Catalog Number> (272)
S1436

>  <Synonyms> (272)
Stablon, Coaxil, Tatinol

>  <Target> (272)
5-HT Receptor

>  <Form> (272)
Sodium Salt

>  <URL> (272)
http://www.selleckchem.com/products/Tianeptine-sodium-salt.html

>  <CAS Number> (272)
30123-17-2

$$$$
Topiramate.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.7240    3.0357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4240    1.8233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8240    1.8233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5240    3.0357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8240    4.2481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5139    4.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7608    0.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0397    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8934    2.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3920    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4021    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8480    4.6511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1956    4.2900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    6.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    3.2511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3546    2.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4872    0.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0382    2.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  6  0  0  0
  3  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  1  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  2  0  0  0  0
  1 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (273)
273

>  <Formula> (273)
C12H21NO8S

>  <MolWeight> (273)
339.36204

>  <Item Name> (273)
Topiramate

>  <Catalog Number> (273)
S1438

>  <Synonyms> (273)
Topamax

>  <Target> (273)
Carbonic Anhydrase

>  <Form> (273)
Free Base

>  <URL> (273)
http://www.selleckchem.com/products/Topiramate.html

>  <CAS Number> (273)
97240-79-4

$$$$
Tranilast.cdx
csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.1000    2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2073    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9097    2.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2073    3.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024    3.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9073    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3073    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073    6.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    6.0706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3073    7.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1073    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4049    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1073    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5122    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2146    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5122    4.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2122    6.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6122    6.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5122    7.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1024    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (274)
274

>  <Formula> (274)
C18H17NO5

>  <MolWeight> (274)
327.33128

>  <Item Name> (274)
Tranilast (SB 252218)

>  <Catalog Number> (274)
S1439

>  <Synonyms> (274)
Rizaben, MK 341, Tranpro

>  <Target> (274)
Immunology & Inflammation related

>  <Form> (274)
Free Base

>  <URL> (274)
http://www.selleckchem.com/products/Tranilast.html

>  <CAS Number> (274)
53902-12-8
53902-12-8

$$$$
Venlafaxine hydrochloride.cdx
csChFnd80/10101813032D

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.0115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4364    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4364    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4322    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4322    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8075    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6446    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8571    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4322    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0653    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0653    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2358    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 10  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (275)
275

>  <Formula> (275)
C17H28ClNO2

>  <MolWeight> (275)
313.86272

>  <Item Name> (275)
Venlafaxine HCl

>  <Catalog Number> (275)
S1441

>  <Synonyms> (275)
Effexor, Efexor 

>  <Target> (275)
5-HT Receptor

>  <Form> (275)
Hydrochloride

>  <URL> (275)
http://www.selleckchem.com/products/Venlafaxine-hydrochloride.html

>  <CAS Number> (275)
99300-78-4

$$$$
Voriconazole.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.8000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    4.8413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    4.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1000    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    4.8413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9879    4.8413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    6.1936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    7.2578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    7.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    8.7735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685    9.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2281    8.5367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 18 19  1  0  0  0  0
  8 20  1  6  0  0  0
  9 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (276)
276

>  <Formula> (276)
C16H14F3N5O

>  <MolWeight> (276)
349.3104696

>  <Item Name> (276)
Voriconazole

>  <Catalog Number> (276)
S1442

>  <Synonyms> (276)
Vfend

>  <Target> (276)
P450

>  <Form> (276)
Free Base

>  <URL> (276)
http://www.selleckchem.com/products/Voriconazole.html

>  <CAS Number> (276)
137234-62-9

$$$$
Zileuton.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6720    2.6082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7647    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7647    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (277)
277

>  <Formula> (277)
C11H12N2O2S

>  <MolWeight> (277)
236.29018

>  <Item Name> (277)
Zileuton

>  <Catalog Number> (277)
S1443

>  <Synonyms> (277)
ZYFLO

>  <Target> (277)
Lipoxygenase

>  <Form> (277)
Free Base

>  <URL> (277)
http://www.selleckchem.com/products/Zileuton.html

>  <CAS Number> (277)
111406-87-2

$$$$
Ziprasidone hydrochloride.cdx
csChFnd80/10101813032D

 29 32  0  0  0  0  0  0  0  0999 V2000
   13.3575    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2989    5.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2521    5.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144    4.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667    3.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8540    5.6572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    4.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4403    3.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5843    7.2015    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
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 16 17  1  0  0  0  0
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 26 22  1  0  0  0  0
 19 27  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (278)
278

>  <Formula> (278)
C21H22Cl2N4OS

>  <MolWeight> (278)
449.39658

>  <Item Name> (278)
Ziprasidone hydrochloride

>  <Catalog Number> (278)
S1444

>  <Synonyms> (278)
Geodon, Zeldox

>  <Target> (278)
5-HT Receptor,Dopamine Receptor

>  <Form> (278)
Hydrochloride

>  <URL> (278)
http://www.selleckchem.com/products/Ziprasidone-hydrochloride.html

>  <CAS Number> (278)
122883-93-6

$$$$
Zonisamide.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.7698    1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4698    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8698    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5698    1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4698    2.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5331    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4004    1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0368    1.3523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6744    2.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3991    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (279)
279

>  <Formula> (279)
C8H8N2O3S

>  <MolWeight> (279)
212.22572

>  <Item Name> (279)
Zonisamide

>  <Catalog Number> (279)
S1445

>  <Synonyms> (279)
Zonegran

>  <Target> (279)
Sodium Channel

>  <Form> (279)
Free Base

>  <URL> (279)
http://www.selleckchem.com/products/Zonisamide.html

>  <CAS Number> (279)
68291-97-4

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/10101813032D

 42 46  0  0  0  0  0  0  0  0999 V2000
   10.8867    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3115    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3611    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 34  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (280)
280

>  <Formula> (280)
C31H31ClFN7O2

>  <MolWeight> (280)
588.0749432

>  <Item Name> (280)
Aurora A Inhibitor I

>  <Catalog Number> (280)
S1451

>  <Synonyms> (280)
N/A

>  <Target> (280)
Aurora Kinase

>  <Form> (280)
Free Base

>  <URL> (280)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

>  <CAS Number> (280)
1158838-45-9

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/10101813032D

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.0538   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   12.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   12.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   14.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    9.7806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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 25 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (281)
281

>  <Formula> (281)
C30H33ClN4O2

>  <MolWeight> (281)
517.06162

>  <Item Name> (281)
Ispinesib (SB-715992)

>  <Catalog Number> (281)
S1452

>  <Synonyms> (281)
N/A 

>  <Target> (281)
Kinesin

>  <Form> (281)
Free Base

>  <URL> (281)
http://www.selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

>  <CAS Number> (281)
336113-53-2

$$$$
Tipifarnib.cdx
csChFnd80/10101813032D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.2115    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Farnesyltransferase, Ras

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Aurora Kinase

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398493-79-3

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PDE

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153259-65-5

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HIF

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Free Base

>  <URL> (288)
http://www.selleckchem.com/products/fg-4592.html

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808118-40-3

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M  END
>  <Mol_ID> (290)
290

>  <Formula> (290)
C28H44O2

>  <MolWeight> (290)
412.64776

>  <Item Name> (290)
Doxercalciferol (Hectorol)

>  <Catalog Number> (290)
S1467

>  <Synonyms> (290)
Hectorol

>  <Target> (290)
Vitamin

>  <Form> (290)
Free Base

>  <URL> (290)
http://www.selleckchem.com/products/Doxercalciferol(Hectorol).html

>  <CAS Number> (290)
54573-75-0

$$$$
Alfacalcidol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C27H44O2

>  <MolWeight> (291)
400.63706

>  <Item Name> (291)
Alfacalcidol

>  <Catalog Number> (291)
S1468

>  <Synonyms> (291)
Alpha D3, Etalpha

>  <Target> (291)
Vitamin

>  <Form> (291)
Free Base

>  <URL> (291)
http://www.selleckchem.com/products/Alfacalcidol.html

>  <CAS Number> (291)
41294-56-8

$$$$
Moxifloxacin hydrochloride.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (292)
292

>  <Formula> (292)
C21H25ClFN3O4

>  <MolWeight> (292)
437.8923032

>  <Item Name> (292)
Moxifloxacin hydrochloride

>  <Catalog Number> (292)
S1465

>  <Synonyms> (292)
Avelox, Avalox

>  <Target> (292)
Topoisomerase

>  <Form> (292)
Hydrochloride

>  <URL> (292)
http://www.selleckchem.com/products/Moxifloxacin.html

>  <CAS Number> (292)
186826-86-8

$$$$
Cyclamic acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (293)
293

>  <Formula> (293)
C6H13NO3S

>  <MolWeight> (293)
179.23732

>  <Item Name> (293)
Cyclamic acid

>  <Catalog Number> (293)
S4015

>  <Synonyms> (293)
N/A

>  <Target> (293)
Others

>  <Form> (293)
Free Base

>  <URL> (293)
http://www.selleckchem.com/products/cyclamic-acid.html

>  <CAS Number> (293)
100-88-9

$$$$
TSU-68 (SU6668).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (294)
294

>  <Formula> (294)
C18H18N2O3

>  <MolWeight> (294)
310.34712

>  <Item Name> (294)
Orantinib (TSU-68, SU6668)

>  <Catalog Number> (294)
S1470

>  <Synonyms> (294)
NSC 702827

>  <Target> (294)
VEGFR, PDGFR , FGFR 

>  <Form> (294)
Free Base

>  <URL> (294)
http://www.selleckchem.com/products/TSU-68(SU6668).html

>  <CAS Number> (294)
252916-29-3

$$$$
FCE28073.cdx
csChFnd80/10101813032D

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LY335979 (Zosuquidar trihydrochloride)

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S1481

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RS-33295-198

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P-gp

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Trihydrochlorid

>  <URL> (300)
http://www.selleckchem.com/products/LY335979.html

>  <CAS Number> (300)
167465-36-3

$$$$
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>  <Mol_ID> (301)
301

>  <Formula> (301)
C40H50N8O6

>  <MolWeight> (301)
738.875

>  <Item Name> (301)
Daclatasvir (BMS-790052)

>  <Catalog Number> (301)
S1482

>  <Synonyms> (301)
N/A

>  <Target> (301)
HCV Protease

>  <Form> (301)
Free Base

>  <URL> (301)
http://www.selleckchem.com/products/BMS-790052.html

>  <CAS Number> (301)
1009119-64-5

$$$$
Iloperidone.cdx
csChFnd80/10101813032D

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302

>  <Formula> (302)
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>  <Item Name> (302)
Iloperidone (Fanapt)

>  <Catalog Number> (302)
S1483

>  <Synonyms> (302)
Fanapta, Zomaril 

>  <Target> (302)
5-HT Receptor

>  <Form> (302)
Free Base

>  <URL> (302)
http://www.selleckchem.com/products/Iloperidone(Fanapt).html

>  <CAS Number> (302)
133454-47-4

$$$$
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>  <MolWeight> (307)
371.92524

>  <Item Name> (307)
Naratriptan HCl

>  <Catalog Number> (307)
S1488 

>  <Synonyms> (307)
Amerge, Naramig

>  <Target> (307)
5-HT Receptor

>  <Form> (307)
Hydrochloride

>  <URL> (307)
http://www.selleckchem.com/products/Naratriptan(Amerge).html

>  <CAS Number> (307)
143388-64-1

$$$$

csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
    8.1936   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4060   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6184   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8267   -5.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  4  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 13 14  2  0  0  0  0
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 15  7  2  0  0  0  0
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 18 20  2  0  0  0  0
  9 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (308)
308

>  <Formula> (308)
C14H16ClN3O4S2

>  <MolWeight> (308)
389.87754

>  <Item Name> (308)
PIK-93

>  <Catalog Number> (308)
S1489

>  <Synonyms> (308)
N/A

>  <Target> (308)
PI3K, VEGFR

>  <Form> (308)
Free Base

>  <URL> (308)
http://www.selleckchem.com/products/PIK-93.html

>  <CAS Number> (308)
593960-11-3

$$$$
AP24534.cdx
csChFnd80/10101813032D

 39 43  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  3  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
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 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 28 29  1  0  0  0  0
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M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C29H27F3N6O

>  <MolWeight> (309)
532.5594896

>  <Item Name> (309)
Ponatinib (AP24534)

>  <Catalog Number> (309)
S1490

>  <Synonyms> (309)
N/A 

>  <Target> (309)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (309)
Free Base

>  <URL> (309)
http://www.selleckchem.com/products/AP24534.html

>  <CAS Number> (309)
943319-70-8

$$$$
Fludarabine.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.6550    3.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8917    1.3647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1707    1.9341    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0244    3.3264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.4306    3.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1306    5.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1938    6.2217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
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 14  8  1  0  0  0  0
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  5  6  1  1  0  0  0
  2 17  1  1  0  0  0
  4 18  1  1  0  0  0
 17 19  1  0  0  0  0
  3 20  1  6  0  0  0
M  END
>  <Mol_ID> (310)
310

>  <Formula> (310)
C10H12FN5O4

>  <MolWeight> (310)
285.2317832

>  <Item Name> (310)
Fludarabine (Fludara)

>  <Catalog Number> (310)
S1491

>  <Synonyms> (310)
F-ara-A, NSC 118218 

>  <Target> (310)
STAT, DNA/RNA Synthesis

>  <Form> (310)
Free Base

>  <URL> (310)
http://www.selleckchem.com/products/Fludarabine(Fludara).html

>  <CAS Number> (310)
21679-14-1

$$$$
CELESTONE (betamethasone).cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
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 18 13  1  0  0  0  0
  5 19  1  1  0  0  0
 11 20  1  6  0  0  0
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 13 25  1  1  0  0  0
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 18 30  1  6  0  0  0
M  END
>  <Mol_ID> (311)
311

>  <Formula> (311)
C22H29FO5

>  <MolWeight> (311)
392.4610632

>  <Item Name> (311)
Betamethasone (Celestone)

>  <Catalog Number> (311)
S1500

>  <Synonyms> (311)
Celestone, Betadexamethasone, Flubenisolone, Sch-4831, NCS-39470 

>  <Target> (311)
Glucocorticoid Receptor

>  <Form> (311)
Free Base

>  <URL> (311)
http://www.selleckchem.com/products/Betamethasone-(Celestone).html

>  <CAS Number> (311)
378-44-9

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/10101813032D

 31 33  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.0948    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8824    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  5  1  0  0  0  0
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M  END
>  <Mol_ID> (312)
312

>  <Formula> (312)
C23H31NO7

>  <MolWeight> (312)
433.49474

>  <Item Name> (312)
Mycophenolate mofetil (CellCept)

>  <Catalog Number> (312)
S1501

>  <Synonyms> (312)
CellCept, RS 61443, TM-MMF

>  <Target> (312)
Dehydrogenase

>  <Form> (312)
Free Base

>  <URL> (312)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

>  <CAS Number> (312)
128794-94-5

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/10101813032D

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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  2  0  0  0  0
  1  9  1  0  0  0  0
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 13  5  1  0  0  0  0
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 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C10H14N4O4

>  <MolWeight> (313)
254.24256

>  <Item Name> (313)
Dyphylline (Dilor)

>  <Catalog Number> (313)
S1504

>  <Synonyms> (313)
Neothylline, Lufyllin, diprophylline

>  <Target> (313)
PDE

>  <Form> (313)
Free Base

>  <URL> (313)
http://www.selleckchem.com/products/Dyphylline(Dilor).html

>  <CAS Number> (313)
479-18-5

$$$$
AZACTAM (aztreonam).cdx
csChFnd80/10101813032D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.5792    3.3765    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 15  5  1  0  0  0  0
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M  END
>  <Mol_ID> (314)
314

>  <Formula> (314)
C13H17N5O8S2

>  <MolWeight> (314)
435.43278

>  <Item Name> (314)
Aztreonam (Azactam, Cayston)

>  <Catalog Number> (314)
S1505

>  <Synonyms> (314)
Monobactam, SQ 26776, Squibb 26776 

>  <Target> (314)
Antifection

>  <Form> (314)
Free Base

>  <URL> (314)
http://www.selleckchem.com/products/Aztreonam(Azactam).html

>  <CAS Number> (314)
78110-38-0

$$$$
CIALIS (tadalafil).cdx
csChFnd80/10101813032D

 30 35  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.8157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (315)
315

>  <Formula> (315)
C22H19N3O4

>  <MolWeight> (315)
389.40396

>  <Item Name> (315)
Tadalafil (Cialis)

>  <Catalog Number> (315)
S1512

>  <Synonyms> (315)
IC 351

>  <Target> (315)
PDE

>  <Form> (315)
Free Base

>  <URL> (315)
http://www.selleckchem.com/products/Tadalafil(Cialis).html

>  <CAS Number> (315)
171596-29-5

$$$$
NEORAL (cyclosporine).cdx
csChFnd80/10101813032D

 85 85  0  0  0  0  0  0  0  0999 V2000
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Cyclosporine (Neoral)

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Sandimmune, Gengraf, Restasis, Atopica, Sangcya 

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phosphatase

>  <Form> (316)
Free Base

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http://www.selleckchem.com/products/Cyclosporine.html

>  <CAS Number> (316)
79217-60-0

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>  <Target> (317)
HDAC

>  <Form> (317)
Free Base

>  <URL> (317)
http://www.selleckchem.com/products/SB939.html

>  <CAS Number> (317)
929016-96-6

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P529

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mTOR

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>  <URL> (318)
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>  <CAS Number> (318)
914913-88-5

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PI3K, mTOR

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http://www.selleckchem.com/products/XL765(SAR245409).html#

>  <CAS Number> (319)
1349796-36-6

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csChFnd80/10101813032D

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CDK 

>  <Form> (320)
Free Base

>  <URL> (320)
http://www.selleckchem.com/products/AT7519.html

>  <CAS Number> (320)
844442-38-2

$$$$
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Wee1

>  <Form> (321)
Free Base

>  <URL> (321)
http://www.selleckchem.com/products/MK-1775.html

>  <CAS Number> (321)
955365-80-7

$$$$
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M  END
>  <Mol_ID> (327)
327

>  <Formula> (327)
C27H28N4O2

>  <MolWeight> (327)
440.53682

>  <Item Name> (327)
BIX 02189

>  <Catalog Number> (327)
S1531

>  <Synonyms> (327)
N/A

>  <Target> (327)
MEK 

>  <Form> (327)
Free Base

>  <URL> (327)
http://www.selleckchem.com/products/BIX-02189.html

>  <CAS Number> (327)
1094614-85-3

$$$$
Milnacipran hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (328)
328

>  <Formula> (328)
C15H23ClN2O

>  <MolWeight> (328)
282.80892

>  <Item Name> (328)
Milnacipran HCl

>  <Catalog Number> (328)
S3140

>  <Synonyms> (328)
N/A

>  <Target> (328)
5-HT Receptor

>  <Form> (328)
HCl

>  <URL> (328)
http://www.selleckchem.com/products/milnacipran-hydrochloride.html

>  <CAS Number> (328)
101152-94-7

$$$$
Darifenacin hydrobromide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (329)
329

>  <Formula> (329)
C28H31BrN2O2

>  <MolWeight> (329)
507.46194

>  <Item Name> (329)
Darifenacin HBr

>  <Catalog Number> (329)
S3144

>  <Synonyms> (329)
N/A 

>  <Target> (329)
AChR

>  <Form> (329)
HBr

>  <URL> (329)
http://www.selleckchem.com/products/darifenacin-hydrobromide.html

>  <CAS Number> (329)
133099-07-7

$$$$
2-Thiouracil.cdx
csChFnd80/10101813032D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (330)
330

>  <Formula> (330)
C4H4N2OS

>  <MolWeight> (330)
128.15236

>  <Item Name> (330)
2-Thiouracil

>  <Catalog Number> (330)
S3100

>  <Synonyms> (330)
N/A 

>  <Target> (330)
Others

>  <Form> (330)
Free Base

>  <URL> (330)
http://www.selleckchem.com/products/2-thiouracil.html

>  <CAS Number> (330)
141-90-2

$$$$
AZD7762.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (331)
331

>  <Formula> (331)
C17H19FN4O2S

>  <MolWeight> (331)
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>  <Item Name> (331)
AZD7762

>  <Catalog Number> (331)
S1532

>  <Synonyms> (331)
N/A

>  <Target> (331)
Chk

>  <Form> (331)
Free Base

>  <URL> (331)
http://www.selleckchem.com/products/AZD7762.html

>  <CAS Number> (331)
860352-01-8

$$$$
R406 free base.cdx
csChFnd80/10101813032D

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DMXAA.cdx
csChFnd80/10101813032D

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117570-53-3

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Febuxostat.cdx
csChFnd80/10101813032D

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Adenuric

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Free Base

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http://www.selleckchem.com/products/Febuxostat(Uloric).html

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144060-53-7

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/10101813032D

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461432-26-8

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Pimobendan.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (337)
337

>  <Formula> (337)
C47H73NO17

>  <MolWeight> (337)
924.07902

>  <Item Name> (337)
Amphotericin B

>  <Catalog Number> (337)
S1636

>  <Synonyms> (337)
N/A

>  <Target> (337)
Antifection

>  <Form> (337)
Free Base

>  <URL> (337)
http://www.selleckchem.com/products/Amphotericin-B(Abelcet).

>  <CAS Number> (337)
1397-89-3

$$$$
Azelastine hydrochloride.cdx
csChFnd80/10101813032D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C22H25Cl2N3O

>  <MolWeight> (338)
418.3594

>  <Item Name> (338)
Azelastine hydrochloride (Astelin)

>  <Catalog Number> (338)
S2552 

>  <Synonyms> (338)
Allergodil, Rhinolast, Astelin, Optilas, Optivar 

>  <Target> (338)
Histamine Receptor

>  <Form> (338)
Hydrochloride

>  <URL> (338)
http://www.selleckchem.com/products/Azelastine-hydrochloride-Astelin.html

>  <CAS Number> (338)
79307-93-0

$$$$
Clarithromycin.cdx
csChFnd80/10101813032D

 52 54  0  0  0  0  0  0  0  0999 V2000
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S2555

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Crixan, Klaricid, Klabax, Claripen, Clarem, Claridar, Fromilid, Clacid, Clacee, Vikrol, Infex, Clari 

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P450

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Free Base

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http://www.selleckchem.com/products/clarithromycin.html

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81103-11-9

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mTOR

>  <Form> (340)
Free Base

>  <URL> (340)
http://www.selleckchem.com/products/AZD8055.html

>  <CAS Number> (340)
1009298-09-2

$$$$
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Sirtuin

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>  <URL> (341)
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>  <CAS Number> (341)
49843-98-3

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342

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Akt, PDK-1

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>  <URL> (342)
http://www.selleckchem.com/products/PHT-427.html

>  <CAS Number> (342)
1191951-57-1

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Antifection

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Sodium

>  <URL> (343)
http://www.selleckchem.com/products/ampicillin-sodium.html

>  <CAS Number> (343)
69-52-3

$$$$
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Akt, S6 kinase

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c-Met

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1025720-94-8

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>  <Formula> (348)
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Pomalidomide

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S1567

>  <Synonyms> (348)
CC-4047

>  <Target> (348)
TNF-alpha, COX

>  <Form> (348)
Free Base

>  <URL> (348)
http://www.selleckchem.com/products/Pomalidomide(CC-4047).html

>  <CAS Number> (348)
19171-19-8

$$$$
PD318088.cdx
csChFnd80/10101813032D

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>  <Formula> (349)
C16H13BrF3IN2O4

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PD318088

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S1568

>  <Synonyms> (349)
N/A

>  <Target> (349)
MEK 

>  <Form> (349)
Free Base

>  <URL> (349)
http://www.selleckchem.com/products/PD318088.html

>  <CAS Number> (349)
391210-00-7 

$$$$
AVAGE (tazarotene).cdx
csChFnd80/10101813032D

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350

>  <Formula> (350)
C21H21NO2S

>  <MolWeight> (350)
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>  <Item Name> (350)
Tazarotene (Avage)

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S1569

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Tazorac, Avage, Zora

>  <Target> (350)
Retinoid Receptor

>  <Form> (350)
Free Base

>  <URL> (350)
http://www.selleckchem.com/products/Tazarotene(Avage).html

>  <CAS Number> (350)
118292-40-3

$$$$
KU-60019.cdx
csChFnd80/10101813032D

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ATM 

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Free Base

>  <URL> (351)
http://www.selleckchem.com/products/KU-60019.html

>  <CAS Number> (351)
925701-49-1

$$$$
BS-181.cdx
csChFnd80/10101813032D

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CDK 

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>  <URL> (352)
http://www.selleckchem.com/products/BS-181.html

>  <CAS Number> (352)
1397219-81-6

$$$$
Fasudil HCl.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C14H18ClN3O2S

>  <MolWeight> (353)
327.82962

>  <Item Name> (353)
Fasudil HCl (HA-1077)

>  <Catalog Number> (353)
S1573

>  <Synonyms> (353)
AT-877 

>  <Target> (353)
ROCK

>  <Form> (353)
Hydrochloride

>  <URL> (353)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

>  <CAS Number> (353)
105628-07-7

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/10101813032D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C31H37N5O3

>  <MolWeight> (354)
527.65718

>  <Item Name> (354)
BIRB 796 (Doramapimod)

>  <Catalog Number> (354)
S1574

>  <Synonyms> (354)
N/A

>  <Target> (354)
p38 MAPK

>  <Form> (354)
Free Base

>  <URL> (354)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

>  <CAS Number> (354)
285983-48-4

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/10101813032D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C26H21N3O2S

>  <MolWeight> (355)
439.52884

>  <Item Name> (355)
Tie2 kinase inhibitor

>  <Catalog Number> (355)
S1577

>  <Synonyms> (355)
N/A

>  <Target> (355)
Tie-2

>  <Form> (355)
Free Base

>  <URL> (355)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

>  <CAS Number> (355)
948557-43-5

$$$$
Candesartan.cdx
csChFnd80/10101813032D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C24H20N6O3

>  <MolWeight> (356)
440.454

>  <Item Name> (356)
Candesartan (Atacand)

>  <Catalog Number> (356)
S1578

>  <Synonyms> (356)
Atacand, Blopress, Amias, Ratacand

>  <Target> (356)
RAAS

>  <Form> (356)
Free Base

>  <URL> (356)
http://www.selleckchem.com/products/Candesartan(Atacand).html

>  <CAS Number> (356)
139481-59-7

$$$$
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csChFnd80/10101813032D

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Estrogen/progestogen Receptor

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Free Base

>  <URL> (357)
http://www.selleckchem.com/products/altrenogest.html

>  <CAS Number> (357)
850-52-2

$$$$
Apixaban.cdx
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358

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C25H25N5O4

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S1593

>  <Synonyms> (358)
N/A

>  <Target> (358)
Factor Xa 

>  <Form> (358)
Free Base

>  <URL> (358)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

>  <CAS Number> (358)
503612-47-3

$$$$
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>  <Formula> (359)
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>  <MolWeight> (359)
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>  <Item Name> (359)
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LY-450139, LY450139

>  <Target> (359)
Gamma-secretase

>  <Form> (359)
Free Base

>  <URL> (359)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

>  <CAS Number> (359)
425386-60-3

$$$$
Reserpine.cdx
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M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C33H40N2O9

>  <MolWeight> (360)
608.6787

>  <Item Name> (360)
Reserpine

>  <Catalog Number> (360)
S1601

>  <Synonyms> (360)
N/A

>  <Target> (360)
Others

>  <Form> (360)
Free Base

>  <URL> (360)
http://www.selleckchem.com/products/Reserpine.html

>  <CAS Number> (360)
50-55-5

$$$$

csChFnd80/10101813032D

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M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C27H30Cl2F2N6O

>  <MolWeight> (361)
563.4695064

>  <Item Name> (361)
NVP-BSK805 2HCl

>  <Catalog Number> (361)
S2686 

>  <Synonyms> (361)
N/A

>  <Target> (361)
JAK

>  <Form> (361)
HCl

>  <URL> (361)
http://www.selleckchem.com/products/nvp-bsk805.html

>  <CAS Number> (361)
1092499-93-8 (free base)

$$$$
Furosemide.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21  9  1  0  0  0  0
M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C12H11ClN2O5S

>  <MolWeight> (362)
330.74414

>  <Item Name> (362)
Furosemide (Lasix)

>  <Catalog Number> (362)
S1603

>  <Synonyms> (362)
Lasix, Frusemide

>  <Target> (362)
Sodium Channel

>  <Form> (362)
Free Base

>  <URL> (362)
http://www.selleckchem.com/products/Furosemide(Lasix).html

>  <CAS Number> (362)
54-31-9

$$$$
CEFDINIR (cefdinir).cdx
csChFnd80/10101813032D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 27 21  2  0  0  0  0
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M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C14H13N5O5S2

>  <MolWeight> (363)
395.41352

>  <Item Name> (363)
Cefdinir (Omnicef)

>  <Catalog Number> (363)
S1605

>  <Synonyms> (363)
FK-482, BMY-28488, PD 134393, CI-983 

>  <Target> (363)
Antifection

>  <Form> (363)
Free Base

>  <URL> (363)
http://www.selleckchem.com/products/Cefdinir(Omnicef).html

>  <CAS Number> (363)
91832-40-5

$$$$
LOTRIMIN (clotrimazole).cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (364)
364

>  <Formula> (364)
C22H17ClN2

>  <MolWeight> (364)
344.83678

>  <Item Name> (364)
Clotrimazole (Canesten)

>  <Catalog Number> (364)
S1606

>  <Synonyms> (364)
Lotrimin, Mycelex, Canesten

>  <Target> (364)
Antifection

>  <Form> (364)
Free Base

>  <URL> (364)
http://www.selleckchem.com/products/Clotrimazole(Canesten).html

>  <CAS Number> (364)
23593-75-1

$$$$
MAXALT (rizatriptan benzoate).cdx
csChFnd80/10101813032D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    3.5495    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7533    2.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0801    3.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1169    2.4084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4438    2.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8269    1.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9930    5.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9930    4.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2054    3.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4179    4.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4179    5.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2054    6.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2054    2.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4137    1.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9972    1.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C22H25N5O2

>  <MolWeight> (365)
391.4662

>  <Item Name> (365)
Rizatriptan Benzoate (Maxalt)

>  <Catalog Number> (365)
S1607

>  <Synonyms> (365)
MK-462, Maxalt

>  <Target> (365)
NULL

>  <Form> (365)
Benzoate

>  <URL> (365)
http://www.selleckchem.com/products/Rizatriptan-Benzoate(Maxalt).html

>  <CAS Number> (365)
145202-66-0

$$$$
MESTINON (pyridostigmine bromide).cdx
csChFnd80/10101813032D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.0664    4.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.7463    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4955    4.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5405    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C9H13BrN2O2

>  <MolWeight> (366)
261.11572

>  <Item Name> (366)
Pyridostigmine Bromide (Mestinon)

>  <Catalog Number> (366)
S1608

>  <Synonyms> (366)
N/A

>  <Target> (366)
AChR

>  <Form> (366)
Bromide

>  <URL> (366)
http://www.selleckchem.com/products/Pyridostigmine-Bromide(Mestinon).html

>  <CAS Number> (366)
101-26-8

$$$$
METHIMAZOLE (methimazole).cdx
csChFnd80/10101813032D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.8326    3.5495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    3.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    2.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    1.7869    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (367)
367

>  <Formula> (367)
C4H6N2S

>  <MolWeight> (367)
114.16884

>  <Item Name> (367)
Methimazole (Tapazole, Northyx)

>  <Catalog Number> (367)
S1609

>  <Synonyms> (367)
Basolan, Metazolo, Thiamazole

>  <Target> (367)
Others

>  <Form> (367)
Free Base

>  <URL> (367)
http://www.selleckchem.com/products/Methimazole(Tapazole).html

>  <CAS Number> (367)
60-56-0

$$$$
METOLAZONE (metolazone).cdx
csChFnd80/10101813032D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0580    4.8976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5124    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
  7 16  2  0  0  0  0
  9 17  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C16H16ClN3O3S

>  <MolWeight> (368)
365.83454

>  <Item Name> (368)
Metolazone (Zaroxolyn)

>  <Catalog Number> (368)
S1610

>  <Synonyms> (368)
Mykrox, Zaroxolyn, Diulo

>  <Target> (368)
Others

>  <Form> (368)
Free Base

>  <URL> (368)
http://www.selleckchem.com/products/Metolazone(Zaroxolyn).html

>  <CAS Number> (368)
17560-51-9

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/10101813032D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.4122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8059    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2040    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6203    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1582    4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5096    5.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8610    5.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6203    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 14 19  1  1  0  0  0
 12 20  1  1  0  0  0
 17 21  1  1  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 23 24  1  0  0  0  0
 19 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 19  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
  9 33  1  1  0  0  0
 11 34  1  6  0  0  0
M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C29H35NO2

>  <MolWeight> (369)
429.5937

>  <Item Name> (369)
Mifepristone (Mifeprex)

>  <Catalog Number> (369)
S2606

>  <Synonyms> (369)
RU-486, Mifegyne 

>  <Target> (369)
Estrogen/progestogen Receptor

>  <Form> (369)
Free Base

>  <URL> (369)
http://www.selleckchem.com/products/Mifepristone(Mifeprex).html

>  <CAS Number> (369)
84371-65-3

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.5495    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3908    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0908    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6033    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6908    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C8H5F3N2OS

>  <MolWeight> (370)
234.1983096

>  <Item Name> (370)
Riluzole (Rilutek)

>  <Catalog Number> (370)
S1614

>  <Synonyms> (370)
PK-26124, RP-54274, Rilutek

>  <Target> (370)
Sodium Channel

>  <Form> (370)
Free Base

>  <URL> (370)
http://www.selleckchem.com/products/Riluzole(Rilutek).html

>  <CAS Number> (370)
1744-22-5

$$$$
Artemether.cdx
csChFnd80/10101813032D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.4620    6.4729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4620    5.0729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6745    4.3729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.3675    7.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0026    7.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7923    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.7620    6.2853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3775    3.2101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1446    2.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5799    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3675    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4620    7.8729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
  6 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  3  1  0  0  0  0
  3 16  1  6  0  0  0
  9 17  1  0  0  0  0
  2 18  1  6  0  0  0
 17 18  1  0  0  0  0
  9 19  1  1  0  0  0
 11 20  1  1  0  0  0
 15 21  1  1  0  0  0
 14 22  1  1  0  0  0
 22 23  1  0  0  0  0
  1 24  1  6  0  0  0
M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C16H26O5

>  <MolWeight> (371)
298.37464

>  <Item Name> (371)
Artemether

>  <Catalog Number> (371)
S2264

>  <Synonyms> (371)
SM-224, CGP 56696

>  <Target> (371)
Antifection

>  <Form> (371)
Free Base

>  <URL> (371)
http://www.selleckchem.com/products/Artemether(SM-224).html

>  <CAS Number> (371)
71963-77-4

$$$$
SULLA (sulfameter).cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4496    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1496    0.6976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5496    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2496    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5496    3.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1496    3.1224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6447    1.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3423    3.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C11H12N4O3S

>  <MolWeight> (372)
280.30298

>  <Item Name> (372)
Sulfameter (Bayrena)

>  <Catalog Number> (372)
S1618

>  <Synonyms> (372)
Sulfamethoxydiazine, Sulfametin, Sulfametorine, Sulfamethoxine, AHR-857, Berlicid 

>  <Target> (372)
DHFR

>  <Form> (372)
Free Base

>  <URL> (372)
http://www.selleckchem.com/products/Sulfameter(Bayrena).html

>  <CAS Number> (372)
651-06-9

$$$$
Prilocaine.cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8582    0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C13H20N2O

>  <MolWeight> (373)
220.3107

>  <Item Name> (373)
Prilocaine

>  <Catalog Number> (373)
S1619

>  <Synonyms> (373)
N/A

>  <Target> (373)
Sodium Channel

>  <Form> (373)
Free Base

>  <URL> (373)
http://www.selleckchem.com/products/Prilocaine.html

>  <CAS Number> (373)
721-50-6

$$$$
FERNISONE (prednisone).cdx
csChFnd80/10101813032D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9081    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0225    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    6.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2308    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  1  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 10  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  2  0  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 12 24  1  1  0  0  0
 17 25  1  1  0  0  0
 17 26  1  6  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (374)
374

>  <Formula> (374)
C21H26O5

>  <MolWeight> (374)
358.42814

>  <Item Name> (374)
Prednisone (Adasone)

>  <Catalog Number> (374)
S1622

>  <Synonyms> (374)
Deltasone, Liquid Pred, Orasone, Adasone

>  <Target> (374)
Glucocorticoid Receptor

>  <Form> (374)
Free Base

>  <URL> (374)
http://www.selleckchem.com/products/Prednisone.html

>  <CAS Number> (374)
53-03-2

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    3.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (375)
375

>  <Formula> (375)
C5H9NO3S

>  <MolWeight> (375)
163.19486

>  <Item Name> (375)
Acetylcysteine

>  <Catalog Number> (375)
S1623

>  <Synonyms> (375)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (375)
AChR

>  <Form> (375)
Free Base

>  <URL> (375)
http://www.selleckchem.com/products/Acetylcysteine.html

>  <CAS Number> (375)
616-91-1

$$$$
ALESSE (ethinyl estradiol).cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542    4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3065    5.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
  9 19  1  1  0  0  0
 12 20  1  1  0  0  0
 17 21  1  1  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 17 24  1  6  0  0  0
 24 25  3  0  0  0  0
M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C20H24O2

>  <MolWeight> (376)
296.40336

>  <Item Name> (376)
Ethinyl Estradiol

>  <Catalog Number> (376)
S1625

>  <Synonyms> (376)
Ethynylestradiol

>  <Target> (376)
Estrogen/progestogen Receptor

>  <Form> (376)
Free Base

>  <URL> (376)
http://www.selleckchem.com/products/Ethinyl-Estradiol.html

>  <CAS Number> (376)
57-63-6

$$$$
Naproxen sodium.cdx
csChFnd80/10101813032D

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1033    2.0976    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 13 18  1  6  0  0  0
M  END
>  <Mol_ID> (377)
377

>  <Formula> (377)
C14H13NaO3

>  <MolWeight> (377)
252.24099

>  <Item Name> (377)
Naproxen Sodium

>  <Catalog Number> (377)
S1626

>  <Synonyms> (377)
Anaprox, Naprelan 

>  <Target> (377)
COX

>  <Form> (377)
Sodium Salt

>  <URL> (377)
http://www.selleckchem.com/products/Naproxen-Sodium(Aleve).html

>  <CAS Number> (377)
26159-34-2

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2040    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5325    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7693    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3999    4.1899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368    5.7555    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5167    6.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3852    5.9938    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (378)
378

>  <Formula> (378)
C12H9N3O5S

>  <MolWeight> (378)
307.28196

>  <Item Name> (378)
Nitazoxanide (Alinia, Annita)

>  <Catalog Number> (378)
S1627

>  <Synonyms> (378)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

>  <Target> (378)
Others

>  <Form> (378)
Free Base

>  <URL> (378)
http://www.selleckchem.com/products/Nitazoxanide(Alinia).html

>  <CAS Number> (378)
55981-09-4

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/10101813032D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4563    6.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    7.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6119    7.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 16 26  1  6  0  0  0
 17 28  1  6  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 23 33  2  0  0  0  0
M  END
>  <Mol_ID> (379)
379

>  <Formula> (379)
C24H31FO6

>  <MolWeight> (379)
434.4977432

>  <Item Name> (379)
Triamcinolone Acetonide

>  <Catalog Number> (379)
S1628

>  <Synonyms> (379)
Azmacort

>  <Target> (379)
Glucocorticoid Receptor

>  <Form> (379)
Free Base

>  <URL> (379)
http://www.selleckchem.com/products/Triamcinolone-Acetonide.html

>  <CAS Number> (379)
76-25-5 

$$$$
ALLI (orlistat).cdx
csChFnd80/10101813032D

 35 35  0  0  0  0  0  0  0  0999 V2000
    7.0267    6.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0267    5.3121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4316    5.3121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4316    6.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368    7.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4216    4.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368    4.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    4.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6945    3.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7739    4.6845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1362    6.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4885    6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8508    7.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2031    8.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5655    9.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9178    9.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2801   11.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6324   11.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9948   12.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3471   13.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7094   14.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7638    3.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1161    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4785    5.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1061    3.0669    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4015    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3914    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7437    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4583    3.4293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4483    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8006    2.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  1  5  2  0  0  0  0
  3  6  1  1  0  0  0
  2  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 13 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 28  1  0  0  0  0
 30 32  1  0  0  0  0
 28 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <Mol_ID> (380)
380

>  <Formula> (380)
C29H53NO5

>  <MolWeight> (380)
495.73482

>  <Item Name> (380)
Orlistat (Alli, Xenical)

>  <Catalog Number> (380)
S1629

>  <Synonyms> (380)
Tetrahydrolipstatin

>  <Target> (380)
Lipase

>  <Form> (380)
Free Base

>  <URL> (380)
http://www.selleckchem.com/products/Orlistat(Alli).html

>  <CAS Number> (380)
96829-58-2

$$$$
ALLOPURINOL (allopurinol).cdx
csChFnd80/10101813032D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (381)
381

>  <Formula> (381)
C5H4N4O

>  <MolWeight> (381)
136.11146

>  <Item Name> (381)
Allopurinol (Zyloprim)

>  <Catalog Number> (381)
S1630

>  <Synonyms> (381)
Aloprim

>  <Target> (381)
Others

>  <Form> (381)
Free Base

>  <URL> (381)
http://www.selleckchem.com/products/Allopurinol(Zyloprim).html

>  <CAS Number> (381)
315-30-0

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7834    3.2220    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (382)
382

>  <Formula> (382)
C5H4N4NaO+

>  <MolWeight> (382)
159.10123

>  <Item Name> (382)
Allopurinol Sodium (Aloprim)

>  <Catalog Number> (382)
S1631

>  <Synonyms> (382)
 Lopurin, Zyloprim, Aloprim

>  <Target> (382)
Others

>  <Form> (382)
Sodium Salt

>  <URL> (382)
http://www.selleckchem.com/products/Allopurinol-Sodium(Aloprim).html

>  <CAS Number> (382)
17795-21-0

$$$$
ACCOLATE (zafirlukast).cdx
csChFnd80/10101813032D

 41 45  0  0  0  0  0  0  0  0999 V2000
    9.3726    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3726    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1601    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1601    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7041    1.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5270    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7041    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7395    3.8571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3230    3.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    1.7643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    3.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    1.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1881    1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1352    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1352    4.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4998    5.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4366    4.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8060    4.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2386    5.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3019    6.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9325    6.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9989    7.5773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4300    8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6033    6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5368    5.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0344    7.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3991    7.6982    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.7514    8.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6991    8.9106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0991    6.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7413    7.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0936    7.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4560    8.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4660    9.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1137    9.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1272   10.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
  7 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  2  0  0  0  0
 33 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 33  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C31H33N3O6S

>  <MolWeight> (383)
575.67522

>  <Item Name> (383)
Zafirlukast (Accolate)

>  <Catalog Number> (383)
S1633

>  <Synonyms> (383)
Accolate, Accoleit, Vanticon

>  <Target> (383)
LTR

>  <Form> (383)
Free Base

>  <URL> (383)
http://www.selleckchem.com/products/Zafirlukast(Accolate).html

>  <CAS Number> (383)
107753-78-6

$$$$
ACHES-N-PAIN (ibuprofen).cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (384)
384

>  <Formula> (384)
C13H18O2

>  <MolWeight> (384)
206.28082

>  <Item Name> (384)
Ibuprofen (Advil)

>  <Catalog Number> (384)
S1638

>  <Synonyms> (384)
Brufen, Nurofen, Motrin 

>  <Target> (384)
COX

>  <Form> (384)
Free Base

>  <URL> (384)
http://www.selleckchem.com/products/Ibuprofen(Advil).html

>  <CAS Number> (384)
15687-27-1

$$$$
ALBENZA (albendazole).cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8329    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5049    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000    2.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5976    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (385)
385

>  <Formula> (385)
C12H15N3O2S

>  <MolWeight> (385)
265.3314

>  <Item Name> (385)
Albendazole (Albenza)

>  <Catalog Number> (385)
S1640

>  <Synonyms> (385)
Albenza, Eskazole, Zentel, Andazol 

>  <Target> (385)
Microtubule Associated

>  <Form> (385)
Free Base

>  <URL> (385)
http://www.selleckchem.com/products/Albendazole(Albenza).html

>  <CAS Number> (385)
54965-21-8

$$$$
ALDOCLOR-250 (chlorothiazide).cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2149    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7580    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  2  0  0  0  0
  7 16  2  0  0  0  0
  7 17  2  0  0  0  0
M  END
>  <Mol_ID> (386)
386

>  <Formula> (386)
C7H6ClN3O4S2

>  <MolWeight> (386)
295.72324

>  <Item Name> (386)
Chlorothiazide

>  <Catalog Number> (386)
S1641

>  <Synonyms> (386)
Diuril, Chlotride

>  <Target> (386)
Others

>  <Form> (386)
Free Base

>  <URL> (386)
http://www.selleckchem.com/products/Chlorothiazide(Diuril).html

>  <CAS Number> (386)
58-94-6

$$$$
ACTIGALL (ursodiol).cdx
csChFnd80/10101813032D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    5.3326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    6.6595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0431    7.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3896    6.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500    5.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7065    6.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6669    5.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1028    7.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    5.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  5 18  1  1  0  0  0
  4 19  1  1  0  0  0
  8 20  1  1  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
  2 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 23 27  1  6  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 17 23  1  0  0  0  0
 17 33  1  6  0  0  0
M  END
>  <Mol_ID> (387)
387

>  <Formula> (387)
C24H40O4

>  <MolWeight> (387)
392.572

>  <Item Name> (387)
Ursodiol (Actigal Urso)

>  <Catalog Number> (387)
S1643

>  <Synonyms> (387)
Ursodeoxycholic acid, UDCA, Ursosan, Ursofalk, Urso Forte, Udiliv 

>  <Target> (387)
Others

>  <Form> (387)
Free Base

>  <URL> (387)
http://www.selleckchem.com/products/Ursodiol(Actigal).html

>  <CAS Number> (387)
128-13-2

$$$$
ACTIN-N (nitrofurazone).cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
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    6.0173    2.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073    1.9799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3596    2.3422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3495    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7018    1.7146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6 14  2  0  0  0  0
M  END
>  <Mol_ID> (388)
388

>  <Formula> (388)
C6H6N4O4

>  <MolWeight> (388)
198.13624

>  <Item Name> (388)
Nitrofurazone (Nitrofural)

>  <Catalog Number> (388)
S1644

>  <Synonyms> (388)
Nitrofural, Furacilin, ACTIN-N, Otofuran 

>  <Target> (388)
Antifection

>  <Form> (388)
Free Base

>  <URL> (388)
http://www.selleckchem.com/products/Nitrofurazone(ACTIN-N).html

>  <CAS Number> (388)
59-87-0

$$$$
ACTRON (ketoprofen).cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (389)
389

>  <Formula> (389)
C16H14O3

>  <MolWeight> (389)
254.28056

>  <Item Name> (389)
Ketoprofen (Actron)

>  <Catalog Number> (389)
S1645

>  <Synonyms> (389)
Orudis, Oruvail 

>  <Target> (389)
COX

>  <Form> (389)
Free Base

>  <URL> (389)
http://www.selleckchem.com/products/Ketoprofen(Actron).html

>  <CAS Number> (389)
22071-15-4

$$$$
Adenosine.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.6157    3.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6561    2.4872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1287    3.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    2.7773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3730    3.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8678    4.4108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6937    5.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667    6.5665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  1  0  0  0
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  3  8  1  6  0  0  0
  4  9  1  6  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
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 14  7  1  0  0  0  0
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 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (390)
390

>  <Formula> (390)
C10H13N5O4

>  <MolWeight> (390)
267.24132

>  <Item Name> (390)
Adenosine (Adenocard)

>  <Catalog Number> (390)
S1647

>  <Synonyms> (390)
Adenocard

>  <Target> (390)
Others

>  <Form> (390)
Free Base

>  <URL> (390)
http://www.selleckchem.com/products/Adenosine(Adenocard).html

>  <CAS Number> (390)
58-61-7

$$$$
Artemisinin.cdx
csChFnd80/10101813032D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.3912    4.5588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0912    3.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4756    3.1377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5019    4.0900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 11  5  1  0  0  0  0
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 16  8  1  0  0  0  0
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 21 22  1  0  0  0  0
  4 22  1  6  0  0  0
  3 23  1  1  0  0  0
M  END
>  <Mol_ID> (391)
391

>  <Formula> (391)
C15H22O5

>  <MolWeight> (391)
282.33218

>  <Item Name> (391)
Artemisinin

>  <Catalog Number> (391)
S1282

>  <Synonyms> (391)
Qinghaosu

>  <Target> (391)
Antifection

>  <Form> (391)
Free Base

>  <URL> (391)
http://www.selleckchem.com/products/Artemisinin.html

>  <CAS Number> (391)
63968-64-9

$$$$
Artesunate.cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (392)
392

>  <Formula> (392)
C19H28O8

>  <MolWeight> (392)
384.42082

>  <Item Name> (392)
Artesunate

>  <Catalog Number> (392)
S2265

>  <Synonyms> (392)
N/A

>  <Target> (392)
STAT

>  <Form> (392)
Free Base

>  <URL> (392)
http://www.selleckchem.com/products/Artesunate.html

>  <CAS Number> (392)
88495-63-0

$$$$
AT101.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (393)
393

>  <Formula> (393)
C32H34O10

>  <MolWeight> (393)
578.60636

>  <Item Name> (393)
AT101

>  <Catalog Number> (393)
S2812

>  <Synonyms> (393)
N/A

>  <Target> (393)
Bcl-2

>  <Form> (393)
Free Base

>  <URL> (393)
http://www.selleckchem.com/products/at101.html

>  <CAS Number> (393)
866541-93-7

$$$$
ZOMIG (zolmitriptan).cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (394)
394

>  <Formula> (394)
C16H21N3O2

>  <MolWeight> (394)
287.35684

>  <Item Name> (394)
Zolmitriptan (Zomig)

>  <Catalog Number> (394)
S1649

>  <Synonyms> (394)
Zomig, Zomigon, AscoTopand, Zomigoro 

>  <Target> (394)
5-HT Receptor

>  <Form> (394)
Free Base

>  <URL> (394)
http://www.selleckchem.com/products/Zolmitriptan(Zomig).html

>  <CAS Number> (394)
139264-17-8

$$$$
TYZEKA (telbivudine).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (395)
395

>  <Formula> (395)
C10H14N2O5

>  <MolWeight> (395)
242.22856

>  <Item Name> (395)
Telbivudine (Sebivo, Tyzeka)

>  <Catalog Number> (395)
S1651

>  <Synonyms> (395)
N/A

>  <Target> (395)
Reverse Transcriptase

>  <Form> (395)
Free Base

>  <URL> (395)
http://www.selleckchem.com/products/Telbivudine(Sebivo).html

>  <CAS Number> (395)
3424-98-4

$$$$
BENOQUIN (monobenzone).cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (396)
396

>  <Formula> (396)
C13H12O2

>  <MolWeight> (396)
200.23318

>  <Item Name> (396)
Monobenzone (Benoquin)

>  <Catalog Number> (396)
S1652

>  <Synonyms> (396)
Benoquin

>  <Target> (396)
Tyrosinase

>  <Form> (396)
Free Base

>  <URL> (396)
http://www.selleckchem.com/products/Monobenzone(Benoquin).html

>  <CAS Number> (396)
103-16-2

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (397)
397

>  <Formula> (397)
C20H28O2

>  <MolWeight> (397)
300.43512

>  <Item Name> (397)
All-trans Retinoic Acid (Tretinoin)

>  <Catalog Number> (397)
S1653

>  <Synonyms> (397)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (397)
Retinoid Receptor

>  <Form> (397)
Free Base

>  <URL> (397)
http://www.selleckchem.com/products/Tretinoin(Aberela).html

>  <CAS Number> (397)
302-79-4

$$$$
AZOLID (phenylbutazone).cdx
csChFnd80/10101813032D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.5403    4.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5403    3.0353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6947    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    4.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    5.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    6.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    7.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    6.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3029    1.2758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3029    6.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0898    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7874    2.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1825    2.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8801    1.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  6  1  0  0  0  0
  7 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  7  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  2  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (398)
398

>  <Formula> (398)
C19H20N2O2

>  <MolWeight> (398)
308.3743

>  <Item Name> (398)
Phenylbutazone (Butazolidin, Butatron)

>  <Catalog Number> (398)
S1654

>  <Synonyms> (398)
Bute, Butazolidin, Butatron 

>  <Target> (398)
COX

>  <Form> (398)
Free Base

>  <URL> (398)
http://www.selleckchem.com/products/Phenylbutazone(Butazolidin).html

>  <CAS Number> (398)
50-33-9

$$$$
EZETIMIBE (ezetimibe).cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1049    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7157    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7157    6.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  1  0  0  0  0
  8 15  1  1  0  0  0
 11 10  1  6  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 14 24  1  1  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (399)
399

>  <Formula> (399)
C24H21F2NO3

>  <MolWeight> (399)
409.4252464

>  <Item Name> (399)
Ezetimibe (Zetia)

>  <Catalog Number> (399)
S1655

>  <Synonyms> (399)
Zetia, Ezetrol

>  <Target> (399)
Others

>  <Form> (399)
Free Base

>  <URL> (399)
http://www.selleckchem.com/products/Ezetimibe(Zetia).html

>  <CAS Number> (399)
163222-33-1

$$$$
TIKOSYN (dofetilide).cdx
csChFnd80/10101813032D

 29 30  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2183    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3527    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.5609    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6527    2.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3426    3.2052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  2  0  0  0  0
M  END
>  <Mol_ID> (400)
400

>  <Formula> (400)
C19H27N3O5S2

>  <MolWeight> (400)
441.56478

>  <Item Name> (400)
Dofetilide (Tikosyn)

>  <Catalog Number> (400)
S1658

>  <Synonyms> (400)
Tikosyn, UK68798

>  <Target> (400)
Potassium Channel

>  <Form> (400)
Free Base

>  <URL> (400)
http://www.selleckchem.com/products/Dofetilide(Tikosyn).html

>  <CAS Number> (400)
115256-11-6

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4165    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    5.5563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    6.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    7.8215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
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 22 27  2  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (401)
401

>  <Formula> (401)
C19H21N3O5

>  <MolWeight> (401)
371.38714

>  <Item Name> (401)
Isradipine (Dynacirc)

>  <Catalog Number> (401)
S1662

>  <Synonyms> (401)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin 

>  <Target> (401)
Calcium Channel

>  <Form> (401)
Free Base

>  <URL> (401)
http://www.selleckchem.com/products/Isradipine(Dynacirc).html

>  <CAS Number> (401)
75695-93-1

$$$$
ESTROGENIC SUBSTANCE (estrone).cdx
csChFnd80/10101813032D

 23 26  0  0  0  0  0  0  0  0999 V2000
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    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (402)
402

>  <Formula> (402)
C18H22O2

>  <MolWeight> (402)
270.36608

>  <Item Name> (402)
Estrone

>  <Catalog Number> (402)
S1665

>  <Synonyms> (402)
Oestrone

>  <Target> (402)
Estrogen/progestogen Receptor

>  <Form> (402)
Free Base

>  <URL> (402)
http://www.selleckchem.com/products/Estrone.html

>  <CAS Number> (402)
53-16-7 

$$$$
ANCOBON (flucytosine).cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (403)
403

>  <Formula> (403)
C4H4FN3O

>  <MolWeight> (403)
129.0924632

>  <Item Name> (403)
Flucytosine (Ancobon)

>  <Catalog Number> (403)
S1666

>  <Synonyms> (403)
5-fluorocytosine, Ancotil

>  <Target> (403)
Antifection

>  <Form> (403)
Free Base

>  <URL> (403)
http://www.selleckchem.com/products/Flucytosine(Ancobon).html

>  <CAS Number> (403)
2022-85-7

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/10101813032D

 35 38  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9441    5.2602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9306    6.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2782    5.8857    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8872    6.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5249    7.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8973    5.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5114    8.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1503   10.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  2  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 12 26  1  1  0  0  0
 14 27  1  1  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (404)
404

>  <Formula> (404)
C24H31ClO7

>  <MolWeight> (404)
466.95174

>  <Item Name> (404)
Loteprednol etabonate

>  <Catalog Number> (404)
S1669

>  <Synonyms> (404)
Alrex, Lotemax

>  <Target> (404)
Glucocorticoid Receptor

>  <Form> (404)
Free Base

>  <URL> (404)
http://www.selleckchem.com/products/Loteprednol-etabonate.html

>  <CAS Number> (404)
82034-46-6

$$$$
AMINOCAPROIC ACID (aminocaproic acid).cdx
csChFnd80/10101813032D

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (405)
405

>  <Formula> (405)
C6H13NO2

>  <MolWeight> (405)
131.17292

>  <Item Name> (405)
£¨6-£©¦Å-Aminocaproic acid 

>  <Catalog Number> (405)
S1671

>  <Synonyms> (405)
Amicar, ¦Å-amino caproic acid, ¦Å-Ahx, 6-aminohexanoic acid

>  <Target> (405)
Others

>  <Form> (405)
Free Base

>  <URL> (405)
http://www.selleckchem.com/products/Aminocaproic-acid(Amicar).html

>  <CAS Number> (405)
60-32-2

$$$$
Pregnenolone.cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  1  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
M  END
>  <Mol_ID> (406)
406

>  <Formula> (406)
C21H32O2

>  <MolWeight> (406)
316.47758

>  <Item Name> (406)
Pregnenolone

>  <Catalog Number> (406)
S1914

>  <Synonyms> (406)
N/A

>  <Target> (406)
Estrogen/progestogen Receptor

>  <Form> (406)
Free Base

>  <URL> (406)
http://www.selleckchem.com/products/pregnenolone.html

>  <CAS Number> (406)
145-13-1

$$$$
AMINOPHYLLINE (aminophylline).cdx
csChFnd80/10101813032D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.7540    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1747    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3829    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    7.3257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    9.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    7.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    6.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    9.1559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    8.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    6.8937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    6.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    9.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   10.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    5.2285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    0.3349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    1.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    2.4322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    1.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   -0.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    2.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    1.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805   -0.0971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427   -0.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    2.4322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    3.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   -1.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 16  1  0  0  0  0
 10 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  2  0  0  0  0
 20 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (407)
407

>  <Formula> (407)
C16H24N10O4

>  <MolWeight> (407)
420.42636

>  <Item Name> (407)
Aminophylline (Truphylline)

>  <Catalog Number> (407)
S1673

>  <Synonyms> (407)
Somopphyllin, Aminocadol, Phyllocontin 

>  <Target> (407)
PDE

>  <Form> (407)
Ethylenediamine

>  <URL> (407)
http://www.selleckchem.com/products/Aminophylline(Truphylline).html

>  <CAS Number> (407)
317-34-0 

$$$$
Amorolfine Hydrochloride.cdx
csChFnd80/10101813032D

 24 24  0  0  0  0  0  0  0  0999 V2000
    3.6289    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    1.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.9875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6784    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3115    3.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.9875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0991    5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 20 22  1  1  0  0  0
 18 23  1  1  0  0  0
M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C21H36ClNO

>  <MolWeight> (408)
353.96964

>  <Item Name> (408)
Amorolfine Hydrochloride

>  <Catalog Number> (408)
S1676

>  <Synonyms> (408)
Amorolfin, Curanail, Loceryl, Locetar, Odenil 

>  <Target> (408)
Antifection

>  <Form> (408)
Hydrochloride

>  <URL> (408)
http://www.selleckchem.com/products/Amorolfine-Hydrochloride.html

>  <CAS Number> (408)
78613-38-4

$$$$
AMPHICOL (chloramphenicol).cdx
csChFnd80/10101813032D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4024    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2873    3.5049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2873    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    5.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    5.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 10 18  1  1  0  0  0
 11 19  1  1  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (409)
409

>  <Formula> (409)
C11H12Cl2N2O5

>  <MolWeight> (409)
323.12938

>  <Item Name> (409)
Chloramphenicol (Chloromycetin)

>  <Catalog Number> (409)
S1677

>  <Synonyms> (409)
Alficetyn, Chlornitromycin, Chloromycetin 

>  <Target> (409)
Antifection

>  <Form> (409)
Free Base

>  <URL> (409)
http://www.selleckchem.com/products/Chloramphenicol(Chloromycetin).html

>  <CAS Number> (409)
56-75-7

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/10101813032D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
>  <Mol_ID> (410)
410

>  <Formula> (410)
C10H20N2S4

>  <MolWeight> (410)
296.5392

>  <Item Name> (410)
Disulfiram (Antabuse)

>  <Catalog Number> (410)
S1680

>  <Synonyms> (410)
Antabuse, Antabus

>  <Target> (410)
Dehydrogenase

>  <Form> (410)
Free Base

>  <URL> (410)
http://www.selleckchem.com/products/Disulfiram(Antabuse).html

>  <CAS Number> (410)
97-77-8

$$$$
APRISO (mesalamine).cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (411)
411

>  <Formula> (411)
C7H7NO3

>  <MolWeight> (411)
153.13538

>  <Item Name> (411)
Mesalamine (Lialda)

>  <Catalog Number> (411)
S1681

>  <Synonyms> (411)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (411)
I¦ÊB/IKK

>  <Form> (411)
Free Base

>  <URL> (411)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

>  <CAS Number> (411)
89-57-6

$$$$
ATROVENT HFA (ipratropium bromide).cdx
csChFnd80/10101813032D

 25 26  0  0  0  0  0  0  0  0999 V2000
    5.0421    9.6192    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.3523    5.0254    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0495    4.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6477    5.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9308    6.3381    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3523    7.7893    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    3.2163    5.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    4.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    8.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    8.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8396   10.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    2.0951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1827    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6034    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8116    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6076    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6076    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 18  1  0  0  0  0
M  END
>  <Mol_ID> (412)
412

>  <Formula> (412)
C20H30BrNO3

>  <MolWeight> (412)
412.3611

>  <Item Name> (412)
Ipratropium bromide

>  <Catalog Number> (412)
S1683

>  <Synonyms> (412)
Atrovent, Apovent, Aerovent

>  <Target> (412)
AChR

>  <Form> (412)
Bromide

>  <URL> (412)
http://www.selleckchem.com/products/Ipratropium-bromide.html

>  <CAS Number> (412)
22254-24-6

$$$$
BETAMETHASONE DIPROPIONATE (betamethasone dipropionate).cdx
csChFnd80/10101813032D

 38 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5771    6.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5636    7.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9112    7.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8977    8.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2025    8.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9119    4.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  2  0  0  0  0
 17 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 10 37  1  6  0  0  0
 11 38  1  6  0  0  0
M  END
>  <Mol_ID> (413)
413

>  <Formula> (413)
C28H37FO7

>  <MolWeight> (413)
504.5875832

>  <Item Name> (413)
Betamethasone Dipropionate (Diprolene)

>  <Catalog Number> (413)
S1688

>  <Synonyms> (413)
Diprospan, Diprolene, Diprosone, Diprolene AF 

>  <Target> (413)
Glucocorticoid Receptor

>  <Form> (413)
Free Base

>  <URL> (413)
http://www.selleckchem.com/products/Betamethasone-Dipropionate(Diprolene).html

>  <CAS Number> (413)
5593-20-4

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9394    5.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    6.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  2  0  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 17 26  1  6  0  0  0
 17 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (414)
414

>  <Formula> (414)
C22H28O5

>  <MolWeight> (414)
372.45472

>  <Item Name> (414)
Betapar (Meprednisone)

>  <Catalog Number> (414)
S1689

>  <Synonyms> (414)
Betanisona

>  <Target> (414)
Glucocorticoid Receptor

>  <Form> (414)
Free Base

>  <URL> (414)
http://www.selleckchem.com/products/Betapar(Meprednisone).html

>  <CAS Number> (414)
1247-42-3

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/10101813032D

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5771    6.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9119    4.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5942    7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9942    7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 17 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 10 33  1  6  0  0  0
 11 34  1  6  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (415)
415

>  <Formula> (415)
C27H37FO6

>  <MolWeight> (415)
476.5774832

>  <Item Name> (415)
Betamethasone valerate (Betnovate)

>  <Catalog Number> (415)
S1690

>  <Synonyms> (415)
Betnovate, Celestone, Betaderm, Luxiq

>  <Target> (415)
Glucocorticoid Receptor

>  <Form> (415)
Free Base

>  <URL> (415)
http://www.selleckchem.com/products/Betamethasone-valerate(Betnovate).html

>  <CAS Number> (415)
2152-44-5 

$$$$
BILTRICIDE (praziquantel).cdx
csChFnd80/10101813032D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
M  END
>  <Mol_ID> (416)
416

>  <Formula> (416)
C19H24N2O2

>  <MolWeight> (416)
312.40606

>  <Item Name> (416)
Praziquantel (Biltricide)

>  <Catalog Number> (416)
S1691

>  <Synonyms> (416)
Droncit

>  <Target> (416)
Antifection

>  <Form> (416)
Free Base

>  <URL> (416)
http://www.selleckchem.com/products/Praziquantel(Biltricide).html

>  <CAS Number> (416)
55268-74-1

$$$$
BUSULFEX (busulfan).cdx
csChFnd80/10101813032D

 14 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    1.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    1.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    3.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    3.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0013    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4061    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (417)
417

>  <Formula> (417)
C6H14O6S2

>  <MolWeight> (417)
246.30176

>  <Item Name> (417)
Busulfan (Myleran, Busulfex)

>  <Catalog Number> (417)
S1692

>  <Synonyms> (417)
Myleran, Busulfex

>  <Target> (417)
NULL

>  <Form> (417)
Free Base

>  <URL> (417)
http://www.selleckchem.com/products/Busulfan(Busulfex).html

>  <CAS Number> (417)
55-98-1

$$$$
GEMCITABINE (gemcitabine).cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    2.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.2685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3571    4.4810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9877    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245    5.7555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120    1.8482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    4.5523    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    5.5899    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9  5  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 11 14  1  1  0  0  0
 12 15  1  6  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (418)
418

>  <Formula> (418)
C9H11F2N3O4

>  <MolWeight> (418)
263.1981464

>  <Item Name> (418)
Gemcitabine (Gemzar)

>  <Catalog Number> (418)
S1714

>  <Synonyms> (418)
Gemzar

>  <Target> (418)
Autophagy,DNA/RNA Synthesis

>  <Form> (418)
Free Base

>  <URL> (418)
http://www.selleckchem.com/products/Gemcitabine(Gemzar).html

>  <CAS Number> (418)
95058-81-4 

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/10101813032D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.9370    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  4  1  0  0  0  0
  2 17  2  0  0  0  0
  2 18  1  0  0  0  0
M  END
>  <Mol_ID> (419)
419

>  <Formula> (419)
C15H12N2O

>  <MolWeight> (419)
236.26858

>  <Item Name> (419)
Carbamazepine (Carbatrol)

>  <Catalog Number> (419)
S1693

>  <Synonyms> (419)
Equetro, Tegretol, Biston 

>  <Target> (419)
Autophagy,Sodium Channel

>  <Form> (419)
Free Base

>  <URL> (419)
http://www.selleckchem.com/products/Carbamazepine(Carbatrol).html

>  <CAS Number> (419)
298-46-4

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/10101813032D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8288    7.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9798    4.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 14 24  1  1  0  0  0
 17 25  1  1  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 17 29  1  6  0  0  0
M  END
>  <Mol_ID> (420)
420

>  <Formula> (420)
C21H30O5

>  <MolWeight> (420)
362.4599

>  <Item Name> (420)
Hydrocortisone (Cortisol)

>  <Catalog Number> (420)
S1696

>  <Synonyms> (420)
Cortisol

>  <Target> (420)
Glucocorticoid Receptor

>  <Form> (420)
Free Base

>  <URL> (420)
http://www.selleckchem.com/products/Hydrocortisone.html

>  <CAS Number> (420)
50-23-7

$$$$
DESOWEN (desonide).cdx
csChFnd80/10101813032D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1186    6.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    5.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1248    2.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8671    8.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 14 26  1  1  0  0  0
 12 27  1  1  0  0  0
 16 28  1  1  0  0  0
 10 29  1  6  0  0  0
 11 30  1  6  0  0  0
 17 31  1  1  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (421)
421

>  <Formula> (421)
C24H32O6

>  <MolWeight> (421)
416.50728

>  <Item Name> (421)
Desonide

>  <Catalog Number> (421)
S1701

>  <Synonyms> (421)
Locapred, Topifug, Tridesilon

>  <Target> (421)
Glucocorticoid Receptor

>  <Form> (421)
Free Base

>  <URL> (421)
http://www.selleckchem.com/products/Desonide.html

>  <CAS Number> (421)
638-94-8

$$$$
DIDANOSINE (didanosine).cdx
csChFnd80/10101813032D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4032    4.1388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4032    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    3.4388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7347    4.5714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    4.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7756    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071    4.1388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7756    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4846    0.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    0.4326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1475    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4744    2.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  1  0  0  0  0
 16 17  2  0  0  0  0
  4  8  1  1  0  0  0
M  END
>  <Mol_ID> (422)
422

>  <Formula> (422)
C10H12N4O3

>  <MolWeight> (422)
236.22728

>  <Item Name> (422)
Didanosine (Videx)

>  <Catalog Number> (422)
S1702

>  <Synonyms> (422)
Videx EC 

>  <Target> (422)
NULL

>  <Form> (422)
Free Base

>  <URL> (422)
http://www.selleckchem.com/products/Didanosine(Videx).html

>  <CAS Number> (422)
69655-05-6

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/10101813032D

 21 18  0  0  0  0  0  0  0  0999 V2000
    2.7976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   16.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   13.2726    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5107    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.8951   15.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   13.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   15.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4639   16.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615   11.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (423)
423

>  <Formula> (423)
C16H31NaO4

>  <MolWeight> (423)
310.40471

>  <Item Name> (423)
Divalproex sodium

>  <Catalog Number> (423)
S1703

>  <Synonyms> (423)
Depakote, Epival

>  <Target> (423)
HDAC

>  <Form> (423)
Sodium Salt

>  <URL> (423)
http://www.selleckchem.com/products/Divalproex-sodium.html

>  <CAS Number> (423)
76584-70-8

$$$$
ENDOMETRIN (progesterone).cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3853    6.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0727    6.9715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  5 21  1  1  0  0  0
  9 22  1  1  0  0  0
 12 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (424)
424

>  <Formula> (424)
C21H30O2

>  <MolWeight> (424)
314.4617

>  <Item Name> (424)
Progesterone (Prometrium)

>  <Catalog Number> (424)
S1705

>  <Synonyms> (424)
Prometrium, Agolutin, Corlutin

>  <Target> (424)
Estrogen/progestogen Receptor

>  <Form> (424)
Free Base

>  <URL> (424)
http://www.selleckchem.com/products/Progesterone(Prometrium).html

>  <CAS Number> (424)
57-83-0

$$$$
EPIVIR (lamivudine).cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1203    2.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.2685    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3571    4.4810    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    4.2514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  9  5  1  6  0  0  0
 11 14  1  6  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (425)
425

>  <Formula> (425)
C8H11N3O3S

>  <MolWeight> (425)
229.25624

>  <Item Name> (425)
Lamivudine (Epivir)

>  <Catalog Number> (425)
S1706

>  <Synonyms> (425)
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV 

>  <Target> (425)
Reverse Transcriptase

>  <Form> (425)
Free Base

>  <URL> (425)
http://www.selleckchem.com/products/Lamivudine(Epivir).html

>  <CAS Number> (425)
134678-17-4

$$$$
estradiol.cdx
csChFnd80/10101813032D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
M  END
>  <Mol_ID> (426)
426

>  <Formula> (426)
C18H24O2

>  <MolWeight> (426)
272.38196

>  <Item Name> (426)
Estradiol

>  <Catalog Number> (426)
S1709

>  <Synonyms> (426)
17¦Â-estradiol, oestradiol, 17¦Â-Oestradiol, ¦Â-Estradiol 

>  <Target> (426)
Estrogen/progestogen Receptor

>  <Form> (426)
Free Base

>  <URL> (426)
http://www.selleckchem.com/products/Estradiol.html

>  <CAS Number> (426)
50-28-2

$$$$
EXJADE (deferasirox).cdx
csChFnd80/10101813032D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.4813    6.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    5.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5813    5.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2813    6.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5813    7.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    7.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2788    4.1130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9165    2.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0906    1.9982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1786    2.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6769    4.1863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837    8.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    8.9544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813   10.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5262    2.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    2.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    3.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8886    1.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2409    0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2308    1.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8685    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5162    3.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1551    4.8557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 10 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 15 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 15  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (427)
427

>  <Formula> (427)
C21H15N3O4

>  <MolWeight> (427)
373.3615

>  <Item Name> (427)
Deferasirox (Exjade)

>  <Catalog Number> (427)
S1712

>  <Synonyms> (427)
Exjade, ICL-670, ICL-670A, CGP-72670 

>  <Target> (427)
P450 (e.g. CYP17)

>  <Form> (427)
Free Base

>  <URL> (427)
http://www.selleckchem.com/products/Deferasirox(Exjade).html

>  <CAS Number> (427)
201530-41-8

$$$$
DCC-2036.cdx
csChFnd80/10101813032D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.3036    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    4.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    2.7704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1945    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    2.0728    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0688   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   10.2127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 13  8  1  0  0  0  0
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 14 15  1  0  0  0  0
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 25 26  2  0  0  0  0
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 27 23  2  0  0  0  0
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 28 30  1  0  0  0  0
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M  END
>  <Mol_ID> (428)
428

>  <Formula> (428)
C30H28FN7O3

>  <MolWeight> (428)
553.5868232

>  <Item Name> (428)
DCC-2036 (Rebastinib)

>  <Catalog Number> (428)
S2634

>  <Synonyms> (428)
N/A 

>  <Target> (428)
Bcr-Abl

>  <Form> (428)
Free Base

>  <URL> (428)
http://www.selleckchem.com/products/dcc-2036.html

>  <CAS Number> (428)
1020172-07-9

$$$$
FELDENE (piroxicam).cdx
csChFnd80/10101813032D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15  9  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 15 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  2  0  0  0  0
 12 23  2  0  0  0  0
M  END
>  <Mol_ID> (429)
429

>  <Formula> (429)
C15H13N3O4S

>  <MolWeight> (429)
331.34642

>  <Item Name> (429)
Piroxicam (Feldene)

>  <Catalog Number> (429)
S1713

>  <Synonyms> (429)
Roxam

>  <Target> (429)
COX 

>  <Form> (429)
Free Base

>  <URL> (429)
http://www.selleckchem.com/products/Piroxicam(Feldene).html

>  <CAS Number> (429)
36322-90-4

$$$$
GLIPIZIDE (glipizide).cdx
csChFnd80/10101813032D

 31 33  0  0  0  0  0  0  0  0999 V2000
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9320    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1444    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1444    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5651    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 11  1  0  0  0  0
  9 17  2  0  0  0  0
  7 18  2  0  0  0  0
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  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 24  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (430)
430

>  <Formula> (430)
C21H27N5O4S

>  <MolWeight> (430)
445.53518

>  <Item Name> (430)
Glipizide (Glucotrol)

>  <Catalog Number> (430)
S1715

>  <Synonyms> (430)
Glucotrol XL 

>  <Target> (430)
Others

>  <Form> (430)
Free Base

>  <URL> (430)
http://www.selleckchem.com/products/Glipizide(Glucotrol).html

>  <CAS Number> (430)
29094-61-9

$$$$
GLYBURIDE (glyburide).cdx
csChFnd80/10101813032D

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5578    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9578    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7238    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1445    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9320    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1445    8.3903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.1445    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
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 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 24  1  0  0  0  0
 29 31  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C23H28ClN3O5S

>  <MolWeight> (431)
494.00352

>  <Item Name> (431)
Glyburide (Glibenclamide)

>  <Catalog Number> (431)
S1716

>  <Synonyms> (431)
Glibenclamide, Glycron, Glynase, Micronase, Daonil, Semi-Daonil, Euglucon, Delmide 

>  <Target> (431)
Potassium Channel

>  <Form> (431)
Free Base

>  <URL> (431)
http://www.selleckchem.com/products/Glyburide(Diabeta).html

>  <CAS Number> (431)
10238-21-8 

$$$$
HEPSERA (adefovir dipivoxil).cdx
csChFnd80/10101813032D

 34 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    9.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    7.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    6.9702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    7.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    9.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    9.5028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    7.2376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    5.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0353    5.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (432)
432

>  <Formula> (432)
C20H32N5O8P

>  <MolWeight> (432)
501.470541

>  <Item Name> (432)
Adefovir Dipivoxil (Preveon, Hepsera)

>  <Catalog Number> (432)
S1718

>  <Synonyms> (432)
Bis-POM PMEA, Preveon, Hepsera 

>  <Target> (432)
Reverse Transcriptase

>  <Form> (432)
Free Base

>  <URL> (432)
http://www.selleckchem.com/products/Adefovir-Dipivoxil(Preveon).html

>  <CAS Number> (432)
142340-99-6

$$$$
HIVID (zalcitabine).cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C9H13N3O3

>  <MolWeight> (433)
211.21782

>  <Item Name> (433)
Zalcitabine

>  <Catalog Number> (433)
S1719

>  <Synonyms> (433)
Hivid, Dideoxycytidine 

>  <Target> (433)
Reverse Transcriptase

>  <Form> (433)
Free Base

>  <URL> (433)
http://www.selleckchem.com/products/Zalcitabine.html

>  <CAS Number> (433)
7481-89-2

$$$$
IMURAN (azathioprine).cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    2.8151    8.5904    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6467    2.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 16 17  2  0  0  0  0
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M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C9H7N7O2S

>  <MolWeight> (434)
277.26258

>  <Item Name> (434)
Azathioprine (Azasan, Imuran)

>  <Catalog Number> (434)
S1721

>  <Synonyms> (434)
Azasan, Imuran, Azamun, BW-57-322, NSC-39084 

>  <Target> (434)
Rho

>  <Form> (434)
Free Base

>  <URL> (434)
http://www.selleckchem.com/products/Azathioprine(Azasan).html

>  <CAS Number> (434)
446-86-6

$$$$
INDOCIN (indomethacin).cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    5.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    2.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1728    5.2090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (435)
435

>  <Formula> (435)
C19H16ClNO4

>  <MolWeight> (435)
357.78764

>  <Item Name> (435)
Indomethacin (Indocid, Indocin)

>  <Catalog Number> (435)
S1723

>  <Synonyms> (435)
Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin

>  <Target> (435)
COX

>  <Form> (435)
Free Base

>  <URL> (435)
http://www.selleckchem.com/products/Indomethacin(Indocid).html

>  <CAS Number> (435)
53-86-1

$$$$
Levonorgestrel.cdx
csChFnd80/10101813032D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (436)
436

>  <Formula> (436)
C21H28O2

>  <MolWeight> (436)
312.44582

>  <Item Name> (436)
Levonorgestrel (Levonelle)

>  <Catalog Number> (436)
S1727

>  <Synonyms> (436)
Levonelle, D-Norgestrel, Levonova

>  <Target> (436)
Estrogen/progestogen Receptor

>  <Form> (436)
Free Base

>  <URL> (436)
http://www.selleckchem.com/products/Levonorgestrel(Levonelle).html

>  <CAS Number> (436)
797-63-7

$$$$
LOPID (gemfibrozil).cdx
csChFnd80/10101813032D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4333    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7931    5.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1979    5.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (437)
437

>  <Formula> (437)
C15H22O3

>  <MolWeight> (437)
250.33338

>  <Item Name> (437)
Gemfibrozil (Lopid)

>  <Catalog Number> (437)
S1729

>  <Synonyms> (437)
Gemcor, Lopid, Jezil, Gen-Fibro

>  <Target> (437)
PPAR

>  <Form> (437)
Free Base

>  <URL> (437)
http://www.selleckchem.com/products/Gemfibrozil(Lopid).html

>  <CAS Number> (437)
25812-30-0

$$$$
LOZOL (indapamide).cdx
csChFnd80/10101813032D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.6425    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6425    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    5.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2756    5.1210    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.2756    2.3259    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4838    3.0234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5756    1.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9756    1.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4342    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2260    3.0234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4342    0.9307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    2.3259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    1.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    0.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    0.9335    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3062    4.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    2.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9082    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (438)
438

>  <Formula> (438)
C16H16ClN3O3S

>  <MolWeight> (438)
365.83454

>  <Item Name> (438)
Indapamide (Lozol)

>  <Catalog Number> (438)
S1730

>  <Synonyms> (438)
Arifon, Fludex, Noranat, Veroxil, Tertensif

>  <Target> (438)
Others

>  <Form> (438)
Free Base

>  <URL> (438)
http://www.selleckchem.com/products/Indapamide(Lozol).html

>  <CAS Number> (438)
26807-65-8

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.4248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0330    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    7.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3876    6.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
  7 27  1  6  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
M  END
>  <Mol_ID> (439)
439

>  <Formula> (439)
C22H30O5

>  <MolWeight> (439)
374.4706

>  <Item Name> (439)
Methylprednisolone

>  <Catalog Number> (439)
S1733

>  <Synonyms> (439)
Medrol, Solu-Medrol, Medrone

>  <Target> (439)
Glucocorticoid Receptor

>  <Form> (439)
Free Base

>  <URL> (439)
http://www.selleckchem.com/products/Methylprednisolone.html

>  <CAS Number> (439)
83-43-2

$$$$
MELOXICAM (meloxicam).cdx
csChFnd80/10101813032D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2279    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2279    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8652    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0777    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0777    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8652    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    5.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7404    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1404    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    5.4023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    5.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243    3.4406    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  2  0  0  0  0
  3 14  2  0  0  0  0
  1 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (440)
440

>  <Formula> (440)
C14H13N3O4S2

>  <MolWeight> (440)
351.40072

>  <Item Name> (440)
Meloxicam (Mobic)

>  <Catalog Number> (440)
S1734

>  <Synonyms> (440)
Metacam, Parocin 

>  <Target> (440)
COX

>  <Form> (440)
Free Base

>  <URL> (440)
http://www.selleckchem.com/products/Meloxicam(Mobic).html

>  <CAS Number> (440)
71125-38-7

$$$$
Mesna.cdx
csChFnd80/10101813032D

  8  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.6976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0664    1.4000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  2  0  0  0  0
M  END
>  <Mol_ID> (441)
441

>  <Formula> (441)
C2H5NaO3S2

>  <MolWeight> (441)
164.17907

>  <Item Name> (441)
Mesna (Uromitexan, Mesnex)

>  <Catalog Number> (441)
S1735

>  <Synonyms> (441)
Uromitexan, Mesnex

>  <Target> (441)
Others

>  <Form> (441)
Sodium Salt

>  <URL> (441)
http://www.selleckchem.com/products/Mesna(Uromitexan).html

>  <CAS Number> (441)
19767-45-4

$$$$
METHOCARBAMOL (methocarbamol).cdx
csChFnd80/10101813032D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    7.0122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (442)
442

>  <Formula> (442)
C11H15NO5

>  <MolWeight> (442)
241.2405

>  <Item Name> (442)
Methocarbamol (Robaxin)

>  <Catalog Number> (442)
S1736

>  <Synonyms> (442)
Robaxin

>  <Target> (442)
Carbonic Anhydrase

>  <Form> (442)
Free Base

>  <URL> (442)
http://www.selleckchem.com/products/Methocarbamol(Robaxin).html

>  <CAS Number> (442)
532-03-6

$$$$
MICARDIS (telmisartan).cdx
csChFnd80/10101813032D

 39 44  0  0  0  0  0  0  0  0999 V2000
    2.4165   11.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165   10.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   11.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   12.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    9.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    7.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    5.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6650   10.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1633   11.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7805   11.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994   10.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2460    7.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
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 25 21  1  0  0  0  0
 18 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
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 33 29  2  0  0  0  0
 31 34  1  0  0  0  0
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 30 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
>  <Mol_ID> (443)
443

>  <Formula> (443)
C33H30N4O2

>  <MolWeight> (443)
514.6169

>  <Item Name> (443)
Telmisartan (Micardis)

>  <Catalog Number> (443)
S1738

>  <Synonyms> (443)
Targit

>  <Target> (443)
RAAS

>  <Form> (443)
Free Base

>  <URL> (443)
http://www.selleckchem.com/products/Telmisartan(Micardis).html

>  <CAS Number> (443)
144701-48-4

$$$$
MINTEZOL (thiabendazole).cdx
csChFnd80/10101813032D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.7000    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1062    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4756    2.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1756    3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2388    4.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9599    4.2876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5450    4.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9776    5.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6714    6.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  6  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <Mol_ID> (444)
444

>  <Formula> (444)
C10H7N3S

>  <MolWeight> (444)
201.24768

>  <Item Name> (444)
Thiabendazole

>  <Catalog Number> (444)
S1739

>  <Synonyms> (444)
Mintezol, Equizole

>  <Target> (444)
P450 (e.g. CYP17)

>  <Form> (444)
Free Base

>  <URL> (444)
http://www.selleckchem.com/products/Thiabendazole.html

>  <CAS Number> (444)
148-79-8

$$$$
MUCINEX (guaifenesin).cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2578    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (445)
445

>  <Formula> (445)
C10H14O4

>  <MolWeight> (445)
198.21576

>  <Item Name> (445)
Guaifenesin (Guaiphenesin)

>  <Catalog Number> (445)
S1740

>  <Synonyms> (445)
Guaiphenesin, Glyceryl guaiacolate

>  <Target> (445)
Others

>  <Form> (445)
Free Base

>  <URL> (445)
http://www.selleckchem.com/products/Guaifenesin(Guaiphenesin).html

>  <CAS Number> (445)
93-14-1

$$$$
NEVIRAPINE (nevirapine).cdx
csChFnd80/10101813032D

 20 23  0  0  0  0  0  0  0  0999 V2000
    3.9370    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    4.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    5.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    2.2676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    2.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    2.2676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6316    6.9363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  4  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  8  1  0  0  0  0
 12 17  1  0  0  0  0
  6 18  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
M  END
>  <Mol_ID> (446)
446

>  <Formula> (446)
C15H14N4O

>  <MolWeight> (446)
266.29786

>  <Item Name> (446)
Nevirapine (Viramune)

>  <Catalog Number> (446)
S1742

>  <Synonyms> (446)
Viramune, BI-RG 587

>  <Target> (446)
Reverse Transcriptase

>  <Form> (446)
Free Base

>  <URL> (446)
http://www.selleckchem.com/products/Nevirapine(Viramune).html

>  <CAS Number> (446)
129618-40-2

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/10101813032D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    5.6073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4955    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7079    6.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5577    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 11 13  1  0  0  0  0
  5 16  1  0  0  0  0
  1 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  2  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 25 30  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (447)
447

>  <Formula> (447)
C21H26N2O7

>  <MolWeight> (447)
418.44034

>  <Item Name> (447)
Nimodipine (Nimotop)

>  <Catalog Number> (447)
S1747

>  <Synonyms> (447)
Nimotop

>  <Target> (447)
Autophagy,Calcium Channel

>  <Form> (447)
Free Base

>  <URL> (447)
http://www.selleckchem.com/products/Nimodipine(Nimotop).html

>  <CAS Number> (447)
66085-59-4

$$$$
OXYTROL (oxybutynin).cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.9397    4.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397    5.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9397    6.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5397    6.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8397    5.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5397    4.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6800    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8855    4.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934    3.4896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3020    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0926    2.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5098    3.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3050    1.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 11 16  1  0  0  0  0
  7 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  3  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (448)
448

>  <Formula> (448)
C22H31NO3

>  <MolWeight> (448)
357.48644

>  <Item Name> (448)
Oxybutynin (Ditropan)

>  <Catalog Number> (448)
S1754

>  <Synonyms> (448)
Ditropan, Lyrinel XL, Oxytrol 

>  <Target> (448)
AChR

>  <Form> (448)
Free Base

>  <URL> (448)
http://www.selleckchem.com/products/Oxybutynin(Ditropan).html

>  <CAS Number> (448)
5633-20-5

$$$$
Pitavastatin calcium.cdx
csChFnd80/10101813032D

 63 68  0  0  0  0  0  0  0  0999 V2000
   12.5069    5.8382    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.1925   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    9.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    9.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363    8.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151    7.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150    8.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   13.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8297   17.8076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   12.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2938   11.1190    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3939   10.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725   10.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0935   13.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9934   14.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5146   15.6518    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    0.1925    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   -2.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8297    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9151   -3.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2938   -0.3608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3939   -1.4332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9934    2.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5146    4.1721    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.3721    2.6134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9511    0.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 10 22  1  0  0  0  0
 22 23  2  3  0  0  0
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 24 25  1  6  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 27 32  1  6  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 40 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 43  1  0  0  0  0
 42 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 46  1  0  0  0  0
 49 52  1  0  0  0  0
 41 53  1  0  0  0  0
 53 54  2  3  0  0  0
 55 54  1  0  0  0  0
 55 56  1  6  0  0  0
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 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 60 62  2  0  0  0  0
 58 63  1  6  0  0  0
M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (449)
449

>  <Formula> (449)
C50H46CaF2N2O8

>  <MolWeight> (449)
880.9836464

>  <Item Name> (449)
Pitavastatin calcium (Livalo)

>  <Catalog Number> (449)
S1759

>  <Synonyms> (449)
Livalo

>  <Target> (449)
HMG-CoA Reductase

>  <Form> (449)
Calcium salt

>  <URL> (449)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

>  <CAS Number> (449)
147526-32-7

$$$$
PYRAZINAMIDE (pyrazinamide).cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (450)
450

>  <Formula> (450)
C5H5N3O

>  <MolWeight> (450)
123.1127

>  <Item Name> (450)
Pyrazinamide (Pyrazinoic acid amide)

>  <Catalog Number> (450)
S1762

>  <Synonyms> (450)
Pezetamid, Pyrafat, Zinamide, Tebrazid, Pyrafat 

>  <Target> (450)
Antifection

>  <Form> (450)
Free Base

>  <URL> (450)
http://www.selleckchem.com/products/Pyrazinamide(Pyrazinoic-acid-amide).html

>  <CAS Number> (450)
98-96-4

$$$$
QUETIAPINE FUMARATE (quetiapine fumarate).cdx
csChFnd80/10101813032D

 62 67  0  0  0  0  0  0  0  0999 V2000
    9.8895    4.9364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1020    5.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3102    4.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5184    5.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7266    4.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9349    5.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7266    3.5436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1020    7.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4476   14.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577   13.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5693   12.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8726   11.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3233    3.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (451)
451

>  <Formula> (451)
C46H54N6O8S2

>  <MolWeight> (451)
883.08636

>  <Item Name> (451)
Quetiapine fumarate (Seroquel)

>  <Catalog Number> (451)
S1763

>  <Synonyms> (451)
ICI-204636, ZD 5077, ZM 204636, Seroquel XR 

>  <Target> (451)
Dopamine Receptor

>  <Form> (451)
Fumarate

>  <URL> (451)
http://www.selleckchem.com/products/Quetiapine-fumarate(Seroquel).html

>  <CAS Number> (451)
111974-72-2

$$$$
SPECTRACEF (cefditoren pivoxil).cdx
csChFnd80/10101813032D

 42 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (452)
452

>  <Formula> (452)
C25H28N6O7S3

>  <MolWeight> (452)
620.72082

>  <Item Name> (452)
Cefditoren pivoxil

>  <Catalog Number> (452)
S1768

>  <Synonyms> (452)
Spectracef , Meiact

>  <Target> (452)
5-alpha Reductase 

>  <Form> (452)
Free Base

>  <URL> (452)
http://www.selleckchem.com/products/Cefditoren-pivoxil.html

>  <CAS Number> (452)
117467-28-4 

$$$$
SULFADIAZINE (sulfadiazine).cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
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 16  9  1  0  0  0  0
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M  END
>  <Mol_ID> (453)
453

>  <Formula> (453)
C10H10N4O2S

>  <MolWeight> (453)
250.277

>  <Item Name> (453)
Sulfadiazine

>  <Catalog Number> (453)
S1770

>  <Synonyms> (453)
Adiazin, Adiazine, Debenal, Liquadiazine

>  <Target> (453)
Antifection

>  <Form> (453)
Free Base

>  <URL> (453)
http://www.selleckchem.com/products/Sulfadiazine.html

>  <CAS Number> (453)
68-35-9

$$$$
TARACTAN (chlorprothixene).cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3879    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (454)
454

>  <Formula> (454)
C18H18ClNS

>  <MolWeight> (454)
315.86022

>  <Item Name> (454)
Chlorprothixene

>  <Catalog Number> (454)
S1771

>  <Synonyms> (454)
Cloxan, Taractan, Truxal

>  <Target> (454)
Dopamine Receptor

>  <Form> (454)
Free Base

>  <URL> (454)
http://www.selleckchem.com/products/Chlorprothixene.html

>  <CAS Number> (454)
113-59-7

$$$$
TERRAMYCIN (oxytetracycline).cdx
csChFnd80/10101813032D

 35 38  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9035    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4686    1.1028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 10  5  1  0  0  0  0
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 14  9  2  0  0  0  0
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 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 10 23  2  0  0  0  0
 14 24  1  0  0  0  0
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 25 26  2  0  0  0  0
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 28 13  1  0  0  0  0
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 11 30  1  1  0  0  0
  5 31  1  6  0  0  0
  4 32  1  6  0  0  0
  7 33  1  6  0  0  0
  8 34  1  6  0  0  0
 11 35  1  6  0  0  0
M  END
>  <Mol_ID> (455)
455

>  <Formula> (455)
C22H24N2O9

>  <MolWeight> (455)
460.43396

>  <Item Name> (455)
Oxytetracycline (Terramycin)

>  <Catalog Number> (455)
S1773

>  <Synonyms> (455)
Terramycin, Liquamycin

>  <Target> (455)
NULL

>  <Form> (455)
Free Base

>  <URL> (455)
http://www.selleckchem.com/products/Oxytetracycline(Terramycin).html

>  <CAS Number> (455)
79-57-2

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/10101813032D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (456)
456

>  <Formula> (456)
C5H5N5S

>  <MolWeight> (456)
167.1917

>  <Item Name> (456)
Thioguanine

>  <Catalog Number> (456)
S1774

>  <Synonyms> (456)
6-Thioguanine

>  <Target> (456)
Others

>  <Form> (456)
Free Base

>  <URL> (456)
http://www.selleckchem.com/products/Thioguanine.html

>  <CAS Number> (456)
154-42-7

$$$$
Thiotepa.cdx
csChFnd80/10101813032D

 11 13  0  0  0  0  0  0  0  0999 V2000
    2.6124    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <Mol_ID> (457)
457

>  <Formula> (457)
C6H12N3PS

>  <MolWeight> (457)
189.218341

>  <Item Name> (457)
Thiotepa (Thioplex)

>  <Catalog Number> (457)
S1775

>  <Synonyms> (457)
Tiofosyl, Tiofosfamid, Triethylenethiophosphoramide 

>  <Target> (457)
Others

>  <Form> (457)
Free Base

>  <URL> (457)
http://www.selleckchem.com/products/Thiotepa(Thioplex).html

>  <CAS Number> (457)
52-24-4

$$$$
TRECATOR (ethionamide).cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (458)
458

>  <Formula> (458)
C8H10N2S

>  <MolWeight> (458)
166.2434

>  <Item Name> (458)
Ethionamide

>  <Catalog Number> (458)
S1777

>  <Synonyms> (458)
2-ethylthioisonicotinamide, Trecator SC, Amidazine 

>  <Target> (458)
Antifection

>  <Form> (458)
Free Base

>  <URL> (458)
http://www.selleckchem.com/products/Ethionamide.html

>  <CAS Number> (458)
536-33-4

$$$$
TRIFLURIDINE (trifluridine).cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.6782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.7782    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.8709    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.1758    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.2831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2880    2.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.1287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1207    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5533    2.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9006    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9407    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3282    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  2  0  0  0  0
  6  8  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
 15 18  1  1  0  0  0
 16 19  1  6  0  0  0
 19 20  1  0  0  0  0
 13  3  1  6  0  0  0
M  END
>  <Mol_ID> (459)
459

>  <Formula> (459)
C10H11F3N2O5

>  <MolWeight> (459)
296.1999496

>  <Item Name> (459)
Trifluridine (Viroptic)

>  <Catalog Number> (459)
S1778

>  <Synonyms> (459)
Viroptic, Trifluorothymidine

>  <Target> (459)
NULL

>  <Form> (459)
Free Base

>  <URL> (459)
http://www.selleckchem.com/products/Trifluridine(Viroptic).html

>  <CAS Number> (459)
70-00-8

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  5  7  1  1  0  0  0
  2  8  1  6  0  0  0
  4  9  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (460)
460

>  <Formula> (460)
C8H12N4O5

>  <MolWeight> (460)
244.20468

>  <Item Name> (460)
Azacitidine (Vidaza)

>  <Catalog Number> (460)
S1782

>  <Synonyms> (460)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (460)
DNA/RNA Synthesis

>  <Form> (460)
Free Base

>  <URL> (460)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

>  <CAS Number> (460)
320-67-2

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.2546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5190    5.6872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5190    7.0872    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1875    7.5199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3646    6.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    8.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.8672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    7.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    9.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  3 10  1  0  0  0  0
 11  9  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 14 16  1  6  0  0  0
 12 17  1  6  0  0  0
 13 18  1  1  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (461)
461

>  <Formula> (461)
C10H13N5O4

>  <MolWeight> (461)
267.24132

>  <Item Name> (461)
Vidarabine (Vira-A)

>  <Catalog Number> (461)
S1784

>  <Synonyms> (461)
Vira-A

>  <Target> (461)
5-alpha Reductase 

>  <Form> (461)
Free Base

>  <URL> (461)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

>  <CAS Number> (461)
5536-17-4

$$$$
VUMON (teniposide).cdx
csChFnd80/10101813032D

 47 54  0  0  0  0  0  0  0  0999 V2000
   10.6902    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6902    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9026    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9026    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4777    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   15.5357    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3233    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7439    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3233    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4373    3.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0068    2.6745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3326    1.7841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1554    9.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5860   10.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1937   10.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  9  1  0  0  0  0
 24 25  2  0  0  0  0
  9 26  1  6  0  0  0
  7 27  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 30 34  1  6  0  0  0
 28 27  1  6  0  0  0
 29 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 32 39  1  6  0  0  0
 37 40  1  1  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 40  1  0  0  0  0
  5 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47  6  1  0  0  0  0
 31 36  1  1  0  0  0
M  END
>  <Mol_ID> (462)
462

>  <Formula> (462)
C32H32O13S

>  <MolWeight> (462)
656.65368

>  <Item Name> (462)
Teniposide (Vumon)

>  <Catalog Number> (462)
S1787

>  <Synonyms> (462)
Vumon, VM-26, Vehem, NSC 122819 

>  <Target> (462)
Topoisomerase

>  <Form> (462)
Free Base

>  <URL> (462)
http://www.selleckchem.com/products/Teniposide(Vumon).html

>  <CAS Number> (462)
29767-20-2

$$$$
XIFAXAN (rifaximin).cdx
csChFnd80/10101813032D

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    4.8497    9.9259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8497    4.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.8259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209    6.4259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0126    5.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0  0  0  0
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 18 23  1  0  0  0  0
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 32 40  1  0  0  0  0
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 29 41  1  0  0  0  0
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 21 50  1  0  0  0  0
 50 51  2  0  0  0  0
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 52 22  1  0  0  0  0
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 56 52  1  0  0  0  0
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M  END
>  <Mol_ID> (463)
463

>  <Formula> (463)
C43H51N3O11

>  <MolWeight> (463)
785.87854

>  <Item Name> (463)
Rifaximin (Xifaxan)

>  <Catalog Number> (463)
S1790

>  <Synonyms> (463)
Rifacol, Fatroximin

>  <Target> (463)
DNA/RNA Synthesis

>  <Form> (463)
Free Base

>  <URL> (463)
http://www.selleckchem.com/products/Rifaximin(Xifaxan).html

>  <CAS Number> (463)
80621-81-4

$$$$
ZOCOR (simvastatin).cdx
csChFnd80/10101813032D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4122    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1165    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6784    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2536    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    9.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0453    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  6  0  0  0
  6 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
  9 20  1  1  0  0  0
 10 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 25 29  2  0  0  0  0
 27 30  1  1  0  0  0
 23 31  1  1  0  0  0
  5 32  1  1  0  0  0
M  END
>  <Mol_ID> (464)
464

>  <Formula> (464)
C25H38O5

>  <MolWeight> (464)
418.56622

>  <Item Name> (464)
Simvastatin (Zocor)

>  <Catalog Number> (464)
S1792

>  <Synonyms> (464)
Simlup, Simcard, Simvacor, Simvoget, Zorced 

>  <Target> (464)
HMG-CoA Reductase

>  <Form> (464)
Free Base

>  <URL> (464)
http://www.selleckchem.com/products/Simvastatin(Zocor).html

>  <CAS Number> (464)
79902-63-9

$$$$
ALTACE (ramipril).cdx
csChFnd80/10101813032D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.4122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6247    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    6.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4618    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    8.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8164    4.8980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1858    4.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8858    5.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9490    6.8597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1164    3.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0532    2.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3321    3.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2391    8.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2023    9.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5659    8.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 16 15  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 19  1  6  0  0  0
 22 27  1  6  0  0  0
 24 28  1  6  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (465)
465

>  <Formula> (465)
C23H32N2O5

>  <MolWeight> (465)
416.51058

>  <Item Name> (465)
Ramipril (Altace)

>  <Catalog Number> (465)
S1793

>  <Synonyms> (465)
Tritace

>  <Target> (465)
RAAS

>  <Form> (465)
Free Base

>  <URL> (465)
http://www.selleckchem.com/products/Ramipril(Altace).html

>  <CAS Number> (465)
87333-19-5

$$$$
FENOFIBRATE (MICRONIZED) (fenofibrate).cdx
csChFnd80/10101813032D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1909    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5909    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (466)
466

>  <Formula> (466)
C20H21ClO4

>  <MolWeight> (466)
360.83134

>  <Item Name> (466)
Fenofibrate (Tricor, Trilipix)

>  <Catalog Number> (466)
S1794

>  <Synonyms> (466)
Antara, Fenoglide, Fibricor, Lipofen, Lofibra, Triglide 

>  <Target> (466)
NULL

>  <Form> (466)
Free Base

>  <URL> (466)
http://www.selleckchem.com/products/Fenofibrate(Tricor).html

>  <CAS Number> (466)
49562-28-9

$$$$
RANEXA (ranolazine).cdx
csChFnd80/10101813032D

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (467)
467

>  <Formula> (467)
C24H33N3O4

>  <MolWeight> (467)
427.53652

>  <Item Name> (467)
Ranolazine (Ranexa)

>  <Catalog Number> (467)
S1799

>  <Synonyms> (467)
Ranexa

>  <Target> (467)
Calcium Channel

>  <Form> (467)
Free Base

>  <URL> (467)
http://www.selleckchem.com/products/Ranolazine(Ranexa).html

>  <CAS Number> (467)
95635-55-5

$$$$
RANITIDINE (ranitidine).cdx
csChFnd80/10101813032D

 22 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9912    2.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3893    2.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8910    3.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8030    4.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1035    4.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3117    3.5905    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5199    4.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9364    4.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1446    3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1446    2.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3570    1.4905    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.3570    0.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5695    2.1905    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.5695    3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3570    4.2905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1201    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (468)
468

>  <Formula> (468)
C13H23ClN4O3S

>  <MolWeight> (468)
350.86472

>  <Item Name> (468)
Ranitidine Hydrochloride

>  <Catalog Number> (468)
S1801

>  <Synonyms> (468)
AH19065

>  <Target> (468)
Histamine Receptor antagonist

>  <Form> (468)
Hydrochloride

>  <URL> (468)
http://www.selleckchem.com/products/Ranitidine-hydrochloride(Zantac).html

>  <CAS Number> (468)
66357-59-3

$$$$
Acipimox.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (469)
469

>  <Formula> (469)
C6H6N2O3

>  <MolWeight> (469)
154.12344

>  <Item Name> (469)
Acipimox 

>  <Catalog Number> (469)
S1806

>  <Synonyms> (469)
K-9321, Olbemox, Olbetam

>  <Target> (469)
Others

>  <Form> (469)
Free Base

>  <URL> (469)
http://www.selleckchem.com/products/Acipimox.html

>  <CAS Number> (469)
51037-30-0

$$$$
Acyclovir.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.5188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2611    3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5611    5.2023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917    4.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7569    1.6179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0631    2.3673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6305    3.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5640    4.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5575    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (470)
470

>  <Formula> (470)
C8H11N5O3

>  <MolWeight> (470)
225.20464

>  <Item Name> (470)
Acyclovir (Aciclovir)

>  <Catalog Number> (470)
S1807

>  <Synonyms> (470)
Aciclovir, Acycloguanosine, Zovirax 

>  <Target> (470)
Antifection

>  <Form> (470)
Free Base

>  <URL> (470)
http://www.selleckchem.com/products/Acyclovir(Aciclovir).html

>  <CAS Number> (470)
59277-89-3 

$$$$
ADALAT (nifedipine).cdx
csChFnd80/10101813032D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4019    5.2575    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.3884    4.2710    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.7629    6.6051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (471)
471

>  <Formula> (471)
C17H18N2O6

>  <MolWeight> (471)
346.33462

>  <Item Name> (471)
Nifedipine (Adalat)

>  <Catalog Number> (471)
S1808

>  <Synonyms> (471)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (471)
Calcium Channel

>  <Form> (471)
Free Base

>  <URL> (471)
http://www.selleckchem.com/products/Nifedipine(Adalat).html

>  <CAS Number> (471)
21829-25-4

$$$$
Amiloride hydrochloride.cdx
csChFnd80/10101813032D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1376    5.3651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (472)
472

>  <Formula> (472)
C6H9Cl2N7O

>  <MolWeight> (472)
266.08796

>  <Item Name> (472)
Amiloride HCl

>  <Catalog Number> (472)
S1811

>  <Synonyms> (472)
N/A

>  <Target> (472)
Sodium Channel,Calcium Channel

>  <Form> (472)
Hydrochloride

>  <URL> (472)
http://www.selleckchem.com/products/Amiloride-hydrochloride(Midamor).html

>  <CAS Number> (472)
2016-88-8

$$$$
Baricitinib.cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.7433    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    1.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    2.3899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    2.1709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7551    3.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7450    4.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924    3.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0880    8.5566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    8.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    6.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    5.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6424    8.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  3  0  0  0  0
  3  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
 19 21  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  3  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (473)
473

>  <Formula> (473)
C16H17N7O2S

>  <MolWeight> (473)
371.41688

>  <Item Name> (473)
Baricitinib (LY3009104)

>  <Catalog Number> (473)
S2851

>  <Synonyms> (473)
INCB 28050

>  <Target> (473)
JAK

>  <Form> (473)
Free Base

>  <URL> (473)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

>  <CAS Number> (473)
1187594-09-7

$$$$
CTEP.cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
   13.2656    4.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9656    3.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3657    3.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0657    4.2385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3657    5.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9656    5.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0632    6.6591    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.8705    4.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4754    4.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2573    5.3711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  3  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
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 18 19  1  0  0  0  0
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 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (474)
474

>  <Formula> (474)
C19H13ClF3N3O

>  <MolWeight> (474)
391.7742296

>  <Item Name> (474)
CTEP (RO4956371)

>  <Catalog Number> (474)
S2861

>  <Synonyms> (474)
N/A

>  <Target> (474)
GluR

>  <Form> (474)
Free Base

>  <URL> (474)
http://www.selleckchem.com/products/ctep.html

>  <CAS Number> (474)
871362-31-1

$$$$
Amlodipine besylate.cdx
csChFnd80/10101813032D

 38 39  0  0  0  0  0  0  0  0999 V2000
    6.0411    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 35 38  2  0  0  0  0
M  END
>  <Mol_ID> (475)
475

>  <Formula> (475)
C26H31ClN2O8S

>  <MolWeight> (475)
567.05094

>  <Item Name> (475)
Amlodipine besylate (Norvasc)

>  <Catalog Number> (475)
S1813

>  <Synonyms> (475)
N/A

>  <Target> (475)
Calcium Channel

>  <Form> (475)
Besylate

>  <URL> (475)
selleckchem.com/products/Amlodipine-besylate(Norvasc).html

>  <CAS Number> (475)
111470-99-6

$$$$
CAPITROL (chloroxine).cdx
csChFnd80/10101813032D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (476)
476

>  <Formula> (476)
C9H5Cl2NO

>  <MolWeight> (476)
214.0481

>  <Item Name> (476)
Chloroxine

>  <Catalog Number> (476)
S1839

>  <Synonyms> (476)
Capitrol

>  <Target> (476)
Antifection

>  <Form> (476)
Free Base

>  <URL> (476)
http://www.selleckchem.com/products/Chloroxine.html

>  <CAS Number> (476)
773-76-2

$$$$
CEENU (lomustine).cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2873    4.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (477)
477

>  <Formula> (477)
C9H16ClN3O2

>  <MolWeight> (477)
233.69524

>  <Item Name> (477)
Lomustine (CeeNU)

>  <Catalog Number> (477)
S1840

>  <Synonyms> (477)
CCNU 

>  <Target> (477)
DNA/RNA Synthesis

>  <Form> (477)
Free Base

>  <URL> (477)
http://www.selleckchem.com/products/Lomustine(CeeNU).html

>  <CAS Number> (477)
13010-47-4

$$$$
CHENIX (chenodiol).cdx
csChFnd80/10101813032D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.6019    6.7326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.3937    7.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
  2 18  1  6  0  0  0
  8 19  1  6  0  0  0
  5 20  1  1  0  0  0
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 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 17 24  1  6  0  0  0
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 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (478)
478

>  <Formula> (478)
C24H40O4

>  <MolWeight> (478)
392.572

>  <Item Name> (478)
Chenodeoxycholic acid

>  <Catalog Number> (478)
S1843

>  <Synonyms> (478)
Chenodiol, Chenodesoxycholic acid, Chenocholic acid 

>  <Target> (478)
NULL

>  <Form> (478)
Free Base

>  <URL> (478)
http://www.selleckchem.com/products/Chenodeoxycholic-acid.html

>  <CAS Number> (478)
474-25-9 

$$$$
cimetidine.cdx
csChFnd80/10101813032D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.8200    2.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2200    2.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527    3.8909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5200    4.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3874    3.8909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0401    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4401    1.4307    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4300    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8300    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5300    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9300    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6276    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0276    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0276    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4276    2.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  3  0  0  0  0
M  END
>  <Mol_ID> (479)
479

>  <Formula> (479)
C10H16N6S

>  <MolWeight> (479)
252.33924

>  <Item Name> (479)
Cimetidine (Tagamet)

>  <Catalog Number> (479)
S1845

>  <Synonyms> (479)
Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil 

>  <Target> (479)
NULL

>  <Form> (479)
Free Base

>  <URL> (479)
http://www.selleckchem.com/products/Cimetidine(Tagamet).html

>  <CAS Number> (479)
51481-61-9

$$$$
clemastine fumarate.cdx
csChFnd80/10101813032D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.2569    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8404    4.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4240    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9368    4.2067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    1.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0386    2.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (480)
480

>  <Formula> (480)
C25H30ClNO5

>  <MolWeight> (480)
459.9624

>  <Item Name> (480)
Clemastine Fumarate

>  <Catalog Number> (480)
S1847

>  <Synonyms> (480)
Tavist, Agasten 

>  <Target> (480)
Histamine Receptor

>  <Form> (480)
Fumarate

>  <URL> (480)
http://www.selleckchem.com/products/Clemastine-Fumarate.html

>  <CAS Number> (480)
14976-57-9

$$$$
Daidzein.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (481)
481

>  <Formula> (481)
C15H10O4

>  <MolWeight> (481)
254.2375

>  <Item Name> (481)
Daidzein

>  <Catalog Number> (481)
S1849

>  <Synonyms> (481)
N/A

>  <Target> (481)
Others

>  <Form> (481)
Free Base

>  <URL> (481)
http://www.selleckchem.com/products/Daidzein.html

>  <CAS Number> (481)
486-66-8 

$$$$
Methylthiouracil.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (482)
482

>  <Formula> (482)
C5H6N2OS

>  <MolWeight> (482)
142.17894

>  <Item Name> (482)
Methylthiouracil

>  <Catalog Number> (482)
S3138

>  <Synonyms> (482)
N/A

>  <Target> (482)
Others

>  <Form> (482)
Free Base

>  <URL> (482)
http://www.selleckchem.com/products/methylthiouracil.html

>  <CAS Number> (482)
56-04-2

$$$$
LANIAZID (isoniazid).cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (483)
483

>  <Formula> (483)
C6H7N3O

>  <MolWeight> (483)
137.13928

>  <Item Name> (483)
Isoniazid (Tubizid)

>  <Catalog Number> (483)
S1937

>  <Synonyms> (483)
Tubizid, Laniazid, Nydrazid, Isonicotinylhydrazine

>  <Target> (483)
Angiogenesis

>  <Form> (483)
Free Base

>  <URL> (483)
http://www.selleckchem.com/products/Isoniazid(Tubizid).html

>  <CAS Number> (483)
54-85-3

$$$$
LEVOFLOXACIN (levofloxacin).cdx
csChFnd80/10101813032D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (484)
484

>  <Formula> (484)
C18H20FN3O4

>  <MolWeight> (484)
361.3675032

>  <Item Name> (484)
Levofloxacin (Levaquin)

>  <Catalog Number> (484)
S1940

>  <Synonyms> (484)
Fluoroquinolone

>  <Target> (484)
Topoisomerase

>  <Form> (484)
Free Base

>  <URL> (484)
http://www.selleckchem.com/products/Levofloxacin(Levaquin).html

>  <CAS Number> (484)
100986-85-4

$$$$
LEXXEL (enalapril maleate).cdx
csChFnd80/10101813032D

 35 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (485)
485

>  <Formula> (485)
C24H32N2O9

>  <MolWeight> (485)
492.51888

>  <Item Name> (485)
Enalapril maleate (Vasotec)

>  <Catalog Number> (485)
S1941

>  <Synonyms> (485)
Glioten, Renitec 

>  <Target> (485)
Opioid Receptor

>  <Form> (485)
Maleate

>  <URL> (485)
http://www.selleckchem.com/products/Enalapril-maleate(Vasotec).html

>  <CAS Number> (485)
76095-16-4

$$$$
MENADIONE (menadione).cdx
csChFnd80/10101813032D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (486)
486

>  <Formula> (486)
C11H8O2

>  <MolWeight> (486)
172.18002

>  <Item Name> (486)
Menadione

>  <Catalog Number> (486)
S1949

>  <Synonyms> (486)
Vitamin K3

>  <Target> (486)
DNA/RNA Synthesis,phosphatase

>  <Form> (486)
Free Base

>  <URL> (486)
http://www.selleckchem.com/products/Menadione.html

>  <CAS Number> (486)
58-27-5

$$$$
Metformin hydrochloride.cdx
csChFnd80/10101813032D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (487)
487

>  <Formula> (487)
C4H12ClN5

>  <MolWeight> (487)
165.62458

>  <Item Name> (487)
Metformin hydrochloride (Glucophage)

>  <Catalog Number> (487)
S1950

>  <Synonyms> (487)
Glucophage, Riomet, Diabex

>  <Target> (487)
Others

>  <Form> (487)
Hydrochloride

>  <URL> (487)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

>  <CAS Number> (487)
1115-70-4

$$$$
Methoxsalen.cdx
csChFnd80/10101813032D

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    2.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    4.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
  2 14  2  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (488)
488

>  <Formula> (488)
C12H8O4

>  <MolWeight> (488)
216.18952

>  <Item Name> (488)
Methoxsalen (Oxsoralen)

>  <Catalog Number> (488)
S1952

>  <Synonyms> (488)
Xanthotoxin, Metoxaleno,  Dltasoralen, Meladinine, Uvadex

>  <Target> (488)
P450 (e.g. CYP17)

>  <Form> (488)
Free Base

>  <URL> (488)
http://www.selleckchem.com/products/Methoxsalen(Oxsoralen).html

>  <CAS Number> (488)
298-81-7

$$$$
Miconazole nitrate.cdx
csChFnd80/10101813032D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    4.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    5.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653    6.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959    6.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.1951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5248    1.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7373    2.3188    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.7373    3.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9455    1.6212    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 12 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 12  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (489)
489

>  <Formula> (489)
C18H15Cl4N3O4

>  <MolWeight> (489)
479.1414

>  <Item Name> (489)
Miconazole nitrate

>  <Catalog Number> (489)
S1956

>  <Synonyms> (489)
Fungisdin, Albistat, Andergin, Daktacort

>  <Target> (489)
Antifection

>  <Form> (489)
Nitrate 

>  <URL> (489)
http://www.selleckchem.com/products/Miconazole-nitrate.html

>  <CAS Number> (489)
22832-87-7

$$$$
MYSOLINE (primidone).cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    3.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.7349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  5 16  2  0  0  0  0
M  END
>  <Mol_ID> (490)
490

>  <Formula> (490)
C12H14N2O2

>  <MolWeight> (490)
218.25176

>  <Item Name> (490)
Primidone (Mysoline)

>  <Catalog Number> (490)
S1965

>  <Synonyms> (490)
Mysoline, Neurosyn, Mylepsin

>  <Target> (490)
Sodium Channel

>  <Form> (490)
Free Base

>  <URL> (490)
http://www.selleckchem.com/products/Primidone(Mysoline).html

>  <CAS Number> (490)
125-33-7

$$$$
Nefiracetam.cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4595    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844    3.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926    4.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719    5.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    3.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175    4.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175    5.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    6.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926    5.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    2.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  2  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
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  7 13  1  0  0  0  0
  2 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17  2  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (491)
491

>  <Formula> (491)
C14H18N2O2

>  <MolWeight> (491)
246.30492

>  <Item Name> (491)
Nefiracetam (Translon)

>  <Catalog Number> (491)
S1969

>  <Synonyms> (491)
DM 9384, Translon, DZL-221

>  <Target> (491)
GABA Receptor

>  <Form> (491)
Free Base

>  <URL> (491)
http://www.selleckchem.com/products/Nefiracetam(Translon).html

>  <CAS Number> (491)
77191-36-7

$$$$
Nicorandil.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.9035    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (492)
492

>  <Formula> (492)
C8H9N3O4

>  <MolWeight> (492)
211.17476

>  <Item Name> (492)
Nicorandil (Ikorel)

>  <Catalog Number> (492)
S1971

>  <Synonyms> (492)
SG-75

>  <Target> (492)
Potassium Channel

>  <Form> (492)
Free Base

>  <URL> (492)
http://www.selleckchem.com/products/Nicorandil(Ikorel).html

>  <CAS Number> (492)
65141-46-0

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/10101813032D

 41 42  0  0  0  0  0  0  0  0999 V2000
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   10.1031    9.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0930    8.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4453    8.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7307    7.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4353    7.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3737    6.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7278    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7278    2.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9402    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5154    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0905    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3029    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  2  0  0  0  0
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 29 30  2  0  0  0  0
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 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (493)
493

>  <Formula> (493)
C32H37NO8

>  <MolWeight> (493)
563.63808

>  <Item Name> (493)
Tamoxifen Citrate (Nolvadex)

>  <Catalog Number> (493)
S1972

>  <Synonyms> (493)
Istubal

>  <Target> (493)
Estrogen/progestogen Receptor

>  <Form> (493)
Citrate

>  <URL> (493)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

>  <CAS Number> (493)
54965-24-1

$$$$
PF 3716556.cdx
csChFnd80/10101813032D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.4038    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4038    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6163    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    6.2927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2536    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6163    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
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 13 14  2  0  0  0  0
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 25 28  1  0  0  0  0
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M  END
>  <Mol_ID> (494)
494

>  <Formula> (494)
C22H26N4O3

>  <MolWeight> (494)
394.46684

>  <Item Name> (494)
PF 3716556

>  <Catalog Number> (494)
S2222

>  <Synonyms> (494)
N/A 

>  <Target> (494)
ATPase, Proton Pump

>  <Form> (494)
Free Base

>  <URL> (494)
http://www.selleckchem.com/products/PF-3716556.html

>  <CAS Number> (494)
928774-43-0

$$$$
PAMINE (methscopolamine bromide).cdx
csChFnd80/10101813032D

 28 30  0  0  0  0  0  0  0  0999 V2000
    7.4333    7.3555    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    2.2928    4.7304    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    3.2287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2892    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4974    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0810    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1305    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
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  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
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 10  3  1  0  0  0  0
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  3 14  1  6  0  0  0
  2 15  1  1  0  0  0
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 28 21  1  0  0  0  0
M  END
>  <Mol_ID> (495)
495

>  <Formula> (495)
C18H24BrNO4

>  <MolWeight> (495)
398.29146

>  <Item Name> (495)
Methscopolamine (Pamine)

>  <Catalog Number> (495)
S1978

>  <Synonyms> (495)
N/A 

>  <Target> (495)
AChR

>  <Form> (495)
quaternary-N bromide salt

>  <URL> (495)
http://www.selleckchem.com/products/Methscopolamine-bromide(Pamine).html

>  <CAS Number> (495)
155-41-9

$$$$
PROPYLTHIOURACIL (propylthiouracil).cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    0.0024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
  4 11  2  0  0  0  0
M  END
>  <Mol_ID> (496)
496

>  <Formula> (496)
C7H10N2OS

>  <MolWeight> (496)
170.2321

>  <Item Name> (496)
Propylthiouracil

>  <Catalog Number> (496)
S1988

>  <Synonyms> (496)
6-n-Propylthiouracil

>  <Target> (496)
Others

>  <Form> (496)
Free Base

>  <URL> (496)
http://www.selleckchem.com/products/Propylthiouracil.html

>  <CAS Number> (496)
51-52-5

$$$$
untitled.cdx
csChFnd80/10101813032D

 31 33  0  0  0  0  0  0  0  0999 V2000
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   10.9246    7.7104    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    6.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Integrase 

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Free Base

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http://www.selleckchem.com/products/Elvitegravir.html

>  <CAS Number> (497)
697761-98-1

$$$$
untitled.cdx
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S2003

>  <Synonyms> (498)
UK-427857, Celsentri 

>  <Target> (498)
CCR5 

>  <Form> (498)
Free Base

>  <URL> (498)
http://www.selleckchem.com/products/Maraviroc.html

>  <CAS Number> (498)
376348-65-1

$$$$
Raltegravir.cdx
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>  <Mol_ID> (499)
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>  <Formula> (499)
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>  <MolWeight> (499)
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>  <Item Name> (499)
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>  <Catalog Number> (499)
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>  <Synonyms> (499)
Isentress 

>  <Target> (499)
Integrase

>  <Form> (499)
Free Base

>  <URL> (499)
http://www.selleckchem.com/products/Raltegravir-(MK-0518).html

>  <CAS Number> (499)
518048-05-0

$$$$
pyrimethamine.cdx
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>  <Item Name> (500)
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>  <Target> (500)
NULL

>  <Form> (500)
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>  <URL> (500)
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>  <CAS Number> (500)
58-14-0

$$$$
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 15 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (501)
501

>  <Formula> (501)
C20H17FO3S

>  <MolWeight> (501)
356.4105832

>  <Item Name> (501)
Sulindac (Clinoril)

>  <Catalog Number> (501)
S2007

>  <Synonyms> (501)
Clinoril, Aflodac, Sulreuma

>  <Target> (501)
NULL

>  <Form> (501)
Free Base

>  <URL> (501)
http://www.selleckchem.com/products/Sulindac(Clinoril).html

>  <CAS Number> (501)
38194-50-2

$$$$
Sclareolide.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.5495    2.7875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5495    1.3875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7620    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.7875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7620    3.4875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1868    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1868    4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    3.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    0.9549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5868    3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5492    2.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4037    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0620    4.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9643    1.7975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8495    3.9999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
  1 11  1  0  0  0  0
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 12 13  1  0  0  0  0
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  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  6  0  0  0
  5 19  1  1  0  0  0
  1 20  1  1  0  0  0
M  END
>  <Mol_ID> (502)
502

>  <Formula> (502)
C16H26O2

>  <MolWeight> (502)
250.37644

>  <Item Name> (502)
Sclareolide (Norambreinolide)

>  <Catalog Number> (502)
S2355

>  <Synonyms> (502)
Norambreinolide

>  <Target> (502)
Others

>  <Form> (502)
Free Base

>  <URL> (502)
http://www.selleckchem.com/products/Sclareolide(Norambreinolide).html

>  <CAS Number> (502)
564-20-5

$$$$
Shikimic acid.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  1  0  0  0
M  END
>  <Mol_ID> (503)
503

>  <Formula> (503)
C7H10O5

>  <MolWeight> (503)
174.1513

>  <Item Name> (503)
Shikimic acid (Shikimate)

>  <Catalog Number> (503)
S2356

>  <Synonyms> (503)
Shikimate, Bracken fern toxic component, L-Shikimic acid 

>  <Target> (503)
Others

>  <Form> (503)
Free Base

>  <URL> (503)
http://www.selleckchem.com/products/Shikimic-acid(Shikimate).html

>  <CAS Number> (503)
138-59-0 

$$$$
Silibinin.cdx
csChFnd80/10101813032D

 35 39  0  0  0  0  0  0  0  0999 V2000
    6.0538    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1159    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3284    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13  8  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  2  0  0  0  0
  2 22  1  6  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 23  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 26 30  1  0  0  0  0
  1 31  1  1  0  0  0
 31 32  1  0  0  0  0
 14 33  2  0  0  0  0
 18 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
>  <Mol_ID> (504)
504

>  <Formula> (504)
C25H22O10

>  <MolWeight> (504)
482.43618

>  <Item Name> (504)
Silibinin (Silybin)

>  <Catalog Number> (504)
S2357

>  <Synonyms> (504)
Silybin

>  <Target> (504)
Others

>  <Form> (504)
Free Base

>  <URL> (504)
http://www.selleckchem.com/products/Silibinin(Silybin).html

>  <CAS Number> (504)
22888-70-6

$$$$
Silymarin.cdx
csChFnd80/10101813032D

 35 39  0  0  0  0  0  0  0  0999 V2000
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4976    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5927    2.4207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2927    1.2082    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6927    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7927    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3927    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8927    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5927    2.4207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8927    3.6331    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.9927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9927    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5927    4.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7927    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0927    6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6927    6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6903    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7903    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7903    7.2662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  3  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
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 21 22  2  0  0  0  0
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 23 19  1  0  0  0  0
 21 24  1  0  0  0  0
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 27 22  1  0  0  0  0
  6 28  1  0  0  0  0
  1 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7  8  1  0  0  0  0
  8 31  1  0  0  0  0
 31 32  1  0  0  0  0
 20 33  2  0  0  0  0
 24 34  1  0  0  0  0
 26 35  1  0  0  0  0
M  END
>  <Mol_ID> (505)
505

>  <Formula> (505)
C25H22O10

>  <MolWeight> (505)
482.43618

>  <Item Name> (505)
Silymarin (Silybin B)

>  <Catalog Number> (505)
S2358

>  <Synonyms> (505)
Silybin B, Silibinin B

>  <Target> (505)
NULL

>  <Form> (505)
Free Base

>  <URL> (505)
http://www.selleckchem.com/products/Silymarin(Silybin-B).html

>  <CAS Number> (505)
65666-07-1

$$$$
Sinomenine.cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.4207    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    3.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    4.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 12 19  2  0  0  0  0
 18 20  1  0  0  0  0
  9 21  1  6  0  0  0
  7 22  1  6  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
  8 25  1  6  0  0  0
M  END
>  <Mol_ID> (506)
506

>  <Formula> (506)
C19H23NO4

>  <MolWeight> (506)
329.39022

>  <Item Name> (506)
Sinomenine (Cucoline)

>  <Catalog Number> (506)
S2359

>  <Synonyms> (506)
Cucoline, Kukoline, Coculine, Sabianine A 

>  <Target> (506)
Others

>  <Form> (506)
Free Base

>  <URL> (506)
http://www.selleckchem.com/products/Sinomenine(Cucoline).html

>  <CAS Number> (506)
115-53-7

$$$$
Synephrine.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (507)
507

>  <Formula> (507)
C9H13NO2

>  <MolWeight> (507)
167.20502

>  <Item Name> (507)
Synephrine (Oxedrine)

>  <Catalog Number> (507)
S2362

>  <Synonyms> (507)
Oxedrine, p-Synephrine, Sympatol, Parasympatol, Sympaethamine 

>  <Target> (507)
Androgen Receptor

>  <Form> (507)
Free Base

>  <URL> (507)
http://www.selleckchem.com/products/Synephrine(Oxedrine).html

>  <CAS Number> (507)
94-07-5

$$$$
Tangeretin.cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.5605    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6185    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2516    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4640    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7730    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5605    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
  1 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 21  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  2 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (508)
508

>  <Formula> (508)
C20H20O7

>  <MolWeight> (508)
372.3686

>  <Item Name> (508)
Tangeretin (Tangeritin)

>  <Catalog Number> (508)
S2363

>  <Synonyms> (508)
Tangeritin, Ponkanetin, Pentamethoxyflavone 

>  <Target> (508)
ROS

>  <Form> (508)
Free Base

>  <URL> (508)
http://www.selleckchem.com/products/Tangeretin(Tangeritin).html

>  <CAS Number> (508)
481-53-8

$$$$
Tanshinone I.cdx
csChFnd80/10101813032D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.9278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    0.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
  6 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (509)
509

>  <Formula> (509)
C18H12O3

>  <MolWeight> (509)
276.28608

>  <Item Name> (509)
Tanshinone I

>  <Catalog Number> (509)
S2364

>  <Synonyms> (509)
N/A

>  <Target> (509)
Others

>  <Form> (509)
Free Base

>  <URL> (509)
http://www.selleckchem.com/products/Tanshinone-I.html

>  <CAS Number> (509)
568-73-0

$$$$
Tanshinone IIA.cdx
csChFnd80/10101813032D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.5798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    5.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    7.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (510)
510

>  <Formula> (510)
C19H18O3

>  <MolWeight> (510)
294.34442

>  <Item Name> (510)
Tanshinone IIA (Tanshinone B)

>  <Catalog Number> (510)
S2365

>  <Synonyms> (510)
Tanshinone B, Tanshinone II

>  <Target> (510)
Lipase

>  <Form> (510)
Free Base

>  <URL> (510)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

>  <CAS Number> (510)
568-72-9

$$$$
Tetrahydropapaverine hydrochloride.cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3992    1.1618    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (511)
511

>  <Formula> (511)
C20H26ClNO4

>  <MolWeight> (511)
379.87774

>  <Item Name> (511)
Tetrahydropapaverine hydrochloride

>  <Catalog Number> (511)
S2367

>  <Synonyms> (511)
N/A

>  <Target> (511)
Hydroxylase

>  <Form> (511)
Hydrochloride

>  <URL> (511)
http://www.selleckchem.com/products/Tetrahydropapaverine-hydrochloride.html

>  <CAS Number> (511)
6429-04-5 

$$$$
Troxerutin.cdx
csChFnd80/10101813032D

 52 56  0  0  0  0  0  0  0  0999 V2000
    4.8371    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1739    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9615    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    9.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.3200    9.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    6.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13  9  1  0  0  0  0
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 14 15  2  0  0  0  0
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 26 13  1  6  0  0  0
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 28 10  2  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
  6 33  1  0  0  0  0
  2 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 38  1  6  0  0  0
 38 39  1  0  0  0  0
 40 39  1  6  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 40  1  0  0  0  0
 30 46  1  6  0  0  0
 44 47  1  1  0  0  0
 42 48  1  1  0  0  0
 43 49  1  6  0  0  0
 41 50  1  1  0  0  0
 31 51  1  1  0  0  0
 29 52  1  1  0  0  0
M  END
>  <Mol_ID> (512)
512

>  <Formula> (512)
C33H42O19

>  <MolWeight> (512)
742.67518

>  <Item Name> (512)
Troxerutin

>  <Catalog Number> (512)
S2369

>  <Synonyms> (512)
Trihydroxyethylrutin, Troxerutin

>  <Target> (512)
Thrombin

>  <Form> (512)
Free Base

>  <URL> (512)
http://www.selleckchem.com/products/Troxerutin.html

>  <CAS Number> (512)
7085-55-4

$$$$
Ursolic acid.cdx
csChFnd80/10101813032D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.0124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0580    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
 19 25  1  1  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 22 28  1  1  0  0  0
 18 29  1  1  0  0  0
  9 30  1  1  0  0  0
  5 31  1  1  0  0  0
  2 32  1  1  0  0  0
  4 33  1  6  0  0  0
 10 34  1  6  0  0  0
 11 35  1  6  0  0  0
 21 36  1  6  0  0  0
M  END
>  <Mol_ID> (513)
513

>  <Formula> (513)
C30H48O3

>  <MolWeight> (513)
456.70032

>  <Item Name> (513)
Ursolic acid (Malol)

>  <Catalog Number> (513)
S2370

>  <Synonyms> (513)
Malol, Prunol, Urson

>  <Target> (513)
Others

>  <Form> (513)
Free Base

>  <URL> (513)
http://www.selleckchem.com/products/Ursolic-acid(Malol).html

>  <CAS Number> (513)
77-52-1

$$$$
Vanillylacetone.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (514)
514

>  <Formula> (514)
C11H14O3

>  <MolWeight> (514)
194.22706

>  <Item Name> (514)
Vanillylacetone

>  <Catalog Number> (514)
S2371

>  <Synonyms> (514)
N/A

>  <Target> (514)
Others

>  <Form> (514)
Free Base

>  <URL> (514)
http://www.selleckchem.com/products/Vanillylacetone.html

>  <CAS Number> (514)
122-48-5

$$$$
Xanthone.cdx
csChFnd80/10101813032D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (515)
515

>  <Formula> (515)
C13H8O2

>  <MolWeight> (515)
196.20142

>  <Item Name> (515)
Xanthone (Genicide)

>  <Catalog Number> (515)
S2372

>  <Synonyms> (515)
Genicide, Benzophenone oxide, Diphenylene ketone oxide 

>  <Target> (515)
Others

>  <Form> (515)
Free Base

>  <URL> (515)
http://www.selleckchem.com/products/Xanthone(Genicide).html

>  <CAS Number> (515)
90-47-1 

$$$$
Yohimbine hydrochloride.cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.4388    4.7859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    6.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    6.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    7.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    7.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    5.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9408    5.3177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8776    6.3581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3735    3.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5449    2.0726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4817    3.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0491    4.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6132    5.7723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2420    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8773    1.6169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6731    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8874    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1632    1.4463    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 13  3  1  0  0  0  0
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 26 28  2  0  0  0  0
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M  END
>  <Mol_ID> (516)
516

>  <Formula> (516)
C21H27ClN2O3

>  <MolWeight> (516)
390.90368

>  <Item Name> (516)
Yohimbine hydrochloride (Antagonil)

>  <Catalog Number> (516)
S2373

>  <Synonyms> (516)
Antagonil, Yohimbe, Aphrodine hydrochloride, Yohimbine monohydrochloride 

>  <Target> (516)
NULL

>  <Form> (516)
Hydrochloride

>  <URL> (516)
http://www.selleckchem.com/products/Yohimbine-hydrochloride(Antagonil).html

>  <CAS Number> (516)
65-19-0 

$$$$
5-HTP.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  1 10  1  0  0  0  0
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 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (517)
517

>  <Formula> (517)
C11H12N2O3

>  <MolWeight> (517)
220.22458

>  <Item Name> (517)
5-hydroxytryptophan (5-HTP)

>  <Catalog Number> (517)
S2374

>  <Synonyms> (517)
N/A 

>  <Target> (517)
Others

>  <Form> (517)
Free Base

>  <URL> (517)
http://www.selleckchem.com/products/5-hydroxytryptophan(5-HTP).html

>  <CAS Number> (517)
56-69-9

$$$$
Aloin.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.6903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 12  1  0  0  0  0
  6 21  1  1  0  0  0
  4 22  1  1  0  0  0
  3 23  1  1  0  0  0
  7 24  1  1  0  0  0
  5 25  1  6  0  0  0
  1 26  1  6  0  0  0
 26 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 19 30  1  0  0  0  0
 30 31  1  0  0  0  0
 10 32  2  0  0  0  0
M  END
>  <Mol_ID> (518)
518

>  <Formula> (518)
C21H22O9

>  <MolWeight> (518)
418.39398

>  <Item Name> (518)
Aloin (Barbaloin)

>  <Catalog Number> (518)
S2375 

>  <Synonyms> (518)
Barbaloin

>  <Target> (518)
Tyrosinase

>  <Form> (518)
Free Base

>  <URL> (518)
http://www.selleckchem.com/products/Aloin(Barbaloin).html

>  <CAS Number> (518)
1415-73-2 

$$$$
Ammonium Glycyrrhizinate.cdx
csChFnd80/10101813032D

 64 69  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6953    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6953    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1201    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    7.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.6953    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 47  1  6  0  0  0
 41 48  1  0  0  0  0
 41 49  2  0  0  0  0
 29 50  1  6  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 51  1  0  0  0  0
 55 57  1  6  0  0  0
 53 58  1  6  0  0  0
 54 59  1  1  0  0  0
 52 60  1  1  0  0  0
 57 61  2  0  0  0  0
 57 62  1  0  0  0  0
 51 63  1  1  0  0  0
M  END
>  <Mol_ID> (519)
519

>  <Formula> (519)
C42H65NO16

>  <MolWeight> (519)
839.9626

>  <Item Name> (519)
Ammonium Glycyrrhizinate (AMGZ)

>  <Catalog Number> (519)
S2376

>  <Synonyms> (519)
AMGZ

>  <Target> (519)
Dehydrogenase

>  <Form> (519)
Glycyrrhizic acid salt

>  <URL> (519)
http://www.selleckchem.com/products/Ammonium-Glycyrrhizinate(AMGZ).html

>  <CAS Number> (519)
1407-03-0

$$$$
Biochanin A.cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (520)
520

>  <Formula> (520)
C16H12O5

>  <MolWeight> (520)
284.26348

>  <Item Name> (520)
Biochanin A (4-Methylgenistein)

>  <Catalog Number> (520)
S2377

>  <Synonyms> (520)
4-Methylgenistein

>  <Target> (520)
FAAH

>  <Form> (520)
Free Base

>  <URL> (520)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

>  <CAS Number> (520)
491-80-5

$$$$
Butylscopolamine bromide.cdx
csChFnd80/10101813032D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.5396    6.5698    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    8.4722    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6846    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8970    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8970    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6846    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0999    5.4760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7970    4.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3953    6.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6783    6.7887    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0999    8.2398    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    3.9638    6.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    4.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6783    7.7616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550    7.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3908    3.6295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    4.0809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4679    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8874    8.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2498   10.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2632   11.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243   12.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549    9.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
 19  8  1  6  0  0  0
 14 20  1  6  0  0  0
 13 21  1  6  0  0  0
 12 22  1  6  0  0  0
 11 23  1  1  0  0  0
 10 24  1  1  0  0  0
  9 25  2  0  0  0  0
 24 26  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
>  <Mol_ID> (521)
521

>  <Formula> (521)
C21H30BrNO4

>  <MolWeight> (521)
440.3712

>  <Item Name> (521)
Butylscopolamine bromide (Scopolamine butylb

>  <Catalog Number> (521)
S2378

>  <Synonyms> (521)
Scopolamine butylbromide, Butylhyoscine

>  <Target> (521)
Others

>  <Form> (521)
Bromide

>  <URL> (521)
http://www.selleckchem.com/products/Butylscopolamine-bromide(Scopolamine-butylbromide).html

>  <CAS Number> (521)
149-64-4

$$$$
Dioscin.cdx
csChFnd80/10101813032D

 69 77  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.9097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    7.5097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    6.8097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    7.5097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.9097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    9.6097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    6.8097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.5097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    8.9097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    9.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.8097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    7.5097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4828    8.9097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.6097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6953    6.8097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    6.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    7.5097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3326    7.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    8.9097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9077    8.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5450    9.6097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   16.9699   11.0097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7575   11.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7575   10.3049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326   10.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5450    8.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6931   13.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9390   12.7947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
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 10  5  1  0  0  0  0
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 51 52  1  0  0  0  0
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 56 51  1  0  0  0  0
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 51 60  1  1  0  0  0
  2 61  1  6  0  0  0
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 31 68  1  6  0  0  0
 45 69  1  0  0  0  0
M  END
>  <Mol_ID> (522)
522

>  <Formula> (522)
C45H72O16

>  <MolWeight> (522)
869.04358

>  <Item Name> (522)
Dioscin (Collettiside III)

>  <Catalog Number> (522)
S2379

>  <Synonyms> (522)
Collettiside III, CCRIS 4123 

>  <Target> (522)
Others

>  <Form> (522)
Free Base

>  <URL> (522)
http://www.selleckchem.com/products/Dioscin(Collettiside-III).html

>  <CAS Number> (522)
19057-60-4 

$$$$
Diosmetin.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (523)
523

>  <Formula> (523)
C16H12O6

>  <MolWeight> (523)
300.26288

>  <Item Name> (523)
Diosmetin (Luteolin 4-methyl ether)

>  <Catalog Number> (523)
S2380

>  <Synonyms> (523)
Luteolin 4-methyl ether

>  <Target> (523)
P450 (e.g. CYP17)

>  <Form> (523)
Free Base

>  <URL> (523)
http://www.selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

>  <CAS Number> (523)
520-34-3

$$$$
D-Mannitol.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4 11  1  1  0  0  0
  5 12  1  1  0  0  0
M  END
>  <Mol_ID> (524)
524

>  <Formula> (524)
C6H14O6

>  <MolWeight> (524)
182.17176

>  <Item Name> (524)
D-Mannitol (Osmitrol)

>  <Catalog Number> (524)
S2381 

>  <Synonyms> (524)
Mannitol, Osmitrol, Osmofundin

>  <Target> (524)
Others

>  <Form> (524)
Free Base

>  <URL> (524)
http://www.selleckchem.com/products/D-Mannitol(Osmitrol).html

>  <CAS Number> (524)
69-65-8 

$$$$
Gastrodin.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  1  1  0  0  0
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  3 19  1  6  0  0  0
  8 20  1  0  0  0  0
M  END
>  <Mol_ID> (525)
525

>  <Formula> (525)
C13H18O7

>  <MolWeight> (525)
286.27782

>  <Item Name> (525)
Gastrodin (Gastrodine)

>  <Catalog Number> (525)
S2383

>  <Synonyms> (525)
Gastrodine

>  <Target> (525)
Others

>  <Form> (525)
Free Base

>  <URL> (525)
http://www.selleckchem.com/products/Gastrodin(Gastrodine).html

>  <CAS Number> (525)
62499-27-8 

$$$$
Hematoxylin.cdx
csChFnd80/10101813032D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.5036    4.5325    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5036    3.1325    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7161    2.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7161    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9285    0.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1409    1.0325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1409    2.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1722    4.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3493    3.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1722    2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3875    2.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  1  6  0  0  0
  2 23  1  6  0  0  0
M  END
>  <Mol_ID> (526)
526

>  <Formula> (526)
C16H14O6

>  <MolWeight> (526)
302.27876

>  <Item Name> (526)
Hematoxylin (Hydroxybrazilin)

>  <Catalog Number> (526)
S2384

>  <Synonyms> (526)
Hydroxybrazilin, Natural Black 1

>  <Target> (526)
Others

>  <Form> (526)
Free Base

>  <URL> (526)
http://www.selleckchem.com/products/Hematoxylin(Hydroxybrazilin).html

>  <CAS Number> (526)
517-28-2

$$$$
Hordenine.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2 11  1  0  0  0  0
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M  END
>  <Mol_ID> (527)
527

>  <Formula> (527)
C10H15NO

>  <MolWeight> (527)
165.2322

>  <Item Name> (527)
Hordenine

>  <Catalog Number> (527)
S2385

>  <Synonyms> (527)
N,N-dimethyl-4-hydroxyphenylethylamine 

>  <Target> (527)
Antifection

>  <Form> (527)
Free Base

>  <URL> (527)
http://www.selleckchem.com/products/Hordenine.html

>  <CAS Number> (527)
539-15-1 

$$$$
Indirubin.cdx
csChFnd80/10101813032D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 19 14  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (528)
528

>  <Formula> (528)
C16H10N2O2

>  <MolWeight> (528)
262.2628

>  <Item Name> (528)
Indirubin

>  <Catalog Number> (528)
S2386

>  <Synonyms> (528)
N/A

>  <Target> (528)
GSK-3

>  <Form> (528)
Free Base

>  <URL> (528)
http://www.selleckchem.com/products/Indirubin.html

>  <CAS Number> (528)
479-41-4 

$$$$
Lappaconite Hydrobromide.cdx
csChFnd80/10101813032D

 46 51  0  0  0  0  0  0  0  0999 V2000
    2.2778    9.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2778    7.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4903    7.2620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7027    7.9620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7027    9.3620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4903   10.0620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1276    7.9620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1276    9.3620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9152   10.0620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3132    7.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7132    7.0578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7027   10.7620    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9069    8.7349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069    6.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4903    4.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1878    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4878    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1878    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    2.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3400   10.0620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3400   11.4620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9152   11.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7090   11.4328    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7090    7.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5525    9.3620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3486   12.8571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7016   12.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1016   12.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4903   11.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2778   12.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4382    6.8391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8276    6.7496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0840    8.6620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5424    7.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5546    9.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5546   10.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5632    3.0474    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
  5 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  3 14  1  6  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
  8 28  1  0  0  0  0
 28 29  1  0  0  0  0
  9 30  1  0  0  0  0
 30 29  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
  7 32  1  0  0  0  0
 28 33  1  6  0  0  0
  9 34  1  1  0  0  0
 29 35  1  1  0  0  0
 31 36  1  1  0  0  0
 36 37  1  0  0  0  0
  6 38  1  6  0  0  0
 38 39  1  0  0  0  0
  4 40  1  1  0  0  0
  7 41  1  1  0  0  0
  8 42  1  1  0  0  0
 33 43  1  0  0  0  0
 13 44  1  0  0  0  0
 44 45  1  0  0  0  0
 11 12  1  6  0  0  0
M  END
>  <Mol_ID> (529)
529

>  <Formula> (529)
C32H45BrN2O8

>  <MolWeight> (529)
665.6123

>  <Item Name> (529)
Lappaconite Hydrobromide

>  <Catalog Number> (529)
S2387

>  <Synonyms> (529)
N/A

>  <Target> (529)
Others

>  <Form> (529)
Hydrobromide

>  <URL> (529)
http://www.selleckchem.com/products/Lappaconite-Hydrobromide.html

>  <CAS Number> (529)
97792-45-5 

$$$$
L-carnitine.cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.4024    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  6  0  0  0
  1 10  1  0  0  0  0
  1 11  2  0  0  0  0
M  END
>  <Mol_ID> (530)
530

>  <Formula> (530)
C7H15NO3

>  <MolWeight> (530)
161.1989

>  <Item Name> (530)
L-carnitine (Levocarnitine)

>  <Catalog Number> (530)
S2388

>  <Synonyms> (530)
Levocarnitine, Carnitor, vitamin BT, Karnitin

>  <Target> (530)
Others

>  <Form> (530)
quaternary-N  salt

>  <URL> (530)
http://www.selleckchem.com/products/L-carnitine(Levocarnitine).html

>  <CAS Number> (530)
541-15-1

$$$$
Naringin Dihydrochalcone.cdx
csChFnd80/10101813032D

 42 45  0  0  0  0  0  0  0  0999 V2000
    8.4307    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4307    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6434    9.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8562    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8562    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6434    6.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6434   10.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0647    6.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0647    9.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2733    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4818    9.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6904    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0647   10.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9032    9.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1159    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1159    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9032    6.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6904    7.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3245    6.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2221    6.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0136    8.7588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8008    9.4590    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5880    8.7588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5880    7.3584    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8008    6.6582    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8008   10.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3795    6.6607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5922   11.5523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8296    4.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    3.4673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4005    4.1391    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2044    3.4673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2044    2.0673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4005    1.3955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6293    2.0673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8420    2.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3926    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3795    9.4565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 23 27  1  1  0  0  0
 25 28  1  1  0  0  0
 27 29  1  0  0  0  0
 26 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 31 37  1  1  0  0  0
 35 38  1  1  0  0  0
 33 39  1  1  0  0  0
 32 40  1  1  0  0  0
 34 41  1  6  0  0  0
 24 42  1  6  0  0  0
M  END
>  <Mol_ID> (531)
531

>  <Formula> (531)
C27H34O14

>  <MolWeight> (531)
582.55046

>  <Item Name> (531)
Naringin Dihydrochalcone (Naringin DC)

>  <Catalog Number> (531)
S2389 

>  <Synonyms> (531)
Naringin DC

>  <Target> (531)
Phospholipase (e.g. PLA)

>  <Form> (531)
Free Base

>  <URL> (531)
http://www.selleckchem.com/products/Naringin-Dihydrochalcone(Naringin-DC).html

>  <CAS Number> (531)
18916-17-1

$$$$
Polydatin.cdx
csChFnd80/10101813032D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
  6 24  1  1  0  0  0
  2 25  1  1  0  0  0
  1 26  1  6  0  0  0
  3 27  1  6  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (532)
532

>  <Formula> (532)
C20H22O8

>  <MolWeight> (532)
390.38388

>  <Item Name> (532)
Polydatin(Piceid)

>  <Catalog Number> (532)
S2390

>  <Synonyms> (532)
Piceid, 3,4,5-Tsg, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside 

>  <Target> (532)
Phospholipase (e.g. PLA)

>  <Form> (532)
Free Base

>  <URL> (532)
http://www.selleckchem.com/products/Polydatin(Piceid).html

>  <CAS Number> (532)
65914-17-2

$$$$
Quercetin.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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  7 13  2  0  0  0  0
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 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (533)
533

>  <Formula> (533)
C15H10O7

>  <MolWeight> (533)
302.2357

>  <Item Name> (533)
Quercetin (Sophoretin)

>  <Catalog Number> (533)
S2391

>  <Synonyms> (533)
Meletin, Quercetine

>  <Target> (533)
PI3K, PKC, Src, Sirtuin

>  <Form> (533)
Free Base

>  <URL> (533)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

>  <CAS Number> (533)
117-39-5

$$$$
Sesamin.cdx
csChFnd80/10101813032D

 28 33  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  6  0  0  0
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 11 12  1  0  0  0  0
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 17 14  1  0  0  0  0
 14 18  1  6  0  0  0
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 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (534)
534

>  <Formula> (534)
C20H18O6

>  <MolWeight> (534)
354.35332

>  <Item Name> (534)
Sesamin (Fagarol)

>  <Catalog Number> (534)
S2392

>  <Synonyms> (534)
Fagarol, Sezamin

>  <Target> (534)
Others

>  <Form> (534)
Free Base

>  <URL> (534)
http://www.selleckchem.com/products/Sesamin(Fagarol).html

>  <CAS Number> (534)
607-80-7

$$$$
Sorbitol.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0664    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  3  9  1  6  0  0  0
  4 10  1  1  0  0  0
  5 11  1  1  0  0  0
  6 12  1  1  0  0  0
M  END
>  <Mol_ID> (535)
535

>  <Formula> (535)
C6H14O6

>  <MolWeight> (535)
182.17176

>  <Item Name> (535)
Sorbitol (Glucitol)

>  <Catalog Number> (535)
S2393

>  <Synonyms> (535)
Glucitol 

>  <Target> (535)
Others

>  <Form> (535)
Free Base

>  <URL> (535)
http://www.selleckchem.com/products/Sorbitol(Glucitol).html

>  <CAS Number> (535)
50-70-4 

$$$$
Naringenin.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (536)
536

>  <Formula> (536)
C15H12O5

>  <MolWeight> (536)
272.25278

>  <Item Name> (536)
Naringenin

>  <Catalog Number> (536)
S2394

>  <Synonyms> (536)
N/A

>  <Target> (536)
P450

>  <Form> (536)
Free Base

>  <URL> (536)
http://www.selleckchem.com/products/Naringenin.html

>  <CAS Number> (536)
480-41-1

$$$$
Salidroside.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  3  8  1  1  0  0  0
  5  9  1  1  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  2 19  1  6  0  0  0
  4 20  1  6  0  0  0
  7 21  1  0  0  0  0
M  END
>  <Mol_ID> (537)
537

>  <Formula> (537)
C14H20O7

>  <MolWeight> (537)
300.3044

>  <Item Name> (537)
Salidroside (Rhodioloside)

>  <Catalog Number> (537)
S2396

>  <Synonyms> (537)
Rhodioloside

>  <Target> (537)
Others

>  <Form> (537)
Free Base

>  <URL> (537)
http://www.selleckchem.com/products/Salidroside-Rhodioloside.html

>  <CAS Number> (537)
10338-51-9

$$$$
Palmatine hydrochloride.cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (538)
538

>  <Formula> (538)
C21H22ClNO4

>  <MolWeight> (538)
387.85668

>  <Item Name> (538)
Palmatine chloride

>  <Catalog Number> (538)
S2397

>  <Synonyms> (538)
Palmatine hydrochloride

>  <Target> (538)
Others

>  <Form> (538)
Chloride

>  <URL> (538)
http://www.selleckchem.com/products/Palmatine-chloride.html

>  <CAS Number> (538)
10605-02-4

$$$$
Pramipexole.cdx
csChFnd80/10101813032D

 17 15  0  0  0  0  0  0  0  0999 V2000
    4.8329    4.2583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8329    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    4.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.9559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    2.4257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    4.6910    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    3.5583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4781    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1036    2.5421    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7037    2.5421    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (539)
539

>  <Formula> (539)
C10H21Cl2N3OS

>  <MolWeight> (539)
302.26424

>  <Item Name> (539)
Pramipexole dihydrochloride monohydrate 

>  <Catalog Number> (539)
S2011

>  <Synonyms> (539)
Mirapex 

>  <Target> (539)
Dopamine Receptor

>  <Form> (539)
Dihydrochloride monohydrate

>  <URL> (539)
http://www.selleckchem.com/products/Pramipexole-dihydrochloride-monohydrate.html

>  <CAS Number> (539)
191217-81-9

$$$$
TRANCOPAL (chlormezanone).cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3538    0.8851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    0.8851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
  9 16  2  0  0  0  0
  9 17  2  0  0  0  0
M  END
>  <Mol_ID> (540)
540

>  <Formula> (540)
C11H12ClNO3S

>  <MolWeight> (540)
273.73588

>  <Item Name> (540)
Chlormezanone (Trancopal)

>  <Catalog Number> (540)
S2021

>  <Synonyms> (540)
Trancopal

>  <Target> (540)
Others

>  <Form> (540)
Free Base

>  <URL> (540)
http://www.selleckchem.com/products/Chlormezanone(Trancopal).html

>  <CAS Number> (540)
80-77-3

$$$$
ATACAND (candesartan cilexetil).cdx
csChFnd80/10101813032D

 45 50  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4702    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2224    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0453    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2224    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2224    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4404    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1404    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5404    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6472    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8597    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8597    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6472    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0679    6.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2803    6.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4928    6.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4928    8.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2803    8.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0679    8.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2803    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1477    3.8122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5803    2.4807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9803    2.4807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4130    3.8122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  8 15  2  0  0  0  0
 10 16  1  0  0  0  0
 14 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 14  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 21  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
 36 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 41  1  0  0  0  0
M  END
>  <Mol_ID> (541)
541

>  <Formula> (541)
C33H34N6O6

>  <MolWeight> (541)
610.65966

>  <Item Name> (541)
Candesartan cilexetil (Atacand)

>  <Catalog Number> (541)
S2037

>  <Synonyms> (541)
Atacand, Amias, Blopress, Ratacand, TCV 116, TCY 116 

>  <Target> (541)
RAAS

>  <Form> (541)
Free Base

>  <URL> (541)
http://www.selleckchem.com/products/Candesartan-cilexetil-Atacand.html

>  <CAS Number> (541)
145040-37-5

$$$$
dextrose.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  5 10  1  1  0  0  0
  6 11  1  1  0  0  0
  7 12  2  0  0  0  0
M  END
>  <Mol_ID> (542)
542

>  <Formula> (542)
C6H12O6

>  <MolWeight> (542)
180.15588

>  <Item Name> (542)
Dextrose (D-glucose)

>  <Catalog Number> (542)
S2123

>  <Synonyms> (542)
D-glucose, Grape sugar 

>  <Target> (542)
Others

>  <Form> (542)
Free Base

>  <URL> (542)
http://www.selleckchem.com/products/Dextrose(D-glucose).html

>  <CAS Number> (542)
50-99-7

$$$$
XYLO-PFAN (xylose).cdx
csChFnd80/10101813032D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  3  8  1  6  0  0  0
  5  9  1  6  0  0  0
  4 10  1  6  0  0  0
M  END
>  <Mol_ID> (543)
543

>  <Formula> (543)
C5H10O5

>  <MolWeight> (543)
150.1299

>  <Item Name> (543)
Xylose

>  <Catalog Number> (543)
S2124

>  <Synonyms> (543)
N/A

>  <Target> (543)
Others

>  <Form> (543)
Free Base

>  <URL> (543)
http://www.selleckchem.com/products/Xylose.html

>  <CAS Number> (543)
25990-60-7

$$$$
mestranol.cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    4.6326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.7869    6.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (544)
544

>  <Formula> (544)
C21H26O2

>  <MolWeight> (544)
310.42994

>  <Item Name> (544)
Mestranol

>  <Catalog Number> (544)
S2125

>  <Synonyms> (544)
N/A

>  <Target> (544)
NULL

>  <Form> (544)
Free Base

>  <URL> (544)
http://www.selleckchem.com/products/Mestranol.html

>  <CAS Number> (544)
72-33-3

$$$$
Naftopidil.cdx
csChFnd80/10101813032D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (545)
545

>  <Formula> (545)
C24H28N2O3

>  <MolWeight> (545)
392.49072

>  <Item Name> (545)
Naftopidil (Flivas)

>  <Catalog Number> (545)
S2126

>  <Synonyms> (545)
KT-611, BM-15275 

>  <Target> (545)
Adrenergic Receptor

>  <Form> (545)
Free Base

>  <URL> (545)
http://www.selleckchem.com/products/Naftopidil(Flivas).html

>  <CAS Number> (545)
57149-07-2

$$$$
S-(+)-Rolipram.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.6538    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  4  1  6  0  0  0
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M  END
>  <Mol_ID> (546)
546

>  <Formula> (546)
C16H21NO3

>  <MolWeight> (546)
275.34284

>  <Item Name> (546)
S-(+)-Rolipram

>  <Catalog Number> (546)
S2127

>  <Synonyms> (546)
N/A

>  <Target> (546)
PDE

>  <Form> (546)
Free Base

>  <URL> (546)
http://www.selleckchem.com/products/sRolipram.html

>  <CAS Number> (546)
85416-73-5

$$$$
Atropine sulfate monohydrate.cdx
csChFnd80/10101813032D

 52 54  0  0  0  0  0  0  0  0999 V2000
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   16.2667    8.5264    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (547)
547

>  <Formula> (547)
C34H50N2O11S

>  <MolWeight> (547)
694.8326

>  <Item Name> (547)
Atropine sulfate monohydrate

>  <Catalog Number> (547)
S2130

>  <Synonyms> (547)
Tropine 

>  <Target> (547)
AChR

>  <Form> (547)
Sulfate monohydrate

>  <URL> (547)
http://www.selleckchem.com/products/Atropine-sulfate-monohydrate.html

>  <CAS Number> (547)
5908-99-6

$$$$
Roflumilast.cdx
csChFnd80/10101813032D

 26 28  0  0  0  0  0  0  0  0999 V2000
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Daxas

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PDE

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Free Base

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>  <CAS Number> (548)
162401-32-3

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>  <Item Name> (549)
E7080 (Lenvatinib)

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S1164 

>  <Synonyms> (549)
N/A

>  <Target> (549)
VEGFR

>  <Form> (549)
Free Base

>  <URL> (549)
http://www.selleckchem.com/products/E7080.html

>  <CAS Number> (549)
417716-92-8

$$$$
AZD8330.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (550)
550

>  <Formula> (550)
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>  <Item Name> (550)
AZD8330

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S2134

>  <Synonyms> (550)
N/A 

>  <Target> (550)
MEK

>  <Form> (550)
Free Base

>  <URL> (550)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

>  <CAS Number> (550)
869357-68-6

$$$$
Biotin.cdx
csChFnd80/10101813032D

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Biotin (Vitamin B7)

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>  <Synonyms> (551)
N/A

>  <Target> (551)
Vitamin

>  <Form> (551)
Free Base

>  <URL> (551)
http://www.selleckchem.com/products/biotin-vitamin-b7.html

>  <CAS Number> (551)
58-85-5

$$$$
Dexamethasone acetate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (552)
552

>  <Formula> (552)
C24H31FO6

>  <MolWeight> (552)
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>  <Item Name> (552)
Dexamethasone acetate

>  <Catalog Number> (552)
S3124

>  <Synonyms> (552)
N/A

>  <Target> (552)
IL Receptor,Autophagy

>  <Form> (552)
Free Base

>  <URL> (552)
http://www.selleckchem.com/products/dexamethasone-acetate.html

>  <CAS Number> (552)
1177-87-3

$$$$
Ethynodiol diacetate.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (553)
553

>  <Formula> (553)
C24H32O4

>  <MolWeight> (553)
384.50848

>  <Item Name> (553)
Ethynodiol diacetate

>  <Catalog Number> (553)
S3160

>  <Synonyms> (553)
N/A 

>  <Target> (553)
Estrogen/progestogen Receptor

>  <Form> (553)
Free Base

>  <URL> (553)
http://www.selleckchem.com/products/ethynodiol-diacetate.html

>  <CAS Number> (553)
297-76-7

$$$$
Atomoxetine hydrochloride.cdx
csChFnd80/10101813032D

 20 20  0  0  0  0  0  0  0  0999 V2000
    6.3000    0.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.7745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.9000    2.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    5.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0000    4.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5920    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  3  5  1  0  0  0  0
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 13 14  2  0  0  0  0
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  3 11  1  1  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (554)
554

>  <Formula> (554)
C17H22ClNO

>  <MolWeight> (554)
291.81568

>  <Item Name> (554)
Atomoxetine HCl

>  <Catalog Number> (554)
S3175

>  <Synonyms> (554)
N/A 

>  <Target> (554)
5-HT Receptor

>  <Form> (554)
hydrochloride

>  <URL> (554)
http://www.selleckchem.com/products/atomoxetine-hydrochloride.html

>  <CAS Number> (554)
82248-59-7

$$$$
BRL54443.cdx
csChFnd80/10101813032D

 17 19  0  0  0  0  0  0  0  0999 V2000
    7.4394    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9429    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7305    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    2.1522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    3.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    2.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (555)
555

>  <Formula> (555)
C14H18N2O

>  <MolWeight> (555)
230.30552

>  <Item Name> (555)
BRL 54443

>  <Catalog Number> (555)
S2852

>  <Synonyms> (555)
N/A 

>  <Target> (555)
5-HT Receptor

>  <Form> (555)
Free Base

>  <URL> (555)
http://www.selleckchem.com/products/brl-54443.html

>  <CAS Number> (555)
57477-39-1

$$$$
GSK 1292263.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
   15.0436    2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3181    3.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9115    3.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2373    2.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9629    0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3695    0.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4501    2.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1757    0.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5823    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2563    2.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5309    3.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1243    3.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6558    2.2418    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.6855    0.8421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 10  9  1  0  0  0  0
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 10 13  1  0  0  0  0
  1  7  1  0  0  0  0
 20 19  1  0  0  0  0
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 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (556)
556

>  <Formula> (556)
C23H28N4O4S

>  <MolWeight> (556)
456.55782

>  <Item Name> (556)
GSK1292263

>  <Catalog Number> (556)
S2149

>  <Synonyms> (556)
N/A

>  <Target> (556)
GPR 

>  <Form> (556)
Free Base

>  <URL> (556)
http://www.selleckchem.com/products/GSK1292263.html

>  <CAS Number> (556)
1032823-75-8

$$$$
Methenamine.cdx
csChFnd80/10101813032D

 10 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6276    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1923    3.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400    3.4046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
M  END
>  <Mol_ID> (557)
557

>  <Formula> (557)
C6H12N4

>  <MolWeight> (557)
140.18628

>  <Item Name> (557)
Methenamine (Mandelamine)

>  <Catalog Number> (557)
S3139

>  <Synonyms> (557)
N/A 

>  <Target> (557)
Antifection

>  <Form> (557)
Free Base

>  <URL> (557)
http://www.selleckchem.com/products/methenamine-mandelamine.html

>  <CAS Number> (557)
100-97-0 

$$$$
Moguisteine.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
   11.2870    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2870    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7204    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5037    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7161    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0746    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6497    2.1024    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.0752    4.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7438    4.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034    3.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    3.9717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944    2.1697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    3.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
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 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (558)
558

>  <Formula> (558)
C16H21NO5S

>  <MolWeight> (558)
339.40664

>  <Item Name> (558)
Moguisteine

>  <Catalog Number> (558)
S3104

>  <Synonyms> (558)
N/A 

>  <Target> (558)
Others

>  <Form> (558)
Free Base

>  <URL> (558)
http://www.selleckchem.com/products/moguisteine.html

>  <CAS Number> (558)
119637-67-1

$$$$
Nadifloxacin.cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1243    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    4.9004    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  1 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  9 13  1  0  0  0  0
  1 11  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  3 14  1  0  0  0  0
  2 17  2  0  0  0  0
  6 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 13 19  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <Mol_ID> (559)
559

>  <Formula> (559)
C19H21FN2O4

>  <MolWeight> (559)
360.3794432

>  <Item Name> (559)
Nadifloxacin

>  <Catalog Number> (559)
S3105

>  <Synonyms> (559)
Nadixa 

>  <Target> (559)
Antifection

>  <Form> (559)
Free Base

>  <URL> (559)
http://www.selleckchem.com/products/nadifloxacin.html

>  <CAS Number> (559)
124858-35-1

$$$$
Amitriptyline hydrochloride.cdx
csChFnd80/10101813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.1550    1.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1650    2.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316    1.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5073    1.5240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3660    3.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9640    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
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 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 10 21  2  0  0  0  0
 11 18  2  0  0  0  0
  3  9  2  0  0  0  0
M  END
>  <Mol_ID> (560)
560

>  <Formula> (560)
C20H24ClN

>  <MolWeight> (560)
313.86426

>  <Item Name> (560)
Amitriptyline HCl 

>  <Catalog Number> (560)
S3183

>  <Synonyms> (560)
N/A 

>  <Target> (560)
5-HT Receptor

>  <Form> (560)
hydrochloride

>  <URL> (560)
http://www.selleckchem.com/products/amitriptyline-hydrochloride.html

>  <CAS Number> (560)
549-18-8

$$$$
LDE225.cdx
csChFnd80/10101813032D

 35 38  0  0  0  0  0  0  0  0999 V2000
   11.1830    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8830    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2830    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9830    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2830    3.6331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8830    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3781    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0781    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4781    1.2082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1781    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4781    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   18.1757    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1757    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
 11 13  1  1  0  0  0
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 23 17  1  0  0  0  0
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 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
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 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (561)
561

>  <Formula> (561)
C26H26F3N3O3

>  <MolWeight> (561)
485.4981496

>  <Item Name> (561)
LDE225 (NVP-LDE225, Erismodegib)

>  <Catalog Number> (561)
S2151

>  <Synonyms> (561)
N/A 

>  <Target> (561)
Smoothened

>  <Form> (561)
Free Base

>  <URL> (561)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

>  <CAS Number> (561)
956697-53-3

$$$$
Dabigatran etexilate.cdx
csChFnd80/10101813032D

 46 49  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1286    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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N/A 

>  <Target> (562)
Thrombin

>  <Form> (562)
Free Base

>  <URL> (562)
http://www.selleckchem.com/products/BIBR-1048(Dabigatran-etexilate).html

>  <CAS Number> (562)
211915-06-9

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KW2449.cdx
csChFnd80/10101813032D

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Flt, Bcr-Abl, Aurora Kinase

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Free Base

>  <URL> (563)
http://www.selleckchem.com/products/KW-2449.html

>  <CAS Number> (563)
1000669-72-6

$$$$
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564

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L-084, TBPM-PI, ME1211 

>  <Target> (564)
Antifection

>  <Form> (564)
Free Base

>  <URL> (564)
http://www.selleckchem.com/products/Tebipenem-pivoxil(L-084).html

>  <CAS Number> (564)
161715-24-8

$$$$
raf265.cdx
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N/A 

>  <Target> (565)
Raf, VEGFR

>  <Form> (565)
Free Base

>  <URL> (565)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

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927880-90-8

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>  <Mol_ID> (566)
566

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C24H30ClN3O5

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475.9651

>  <Item Name> (566)
ITF2357 (Givinostat)

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S2170

>  <Synonyms> (566)
N/A 

>  <Target> (566)
HDAC 

>  <Form> (566)
Chloride

>  <URL> (566)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

>  <CAS Number> (566)
732302-99-7

$$$$
Daphnetin.cdx
csChFnd80/10101813032D

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567

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C9H6O4

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Daphnetin

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S2554 

>  <Synonyms> (567)
N/A 

>  <Target> (567)
DNA/RNA Synthesis

>  <Form> (567)
Free Base

>  <URL> (567)
http://www.selleckchem.com/products/Daphnetin.html

>  <CAS Number> (567)
486-35-1

$$$$
Cyclophosphamide monohydrate.cdx
csChFnd80/10101813032D

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568

>  <Formula> (568)
C7H17Cl2N2O3P

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>  <Item Name> (568)
Cyclophosphamide monohydrate

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S2057

>  <Synonyms> (568)
N/A

>  <Target> (568)
DNA alkylator

>  <Form> (568)
Monohydrate

>  <URL> (568)
http://www.selleckchem.com/products/cyclophosphamide-monohydrate.html

>  <CAS Number> (568)
6055-19-2

$$$$
AG14361.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (569)
569

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C19H20N4O

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AG14361

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S2178

>  <Synonyms> (569)
N/A

>  <Target> (569)
PARP

>  <Form> (569)
Free Base

>  <URL> (569)
http://www.selleckchem.com/products/AG14361.html

>  <CAS Number> (569)
328543-09-5

$$$$
LY2784544.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (570)
570

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C23H25ClFN7O

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>  <Item Name> (570)
Gandotinib (LY2784544)

>  <Catalog Number> (570)
S2179

>  <Synonyms> (570)
N/A

>  <Target> (570)
JAK 

>  <Form> (570)
Free Base

>  <URL> (570)
http://www.selleckchem.com/products/LY2784544.html

>  <CAS Number> (570)
1229236-86-5

$$$$
MLN2238.cdx
csChFnd80/10101813032D

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    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 17  2  0  0  0  0
 12 18  2  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (571)
571

>  <Formula> (571)
C14H19BCl2N2O4

>  <MolWeight> (571)
361.02866

>  <Item Name> (571)
Ixazomib (MLN2238)

>  <Catalog Number> (571)
S2180

>  <Synonyms> (571)
N/A

>  <Target> (571)
Proteasome 

>  <Form> (571)
Free Base

>  <URL> (571)
http://www.selleckchem.com/products/MLN-2238.html

>  <CAS Number> (571)
1072833-77-2

$$$$
DESLORATADINE (desloratadine).cdx
csChFnd80/10101813032D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.0577    6.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577    5.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    4.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4826    5.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4826    6.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    7.2620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5315    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332    1.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594    0.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1808    0.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2071    1.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8955    2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5577    3.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2229    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  9  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 13  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (572)
572

>  <Formula> (572)
C19H19ClN2

>  <MolWeight> (572)
310.82056

>  <Item Name> (572)
Desloratadine 

>  <Catalog Number> (572)
S4012

>  <Synonyms> (572)
N/A

>  <Target> (572)
Histamine Receptor

>  <Form> (572)
Free Base

>  <URL> (572)
http://www.selleckchem.com/products/desloratadine.html

>  <CAS Number> (572)
100643-71-8

$$$$
Ornidazole.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4116    5.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    3.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431    3.2338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5660    4.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431    5.4991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    2.8436    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    1.4512    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1742    1.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5388    1.6169    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9700    0.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4724    2.6537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9611    4.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
  4 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (573)
573

>  <Formula> (573)
C7H10ClN3O3

>  <MolWeight> (573)
219.6256

>  <Item Name> (573)
Ornidazole

>  <Catalog Number> (573)
S3121

>  <Synonyms> (573)
N/A 

>  <Target> (573)
Antifection

>  <Form> (573)
Free Base

>  <URL> (573)
http://www.selleckchem.com/products/ornidazole.html

>  <CAS Number> (573)
16773-42-5

$$$$
Oxybutynin chloride.cdx
csChFnd80/10101813032D

 27 27  0  0  0  0  0  0  0  0999 V2000
    2.4291    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2097    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4333    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    5.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    7.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2218    6.2668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    4.9097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5304    0.7154    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  8  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  3  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (574)
574

>  <Formula> (574)
C22H32ClNO3

>  <MolWeight> (574)
393.94738

>  <Item Name> (574)
Oxybutynin chloride

>  <Catalog Number> (574)
S3117

>  <Synonyms> (574)
N/A 

>  <Target> (574)
AChR

>  <Form> (574)
Chloride

>  <URL> (574)
http://www.selleckchem.com/products/oxybutynin-chloride.html

>  <CAS Number> (574)
1508-65-2

$$$$
MLN9708.cdx
csChFnd80/10101813032D

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    5.6097    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    5.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    4.2073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3537    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    5.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    7.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0561    2.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5703    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9339    6.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9440    7.2567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2862    6.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3561    1.7782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4561    2.9907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 15  1  0  0  0  0
 25 27  2  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 28 33  2  0  0  0  0
 28 34  1  0  0  0  0
M  END
>  <Mol_ID> (575)
575

>  <Formula> (575)
C20H23BCl2N2O9

>  <MolWeight> (575)
517.12162

>  <Item Name> (575)
Ixazomib Citrate (MLN9708)

>  <Catalog Number> (575)
S2181

>  <Synonyms> (575)
N/A

>  <Target> (575)
Proteasome

>  <Form> (575)
Free Base

>  <URL> (575)
http://www.selleckchem.com/products/MLN9708.html

>  <CAS Number> (575)
1201902-80-8

$$$$
SB743921.cdx
csChFnd80/10101813032D

 38 40  0  0  0  0  0  0  0  0999 V2000
    6.0538   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   12.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   12.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   14.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    9.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (576)
576

>  <Formula> (576)
C31H34Cl2N2O3

>  <MolWeight> (576)
553.51926

>  <Item Name> (576)
SB743921 HCl

>  <Catalog Number> (576)
S2182 

>  <Synonyms> (576)
N/A

>  <Target> (576)
Kinesin

>  <Form> (576)
Hydrochloride

>  <URL> (576)
http://www.selleckchem.com/products/SB-743921.html

>  <CAS Number> (576)
940929-33-9

$$$$
ivermectin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (577)
577

>  <Formula> (577)
C48H74O14

>  <MolWeight> (577)
875.09276

>  <Item Name> (577)
Ivermectin

>  <Catalog Number> (577)
S1351

>  <Synonyms> (577)
Stromectol

>  <Target> (577)
Antifection

>  <Form> (577)
Free Base

>  <URL> (577)
http://www.selleckchem.com/products/Ivermectin.html

>  <CAS Number> (577)
70288-86-7

$$$$
AVC (sulfanilamide).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (578)
578

>  <Formula> (578)
C6H8N2O2S

>  <MolWeight> (578)
172.20492

>  <Item Name> (578)
Sulfanilamide

>  <Catalog Number> (578)
S1685

>  <Synonyms> (578)
N/A

>  <Target> (578)
Antifection

>  <Form> (578)
Free Base

>  <URL> (578)
http://www.selleckchem.com/products/Sulfanilamide.html

>  <CAS Number> (578)
63-74-1

$$$$
Avasimibe.cdx
csChFnd80/10101813032D

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N/A

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NVP-BHG712

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N/A

>  <Target> (587)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (587)
Free Base

>  <URL> (587)
http://www.selleckchem.com/products/NVP-BHG712.html

>  <CAS Number> (587)
940310-85-0

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csChFnd80/10101813032D

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>  <Mol_ID> (588)
588

>  <Formula> (588)
C21H22ClN3O4

>  <MolWeight> (588)
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>  <Item Name> (588)
OSI-420 (Desmethyl Erlotinib)

>  <Catalog Number> (588)
S2205

>  <Synonyms> (588)
CP-473420 

>  <Target> (588)
EGFR

>  <Form> (588)
Hydrochloride

>  <URL> (588)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

>  <CAS Number> (588)
183320-51-6

$$$$
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>  <Mol_ID> (589)
589

>  <Formula> (589)
C22H19N7O

>  <MolWeight> (589)
397.43256

>  <Item Name> (589)
PIK-293

>  <Catalog Number> (589)
S2207

>  <Synonyms> (589)
N/A

>  <Target> (589)
PI3K

>  <Form> (589)
Free Base

>  <URL> (589)
http://www.selleckchem.com/products/PIK-293.html

>  <CAS Number> (589)
900185-01-5 

$$$$
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csChFnd80/10101813032D

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>  <Mol_ID> (590)
590

>  <Formula> (590)
C19H26O3

>  <MolWeight> (590)
302.40794

>  <Item Name> (590)
Formestane

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S2208

>  <Synonyms> (590)
Lentaron(R), 17-dione, CGP-32349, NSC 282175 

>  <Target> (590)
Aromatase 

>  <Form> (590)
Free Base

>  <URL> (590)
http://www.selleckchem.com/products/Formestane.html

>  <CAS Number> (590)
566-48-3

$$$$
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JAK

>  <Form> (591)
Free Base

>  <URL> (591)
http://www.selleckchem.com/products/AZ-960.html

>  <CAS Number> (591)
905586-69-8

$$$$
DAPT.cdx
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GSI-IX

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Gamma-secretase, Beta Amyloid

>  <Form> (592)
Free Base

>  <URL> (592)
http://www.selleckchem.com/products/DAPT-GSI-IX.html

>  <CAS Number> (592)
208255-80-5

$$$$
Mubritinib.cdx
csChFnd80/10101813032D

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>  <Item Name> (593)
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>  <Synonyms> (593)
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>  <Target> (593)
HER2

>  <Form> (593)
Free Base

>  <URL> (593)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

>  <CAS Number> (593)
366017-09-6

$$$$
irinotecan.cdx
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M  END
>  <Mol_ID> (594)
594

>  <Formula> (594)
C33H45ClN4O9

>  <MolWeight> (594)
677.1848

>  <Item Name> (594)
Irinotecan HCl Trihydrate (Campto)

>  <Catalog Number> (594)
S2217 

>  <Synonyms> (594)
CPT 11, Camptosar, Campto, Irinotecan 

>  <Target> (594)
Topoisomerase

>  <Form> (594)
HCl & trihydrat

>  <URL> (594)
http://www.selleckchem.com/products/Irinotecan-Hcl-Trihydrate-Campto.html

>  <CAS Number> (594)
136572-09-3

$$$$
PP442.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (595)
595

>  <Formula> (595)
C16H16N6O

>  <MolWeight> (595)
308.33784

>  <Item Name> (595)
Torkinib (PP242)

>  <Catalog Number> (595)
S2218

>  <Synonyms> (595)
TORKinib 

>  <Target> (595)
mTOR

>  <Form> (595)
Free Base

>  <URL> (595)
http://www.selleckchem.com/products/PP242.html

>  <CAS Number> (595)
1092351-67-1

$$$$
CYT 387.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (596)
596

>  <Formula> (596)
C23H22N6O2

>  <MolWeight> (596)
414.45978

>  <Item Name> (596)
Momelotinib (CYT387)

>  <Catalog Number> (596)
S2219

>  <Synonyms> (596)
CYT 11387 

>  <Target> (596)
JAK 

>  <Form> (596)
Free Base

>  <URL> (596)
http://www.selleckchem.com/products/Cyt387.html

>  <CAS Number> (596)
1056634-68-4

$$$$
SB 590885.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (597)
597

>  <Formula> (597)
C27H27N5O2

>  <MolWeight> (597)
453.53558

>  <Item Name> (597)
SB590885

>  <Catalog Number> (597)
S2220

>  <Synonyms> (597)
GSK2118436 

>  <Target> (597)
Raf

>  <Form> (597)
Free Base

>  <URL> (597)
http://www.selleckchem.com/products/SB590885.html

>  <CAS Number> (597)
405554-55-4 

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (598)
598

>  <Formula> (598)
C22H18O11

>  <MolWeight> (598)
458.37172

>  <Item Name> (598)
(-)-Epigallocatechin gallate

>  <Catalog Number> (598)
S2250

>  <Synonyms> (598)
EGCG

>  <Target> (598)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (598)
Free Base

>  <URL> (598)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

>  <CAS Number> (598)
989-51-5

$$$$
(+)-Usniacin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (599)
599

>  <Formula> (599)
C18H16O7

>  <MolWeight> (599)
344.31544

>  <Item Name> (599)
(+)-Usniacin (D-Usnic acid)

>  <Catalog Number> (599)
S2252

>  <Synonyms> (599)
D-Usnic acid

>  <Target> (599)
Others

>  <Form> (599)
Free Base

>  <URL> (599)
http://www.selleckchem.com/products/(+)-Usniacin(D-Usnic-acid).html

>  <CAS Number> (599)
7562-61-0

$$$$
3-Indolebutyric acid.cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (600)
600

>  <Formula> (600)
C12H13NO2

>  <MolWeight> (600)
203.23712

>  <Item Name> (600)
3-Indolebutyric acid (IBA)

>  <Catalog Number> (600)
S2253

>  <Synonyms> (600)
IBA

>  <Target> (600)
Others

>  <Form> (600)
Free Base

>  <URL> (600)
http://www.selleckchem.com/products/3-Indolebutyric-acid(IBA).html

>  <CAS Number> (600)
133-32-4

$$$$
4-Methylumbelliferone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (601)
601

>  <Formula> (601)
C10H8O3

>  <MolWeight> (601)
176.16872

>  <Item Name> (601)
4-Methylumbelliferone (4-MU)

>  <Catalog Number> (601)
S2256

>  <Synonyms> (601)
4-MU

>  <Target> (601)
Others

>  <Form> (601)
Free Base

>  <URL> (601)
http://www.selleckchem.com/products/4-Methylumbelliferone(4-MU).html

>  <CAS Number> (601)
90-33-5

$$$$
AESCULIN.cdx
csChFnd80/10101813032D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (602)
602

>  <Formula> (602)
C15H16O9

>  <MolWeight> (602)
340.28214

>  <Item Name> (602)
Aesculin (Esculin)

>  <Catalog Number> (602)
S2258

>  <Synonyms> (602)
Esculin

>  <Target> (602)
Others

>  <Form> (602)
Free Base

>  <URL> (602)
http://www.selleckchem.com/products/Aesculin(Esculin).html

>  <CAS Number> (602)
531-75-9

$$$$
Amygdalin.cdx
csChFnd80/10101813032D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (603)
603

>  <Formula> (603)
C20H27NO11

>  <MolWeight> (603)
457.42848

>  <Item Name> (603)
Amygdalin

>  <Catalog Number> (603)
S2260

>  <Synonyms> (603)
N/A

>  <Target> (603)
Others

>  <Form> (603)
Free Base

>  <URL> (603)
http://www.selleckchem.com/products/Amygdalin.html

>  <CAS Number> (603)
29883-15-6

$$$$
Andrographolide.cdx
csChFnd80/10101813032D

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C20H30O5

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Andrographolide

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S2261

>  <Synonyms> (604)
N/A

>  <Target> (604)
NF-¦ÊB

>  <Form> (604)
Free Base

>  <URL> (604)
http://www.selleckchem.com/products/Andrographolide.html

>  <CAS Number> (604)
5508-58-7

$$$$
Apigenin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (605)
605

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C15H10O5

>  <MolWeight> (605)
270.2369

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Apigenin

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S2262

>  <Synonyms> (605)
N/A

>  <Target> (605)
P450

>  <Form> (605)
Free Base

>  <URL> (605)
http://www.selleckchem.com/products/Apigenin.html

>  <CAS Number> (605)
520-36-5

$$$$
Arbutin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (606)
606

>  <Formula> (606)
C12H16O7

>  <MolWeight> (606)
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Arbutin (Uva, p-Arbutin)

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S2263

>  <Synonyms> (606)
Uva, Ursi, p-Arbutin, Hydroquinone ¦Â-D-glucopyranoside 

>  <Target> (606)
Estrogen/progestogen Receptor

>  <Form> (606)
Free Base

>  <URL> (606)
http://www.selleckchem.com/products/Arbutin(Uva,-p-Arbutin).html

>  <CAS Number> (606)
497-76-7

$$$$
Ipriflavone.cdx
csChFnd80/10101813032D

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607

>  <Formula> (607)
C18H16O3

>  <MolWeight> (607)
280.31784

>  <Item Name> (607)
Ipriflavone

>  <Catalog Number> (607)
S2422 

>  <Synonyms> (607)
N/A 

>  <Target> (607)
Others

>  <Form> (607)
Free Base

>  <URL> (607)
http://www.selleckchem.com/products/ipriflavone.html

>  <CAS Number> (607)
35212-22-7

$$$$
Asiatic acid.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (608)
608

>  <Formula> (608)
C30H48O5

>  <MolWeight> (608)
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>  <Item Name> (608)
Asiatic acid

>  <Catalog Number> (608)
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>  <Synonyms> (608)
N/A

>  <Target> (608)
p38 MAPK

>  <Form> (608)
Free Base

>  <URL> (608)
http://www.selleckchem.com/products/Asiatic-acid.html

>  <CAS Number> (608)
464-92-6

$$$$
Baicalein.cdx
csChFnd80/10101813032D

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P450

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Free Base

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http://www.selleckchem.com/products/Baicalein.html

>  <CAS Number> (609)
491-67-8

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GluR

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>  <CAS Number> (610)
96206-92-7

$$$$
PNU200577.cdx
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5-hydroxymethyl tolterodine (PNU 200577)

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S2659 

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N/A

>  <Target> (611)
AChR 

>  <Form> (611)
Free Base

>  <URL> (611)
http://www.selleckchem.com/products/5-hydroxymethyl-tolterodine-pnu-200577.html

>  <CAS Number> (611)
207679-81-0

$$$$
Baicalin.cdx
csChFnd80/10101813032D

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612

>  <Formula> (612)
C21H18O11

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>  <Item Name> (612)
Baicalin

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N/A

>  <Target> (612)
GABA Receptor

>  <Form> (612)
Free Base

>  <URL> (612)
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>  <CAS Number> (612)
21967-41-9

$$$$
>  <Mol_ID> (613)
613

>  <Item Name> (613)
Azithromycin

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s1835

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CP-62993, XZ-450

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autophagy

>  <Form> (613)
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>  <URL> (613)
http://www.selleckchem.com/products/azithromycin-zithromax.h

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83905-01-5

$$$$
VX 765.cdx
csChFnd80/10101813032D

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>  <Target> (614)
Caspase

>  <Form> (614)
Free Base

>  <URL> (614)
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>  <CAS Number> (614)
273404-37-8

$$$$
Bengenin.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    7.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
  2 15  1  6  0  0  0
  5 16  1  6  0  0  0
  1 17  1  1  0  0  0
  3 18  1  1  0  0  0
  4 19  1  1  0  0  0
 17 20  1  0  0  0  0
  8 21  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
>  <Mol_ID> (615)
615

>  <Formula> (615)
C14H16O9

>  <MolWeight> (615)
328.27144

>  <Item Name> (615)
Bergenin (Cuscutin)

>  <Catalog Number> (615)
S2270

>  <Synonyms> (615)
Cuscutin

>  <Target> (615)
Others

>  <Form> (615)
Free Base

>  <URL> (615)
http://www.selleckchem.com/products/Bergenin-(Cuscutin).html

>  <CAS Number> (615)
477-90-7

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    7.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7739    8.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6214    0.0802    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (616)
616

>  <Formula> (616)
C20H18ClNO4

>  <MolWeight> (616)
371.81422

>  <Item Name> (616)
Berberine chloride

>  <Catalog Number> (616)
S2271

>  <Synonyms> (616)
N/A

>  <Target> (616)
Antifection

>  <Form> (616)
chloride

>  <URL> (616)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

>  <CAS Number> (616)
633-65-8

$$$$
Bilobalide.cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.2921    5.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    3.4147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9921    3.4147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4247    4.7462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1595    2.0832    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2921    1.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4247    2.0832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1247    2.5918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2574    3.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8247    4.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    4.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    3.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    2.0832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    5.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5842    2.9836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4770    2.2294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6372    1.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9895    1.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4551    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6271    0.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1247    5.9586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0624    0.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    0.8708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  6  0  0  0
  3 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  1  6  0  0  0
 13 15  2  0  0  0  0
  2 16  2  0  0  0  0
 10 17  2  0  0  0  0
  9 18  1  6  0  0  0
  8 19  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  5 23  1  1  0  0  0
  8 24  1  1  0  0  0
  6 25  1  1  0  0  0
M  END
>  <Mol_ID> (617)
617

>  <Formula> (617)
C15H18O8

>  <MolWeight> (617)
326.29862

>  <Item Name> (617)
Bilobalide

>  <Catalog Number> (617)
S2276

>  <Synonyms> (617)
N/A

>  <Target> (617)
Others

>  <Form> (617)
Free Base

>  <URL> (617)
http://www.selleckchem.com/products/Bilobalide.html

>  <CAS Number> (617)
33570-04-6

$$$$
Caffeic acid.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    3.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    5.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (618)
618

>  <Formula> (618)
C9H8O4

>  <MolWeight> (618)
180.15742

>  <Item Name> (618)
Caffeic acid

>  <Catalog Number> (618)
S2277

>  <Synonyms> (618)
N/A

>  <Target> (618)
Others

>  <Form> (618)
Free Base

>  <URL> (618)
http://www.selleckchem.com/products/Caffeic-acid.html

>  <CAS Number> (618)
331-39-5

$$$$
Chlorogenic acid.cdx
csChFnd80/10101813032D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (619)
619

>  <Formula> (619)
C16H18O9

>  <MolWeight> (619)
354.30872

>  <Item Name> (619)
Chlorogenic acid

>  <Catalog Number> (619)
S2280

>  <Synonyms> (619)
N/A

>  <Target> (619)
Others

>  <Form> (619)
Free Base

>  <URL> (619)
http://www.selleckchem.com/products/Chlorogenic-acid.html

>  <CAS Number> (619)
327-97-9

$$$$
Chrysin.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10  4  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  2  0  0  0  0
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M  END
>  <Mol_ID> (620)
620

>  <Formula> (620)
C15H10O4

>  <MolWeight> (620)
254.2375

>  <Item Name> (620)
Chrysin

>  <Catalog Number> (620)
S2281

>  <Synonyms> (620)
N/A

>  <Target> (620)
Others

>  <Form> (620)
Free Base

>  <URL> (620)
http://www.selleckchem.com/products/Chrysin.html

>  <CAS Number> (620)
480-40-0

$$$$
Cinchonidine.cdx
csChFnd80/10101813032D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
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 17 16  1  0  0  0  0
 13 18  1  0  0  0  0
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 20 21  2  0  0  0  0
 11 22  1  1  0  0  0
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 19 24  1  1  0  0  0
M  END
>  <Mol_ID> (621)
621

>  <Formula> (621)
C19H22N2O

>  <MolWeight> (621)
294.39078

>  <Item Name> (621)
Cinchonidine

>  <Catalog Number> (621)
S2282

>  <Synonyms> (621)
N/A

>  <Target> (621)
Antifection

>  <Form> (621)
Free Base

>  <URL> (621)
http://www.selleckchem.com/products/Cinchonidine.html

>  <CAS Number> (621)
485-71-2

$$$$
Cryptotanshinone.cdx
csChFnd80/10101813032D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  2  0  0  0  0
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  8  9  2  0  0  0  0
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 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 13 21  2  0  0  0  0
 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (622)
622

>  <Formula> (622)
C19H20O3

>  <MolWeight> (622)
296.3603

>  <Item Name> (622)
Cryptotanshinone

>  <Catalog Number> (622)
S2285 

>  <Synonyms> (622)
N/A

>  <Target> (622)
STAT

>  <Form> (622)
Free Base

>  <URL> (622)
http://www.selleckchem.com/products/Cryptotanshinone.html

>  <CAS Number> (622)
35825-57-1

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/10101813032D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.9024    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.2788    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    8.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 23 27  2  0  0  0  0
 13 28  1  0  0  0  0
M  END
>  <Mol_ID> (623)
623

>  <Formula> (623)
C20H25ClN2O5

>  <MolWeight> (623)
408.8759

>  <Item Name> (623)
Amlodipine (Norvasc)

>  <Catalog Number> (623)
S1905

>  <Synonyms> (623)
Istin, Norvasc, Caduet

>  <Target> (623)
Calcium Channel

>  <Form> (623)
Free Base

>  <URL> (623)
http://www.selleckchem.com/products/Amlodipine(Norvasc).html

>  <CAS Number> (623)
88150-42-9

$$$$
Cyclosporin A.cdx
csChFnd80/10101813032D

 85 85  0  0  0  0  0  0  0  0999 V2000
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   12.1370    2.8049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3494    2.1049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    2.1049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   18.1992    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4116    2.8049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6415    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6241    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9867    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7065    5.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1992    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6241    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8365    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.8165    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9837   11.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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 10  5  1  0  0  0  0
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 12 13  1  0  0  0  0
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 14  9  1  0  0  0  0
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 18 19  1  0  0  0  0
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 22 23  1  0  0  0  0
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 24 20  1  0  0  0  0
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 27 28  2  0  0  0  0
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 26 30  1  0  0  0  0
 25 31  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
  6 35  1  1  0  0  0
  1 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 10 40  1  0  0  0  0
 17 41  1  0  0  0  0
 41 42  1  6  0  0  0
 14 43  2  0  0  0  0
 41 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 24 49  2  0  0  0  0
 23 50  1  0  0  0  0
 29 51  1  0  0  0  0
 51 52  1  0  0  0  0
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 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 29 64  1  6  0  0  0
 56 65  1  6  0  0  0
 53 66  1  1  0  0  0
 59 67  1  1  0  0  0
 62 68  1  1  0  0  0
 52 69  2  0  0  0  0
 55 70  2  0  0  0  0
 65 71  1  0  0  0  0
 71 72  1  0  0  0  0
 57 73  1  0  0  0  0
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 67 75  1  0  0  0  0
 67 76  1  0  0  0  0
 71 77  1  0  0  0  0
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 68 79  1  0  0  0  0
 79 80  1  0  0  0  0
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 82 22  1  0  0  0  0
 82 83  2  0  0  0  0
 63 84  1  0  0  0  0
 44 85  1  1  0  0  0
M  END
>  <Mol_ID> (624)
624

>  <Formula> (624)
C62H111N11O12

>  <MolWeight> (624)
1202.61124

>  <Item Name> (624)
Cyclosporin A

>  <Catalog Number> (624)
S2286

>  <Synonyms> (624)
Cyclosporine A

>  <Target> (624)
phosphatase

>  <Form> (624)
Free Base

>  <URL> (624)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

>  <CAS Number> (624)
59865-13-3

$$$$
Cytisine.cdx
csChFnd80/10101813032D

 14 16  0  0  0  0  0  0  0  0999 V2000
    3.3799    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3799    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8048    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8048    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899    4.4851    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9899    4.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    1.1052    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3899    1.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4048    2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  2  1  0  0  0  0
  3 13  2  0  0  0  0
  7 14  1  1  0  0  0
 11 14  1  1  0  0  0
M  END
>  <Mol_ID> (625)
625

>  <Formula> (625)
C11H14N2O

>  <MolWeight> (625)
190.24166

>  <Item Name> (625)
Cytisine

>  <Catalog Number> (625)
S2287

>  <Synonyms> (625)
Baphitoxine,Sophorine

>  <Target> (625)
AChR

>  <Form> (625)
Free Base

>  <URL> (625)
http://www.selleckchem.com/products/Cytisine(Baphitoxine,-Sophorine).html

>  <CAS Number> (625)
485-35-8 

$$$$
dihydroartemisinin.cdx
csChFnd80/10101813032D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8843    3.6338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4918    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8843    6.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5194    6.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    2.5052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    5.1851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2793    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  5  1  0  0  0  0
  6 15  1  1  0  0  0
  5 16  1  1  0  0  0
 12 17  1  1  0  0  0
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  3 19  1  1  0  0  0
  7 20  1  6  0  0  0
 10 21  1  6  0  0  0
  4 22  1  1  0  0  0
 12 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (626)
626

>  <Formula> (626)
C15H24O5

>  <MolWeight> (626)
284.34806

>  <Item Name> (626)
Dihydroartemisinin (DHA)

>  <Catalog Number> (626)
S2290

>  <Synonyms> (626)
N/A 

>  <Target> (626)
Others

>  <Form> (626)
Free Base

>  <URL> (626)
http://www.selleckchem.com/products/Dihydroartemisinin(DHA).html

>  <CAS Number> (626)
71939-50-9

$$$$
DL-Carnitine hydrochloride.cdx
csChFnd80/10101813032D

 12 10  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.9313    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6331    4.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.9313    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2578    2.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0797    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (627)
627

>  <Formula> (627)
C7H16ClNO3

>  <MolWeight> (627)
197.65984

>  <Item Name> (627)
DL-Carnitine hydrochloride

>  <Catalog Number> (627)
S2293

>  <Synonyms> (627)
N/A

>  <Target> (627)
Others

>  <Form> (627)
Hydrochloride

>  <URL> (627)
http://www.selleckchem.com/products/DL-Carnitine-hydrochloride.html

>  <CAS Number> (627)
461-05-2

$$$$
Emodin.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  5  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
  6 17  2  0  0  0  0
  3 18  2  0  0  0  0
 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (628)
628

>  <Formula> (628)
C15H10O5

>  <MolWeight> (628)
270.2369

>  <Item Name> (628)
Emodin

>  <Catalog Number> (628)
S2295

>  <Synonyms> (628)
N/A

>  <Target> (628)
Dehydrogenase

>  <Form> (628)
Free Base

>  <URL> (628)
http://www.selleckchem.com/products/Emodin.html

>  <CAS Number> (628)
518-82-1

$$$$
Enoxolone.cdx
csChFnd80/10101813032D

 38 42  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2183    3.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7053    9.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6852    9.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8977    8.6851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  2 23  1  1  0  0  0
  3 24  1  0  0  0  0
  5 25  1  1  0  0  0
  9 26  1  1  0  0  0
 18 27  1  1  0  0  0
 17 28  1  1  0  0  0
  2 29  1  6  0  0  0
  3 30  1  0  0  0  0
  4 31  1  6  0  0  0
 10 32  1  6  0  0  0
 11 33  1  6  0  0  0
 21 34  1  6  0  0  0
 21 35  1  1  0  0  0
 14 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 38  2  0  0  0  0
M  END
>  <Mol_ID> (629)
629

>  <Formula> (629)
C30H46O4

>  <MolWeight> (629)
470.68384

>  <Item Name> (629)
Enoxolone (Glycyrrhetin)

>  <Catalog Number> (629)
S2296

>  <Synonyms> (629)
Glycyrrhetin, Uralenic acid 

>  <Target> (629)
Dehydrogenase

>  <Form> (629)
Free Base

>  <URL> (629)
http://www.selleckchem.com/products/Enoxolone(Glycyrrhetin).html

>  <CAS Number> (629)
471-53-4

$$$$
10-Hydroxycamptothecin.cdx
csChFnd80/10101813032D

 27 31  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6047    1.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1741    2.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3512    3.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5664    2.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3130    5.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9206    5.2369    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8804    6.6578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5683    5.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2073    6.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9206    6.6369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
  2 22  1  0  0  0  0
 14 23  2  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 27  1  6  0  0  0
M  END
>  <Mol_ID> (630)
630

>  <Formula> (630)
C20H16N2O5

>  <MolWeight> (630)
364.35144

>  <Item Name> (630)
10-Hydroxycamptothecin

>  <Catalog Number> (630)
S2423 

>  <Synonyms> (630)
N/A 

>  <Target> (630)
Topoisomerase

>  <Form> (630)
Free Base

>  <URL> (630)
http://www.selleckchem.com/products/10-hydroxycamptothecin.html

>  <CAS Number> (630)
19685-09-7

$$$$
Fisetin.cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (631)
631

>  <Formula> (631)
C15H10O6

>  <MolWeight> (631)
286.2363

>  <Item Name> (631)
Fisetin (Fustel)

>  <Catalog Number> (631)
S2298

>  <Synonyms> (631)
Fustel, Viset

>  <Target> (631)
Sirtuin

>  <Form> (631)
Free Base

>  <URL> (631)
http://www.selleckchem.com/products/Fisetin(Fustel).html

>  <CAS Number> (631)
528-48-3

$$$$
Formononetin.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (632)
632

>  <Formula> (632)
C16H12O4

>  <MolWeight> (632)
268.26408

>  <Item Name> (632)
Formononetin (Formononetol)

>  <Catalog Number> (632)
S2299

>  <Synonyms> (632)
Biochanin B, Formononetol 

>  <Target> (632)
Others

>  <Form> (632)
Free Base

>  <URL> (632)
http://www.selleckchem.com/products/Formononetin(Formononetol).html

>  <CAS Number> (632)
485-72-3

$$$$
Fumalic acid.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (633)
633

>  <Formula> (633)
C10H10O4

>  <MolWeight> (633)
194.184

>  <Item Name> (633)
Fumalic acid (Ferulic acid)

>  <Catalog Number> (633)
S2300

>  <Synonyms> (633)
Ferulic acid

>  <Target> (633)
Others

>  <Form> (633)
Free Base

>  <URL> (633)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

>  <CAS Number> (633)
1135-24-6

$$$$
Glycyrrhizic acid.cdx
csChFnd80/10101813032D

 61 67  0  0  0  0  0  0  0  0999 V2000
    9.6869    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (634)
634

>  <Formula> (634)
C42H62O16

>  <MolWeight> (634)
822.93208

>  <Item Name> (634)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Catalog Number> (634)
S2302

>  <Synonyms> (634)
N/A

>  <Target> (634)
Others

>  <Form> (634)
Free Base

>  <URL> (634)
http://www.selleckchem.com/products/Glycyrrhizic-acid.html

>  <CAS Number> (634)
1405-86-3

$$$$
Gramine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (635)
635

>  <Formula> (635)
C11H14N2

>  <MolWeight> (635)
174.24226

>  <Item Name> (635)
Gramine

>  <Catalog Number> (635)
S2304

>  <Synonyms> (635)
N/A

>  <Target> (635)
Others

>  <Form> (635)
Free Base

>  <URL> (635)
http://www.selleckchem.com/products/Gramine.html

>  <CAS Number> (635)
87-52-5

$$$$

csChFnd80/10101813032D

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M  END
>  <Mol_ID> (636)
636

>  <Formula> (636)
C47H80O17

>  <MolWeight> (636)
917.1279

>  <Item Name> (636)
Gynostemma Extract

>  <Catalog Number> (636)
S2306

>  <Synonyms> (636)
N/A

>  <Target> (636)
Others

>  <Form> (636)
Free Base

>  <URL> (636)
http://www.selleckchem.com/products/Gynostemma-Extract.html

>  <CAS Number> (636)
80321-63-7 

$$$$
Rotundine.cdx
csChFnd80/10101813032D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 23 26  1  0  0  0  0
  9 27  1  6  0  0  0
M  END
>  <Mol_ID> (637)
637

>  <Formula> (637)
C21H25NO4

>  <MolWeight> (637)
355.4275

>  <Item Name> (637)
Rotundine

>  <Catalog Number> (637)
S2437

>  <Synonyms> (637)
N/A 

>  <Target> (637)
Dopamine Receptor

>  <Form> (637)
Free Base

>  <URL> (637)
http://www.selleckchem.com/products/rotundine.html

>  <CAS Number> (637)
483-14-7

$$$$
Tolbutamide.cdx
csChFnd80/10101813032D

 18 18  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
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  1  7  1  0  0  0  0
  4 11  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
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 12 14  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (638)
638

>  <Formula> (638)
C12H18N2O3S

>  <MolWeight> (638)
270.34792

>  <Item Name> (638)
Tolbutamide

>  <Catalog Number> (638)
S2443 

>  <Synonyms> (638)
N/A 

>  <Target> (638)
Potassium Channel 

>  <Form> (638)
Free Base

>  <URL> (638)
http://www.selleckchem.com/products/tolbutamide.html

>  <CAS Number> (638)
64-77-7

$$$$
Hesperetin.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (639)
639

>  <Formula> (639)
C16H14O6

>  <MolWeight> (639)
302.27876

>  <Item Name> (639)
Hesperetin

>  <Catalog Number> (639)
S2308

>  <Synonyms> (639)
N/A

>  <Target> (639)
Histamine Receptor

>  <Form> (639)
Free Base

>  <URL> (639)
http://www.selleckchem.com/products/Hesperetin.html

>  <CAS Number> (639)
520-33-2

$$$$
Hesperidin.cdx
csChFnd80/10101813032D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (640)
640

>  <Formula> (640)
C28H34O15

>  <MolWeight> (640)
610.56056

>  <Item Name> (640)
Hesperidin

>  <Catalog Number> (640)
S2309

>  <Synonyms> (640)
N/A

>  <Target> (640)
NULL

>  <Form> (640)
Free Base

>  <URL> (640)
http://www.selleckchem.com/products/Hesperidin.html

>  <CAS Number> (640)
520-26-3

$$$$
Honokiol.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (641)
641

>  <Formula> (641)
C18H18O2

>  <MolWeight> (641)
266.33432

>  <Item Name> (641)
Honokiol

>  <Catalog Number> (641)
S2310

>  <Synonyms> (641)
N/A

>  <Target> (641)
Akt, MEK

>  <Form> (641)
Free Base

>  <URL> (641)
http://www.selleckchem.com/products/Honokiol.html

>  <CAS Number> (641)
35354-74-6

$$$$
Hyodeoxycholic acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (642)
642

>  <Formula> (642)
C24H40O4

>  <MolWeight> (642)
392.572

>  <Item Name> (642)
Hyodeoxycholic acid (HDCA)

>  <Catalog Number> (642)
S2311

>  <Synonyms> (642)
3¦Á,6¦Á-Dihydroxy-5¦Â-cholan-24-oic acid, HDCA 

>  <Target> (642)
Others

>  <Form> (642)
Free Base

>  <URL> (642)
http://www.selleckchem.com/products/Hyodeoxycholic-acid(HDCA).html

>  <CAS Number> (642)
83-49-8

$$$$
Icariin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (643)
643

>  <Formula> (643)
C33H40O15

>  <MolWeight> (643)
676.6617

>  <Item Name> (643)
Icariin

>  <Catalog Number> (643)
S2312

>  <Synonyms> (643)
N/A

>  <Target> (643)
PDE

>  <Form> (643)
Free Base

>  <URL> (643)
http://www.selleckchem.com/products/Icariin.html

>  <CAS Number> (643)
489-32-7

$$$$
Indole-3-carbinol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (644)
644

>  <Formula> (644)
C9H9NO

>  <MolWeight> (644)
147.17386

>  <Item Name> (644)
Indole-3-carbinol

>  <Catalog Number> (644)
S2313

>  <Synonyms> (644)
N/A

>  <Target> (644)
NF-¦ÊB

>  <Form> (644)
Free Base

>  <URL> (644)
http://www.selleckchem.com/products/Indole-3-carbinol.html

>  <CAS Number> (644)
700-06-1

$$$$
Kaempferol.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (645)
645

>  <Formula> (645)
C15H10O6

>  <MolWeight> (645)
286.2363

>  <Item Name> (645)
Kaempferol

>  <Catalog Number> (645)
S2314

>  <Synonyms> (645)
N/A

>  <Target> (645)
Estrogen/progestogen Receptor modulator

>  <Form> (645)
Free Base

>  <URL> (645)
http://www.selleckchem.com/products/Kaempferol.html

>  <CAS Number> (645)
520-18-3

$$$$
Kinetin.cdx
csChFnd80/10101813032D

 16 18  0  0  0  0  0  0  0  0999 V2000
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    7.1180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    7.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (646)
646

>  <Formula> (646)
C10H9N5O

>  <MolWeight> (646)
215.21136

>  <Item Name> (646)
Kinetin (6-Furfuryladenine)

>  <Catalog Number> (646)
S2316

>  <Synonyms> (646)
6-Furfuryladenine, N6-Furfuryladenine, 6-Furfurylaminopurine,Cytokinin 

>  <Target> (646)
Others

>  <Form> (646)
Free Base

>  <URL> (646)
http://www.selleckchem.com/products/Kinetin(6-Furfuryladenine).html

>  <CAS Number> (646)
525-79-1

$$$$
L(+)-Rhamnose Monohydrate.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.3951    2.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.4951    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.3976    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4472    0.5977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  6  0  0  0
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  2  9  1  6  0  0  0
  1 10  1  1  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (647)
647

>  <Formula> (647)
C6H14O6

>  <MolWeight> (647)
182.17176

>  <Item Name> (647)
L (+)-Rhamnose Monohydrate

>  <Catalog Number> (647)
S2317

>  <Synonyms> (647)
N/A

>  <Target> (647)
Others

>  <Form> (647)
Monohydrate

>  <URL> (647)
http://www.selleckchem.com/products/L(+)-Rhamnose-Monohydrate.html

>  <CAS Number> (647)
10030-85-0 

$$$$
Limonin.cdx
csChFnd80/10101813032D

 37 43  0  0  0  0  0  0  0  0999 V2000
    8.7460    3.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3211    5.2849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3211    3.8849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.1086    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8962    5.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8962    3.8849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1086    3.1849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6838    3.1849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.3211    2.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 11 21  1  1  0  0  0
 20 21  1  0  0  0  0
 10 22  1  1  0  0  0
  5 23  1  1  0  0  0
  6 23  1  1  0  0  0
  1 24  2  0  0  0  0
 14 25  2  0  0  0  0
 12 26  1  6  0  0  0
  9 27  1  6  0  0  0
  4 28  1  6  0  0  0
  3 29  1  6  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 29  1  0  0  0  0
 15 34  1  6  0  0  0
 19 35  2  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
M  END
>  <Mol_ID> (648)
648

>  <Formula> (648)
C26H30O8

>  <MolWeight> (648)
470.5116

>  <Item Name> (648)
Limonin

>  <Catalog Number> (648)
S2319

>  <Synonyms> (648)
N/A

>  <Target> (648)
Others

>  <Form> (648)
Free Base

>  <URL> (648)
http://www.selleckchem.com/products/Limonin.html

>  <CAS Number> (648)
1180-71-8

$$$$
Luteolin.cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (649)
649

>  <Formula> (649)
C15H10O6

>  <MolWeight> (649)
286.2363

>  <Item Name> (649)
Luteolin

>  <Catalog Number> (649)
S2320

>  <Synonyms> (649)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (649)
PDE

>  <Form> (649)
Free Base

>  <URL> (649)
http://www.selleckchem.com/products/Luteolin(Luteolol).html

>  <CAS Number> (649)
491-70-3 

$$$$
Magnolol.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
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 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (650)
650

>  <Formula> (650)
C18H18O2

>  <MolWeight> (650)
266.33432

>  <Item Name> (650)
Magnolol

>  <Catalog Number> (650)
S2321

>  <Synonyms> (650)
2,2'-Bichavicol

>  <Target> (650)
NF-¦ÊB

>  <Form> (650)
Free Base

>  <URL> (650)
http://www.selleckchem.com/products/Magnolol(2,2-Bichavicol).html

>  <CAS Number> (650)
528-43-8

$$$$
matrine.cdx
csChFnd80/10101813032D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
  6 19  1  6  0  0  0
 10 20  1  6  0  0  0
 11 21  1  1  0  0  0
  5 22  1  6  0  0  0
M  END
>  <Mol_ID> (651)
651

>  <Formula> (651)
C15H24N2O

>  <MolWeight> (651)
248.36386

>  <Item Name> (651)
Matrine ((+)-Matrine)

>  <Catalog Number> (651)
S2322

>  <Synonyms> (651)
(+)-Matrine

>  <Target> (651)
Opioid Receptor

>  <Form> (651)
Free Base

>  <URL> (651)
http://www.selleckchem.com/products/Matrine((+)-Matrine).html

>  <CAS Number> (651)
519-02-8 

$$$$
Morin.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.9819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.9819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.3795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1659    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (652)
652

>  <Formula> (652)
C15H12O8

>  <MolWeight> (652)
320.25098

>  <Item Name> (652)
Morin hydrate (Aurantica)

>  <Catalog Number> (652)
S2325

>  <Synonyms> (652)
N/A

>  <Target> (652)
Others

>  <Form> (652)
Hydrate

>  <URL> (652)
http://www.selleckchem.com/products/Morin-hydrate(Aurantica).html

>  <CAS Number> (652)
6202-27-3

$$$$
Myricetin.cdx
csChFnd80/10101813032D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (653)
653

>  <Formula> (653)
C15H10O8

>  <MolWeight> (653)
318.2351

>  <Item Name> (653)
Myricetin (Cannabiscetin)

>  <Catalog Number> (653)
S2326

>  <Synonyms> (653)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (653)
NULL

>  <Form> (653)
Free Base

>  <URL> (653)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

>  <CAS Number> (653)
529-44-2

$$$$
Myricitrin.cdx
csChFnd80/10101813032D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (654)
654

>  <Formula> (654)
C21H20O12

>  <MolWeight> (654)
464.3763

>  <Item Name> (654)
Myricitrin (Myricitrine)

>  <Catalog Number> (654)
S2327

>  <Synonyms> (654)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (654)
PKC

>  <Form> (654)
Free Base

>  <URL> (654)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

>  <CAS Number> (654)
17912-87-7

$$$$
Nalidixic acid.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (655)
655

>  <Formula> (655)
C12H12N2O3

>  <MolWeight> (655)
232.23528

>  <Item Name> (655)
Nalidixic acid (NegGram)

>  <Catalog Number> (655)
S2328

>  <Synonyms> (655)
NegGram, Nevigramon, Nalidixin, Uronidix 

>  <Target> (655)
Topoisomerase

>  <Form> (655)
Free Base

>  <URL> (655)
http://www.selleckchem.com/products/Nalidixic-acid(NegGram).html

>  <CAS Number> (655)
389-08-2

$$$$
Naringin.cdx
csChFnd80/10101813032D

 41 45  0  0  0  0  0  0  0  0999 V2000
    6.1009    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1009    7.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134    7.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5258    7.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5258    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134   10.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382    7.2680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9507    7.9680    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9507    9.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382   10.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1589    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382   11.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1589    5.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3713    5.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5838    5.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5838    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3713    7.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134   11.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7920    5.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    7.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    6.0580    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7927    6.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    4.8455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7927    3.6331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8927    4.8455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8927    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2927    4.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3927    1.2082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0927    2.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3927    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6976    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    4.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  1  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  6 18  1  0  0  0  0
 15 19  1  0  0  0  0
  2 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 26 30  1  6  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
 23 35  1  1  0  0  0
 32 36  1  1  0  0  0
 31 37  1  6  0  0  0
 34 38  1  6  0  0  0
 33 39  1  6  0  0  0
 24 40  1  6  0  0  0
 35 41  1  0  0  0  0
M  END
>  <Mol_ID> (656)
656

>  <Formula> (656)
C27H32O14

>  <MolWeight> (656)
580.53458

>  <Item Name> (656)
Naringin (Naringoside)

>  <Catalog Number> (656)
S2329

>  <Synonyms> (656)
Naringoside, Naringenine-7-rhamnosidoglucoside 

>  <Target> (656)
P450 (e.g. CYP17)

>  <Form> (656)
Free Base

>  <URL> (656)
http://www.selleckchem.com/products/Naringin(Naringoside).html

>  <CAS Number> (656)
10236-47-2 

$$$$
Neohesperidin dihydrochalcone.cdx
csChFnd80/10101813032D

 43 46  0  0  0  0  0  0  0  0999 V2000
    8.4828    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1823    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1823    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    7.6951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   10.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3906    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6030    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19  2  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 23 27  1  6  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 20 32  1  1  0  0  0
 22 33  1  1  0  0  0
 28 34  1  1  0  0  0
 30 35  1  1  0  0  0
 21 36  1  6  0  0  0
 29 37  1  6  0  0  0
 32 38  1  0  0  0  0
  6 39  1  0  0  0  0
  9 40  2  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
>  <Mol_ID> (657)
657

>  <Formula> (657)
C28H36O15

>  <MolWeight> (657)
612.57644

>  <Item Name> (657)
Neohesperidin dihydrochalcone (Nhdc)

>  <Catalog Number> (657)
S2331

>  <Synonyms> (657)
Nhdc, Neohesperidin dc, Neohesperidin dhc 

>  <Target> (657)
Others

>  <Form> (657)
Free Base

>  <URL> (657)
http://www.selleckchem.com/products/Neohesperidin-dihydrochalcone(Nhdc).html

>  <CAS Number> (657)
20702-77-6 

$$$$
Nobiletin.cdx
csChFnd80/10101813032D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 18  2  0  0  0  0
 12 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (658)
658

>  <Formula> (658)
C21H22O8

>  <MolWeight> (658)
402.39458

>  <Item Name> (658)
Nobiletin (Hexamethoxyflavone)

>  <Catalog Number> (658)
S2333

>  <Synonyms> (658)
N/A 

>  <Target> (658)
MMP

>  <Form> (658)
Free Base

>  <URL> (658)
http://www.selleckchem.com/products/Nobiletin(Hexamethoxyflavone).html

>  <CAS Number> (658)
478-01-3

$$$$
Oleanolic Acid.cdx
csChFnd80/10101813032D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.0124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.4124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4828    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.4828    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9953    9.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3953    9.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    5.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.0197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 19 27  1  1  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  2 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
  4 34  1  6  0  0  0
 10 35  1  6  0  0  0
 11 36  1  6  0  0  0
M  END
>  <Mol_ID> (659)
659

>  <Formula> (659)
C30H48O3

>  <MolWeight> (659)
456.70032

>  <Item Name> (659)
Oleanolic Acid (Caryophyllin)

>  <Catalog Number> (659)
S2334

>  <Synonyms> (659)
Caryophyllin, Astrantiagenin C, Giganteumgenin C, Virgaureagenin B 

>  <Target> (659)
Antifection

>  <Form> (659)
Free Base

>  <URL> (659)
http://www.selleckchem.com/products/Oleanolic-Acid(Caryophyllin).html

>  <CAS Number> (659)
508-02-1

$$$$
Oridonin.cdx
csChFnd80/10101813032D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.5553    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5553    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7677    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5097    5.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1465    5.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    6.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    6.8823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9105    8.4019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4641    6.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1677    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1062    7.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    3.6876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5654    1.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5553    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3429    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8719    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624    7.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    9.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15  9  1  0  0  0  0
  9  7  1  1  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  2  0  0  0  0
 10 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  6  0  0  0
  1 21  1  6  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  5 24  1  1  0  0  0
  6 25  1  1  0  0  0
 25 26  1  0  0  0  0
  7 26  1  1  0  0  0
 12 27  1  6  0  0  0
 13 28  1  6  0  0  0
M  END
>  <Mol_ID> (660)
660

>  <Formula> (660)
C20H28O6

>  <MolWeight> (660)
364.43272

>  <Item Name> (660)
Oridonin (Isodonol)

>  <Catalog Number> (660)
S2335

>  <Synonyms> (660)
Isodonol

>  <Target> (660)
Others

>  <Form> (660)
Free Base

>  <URL> (660)
http://www.selleckchem.com/products/Oridonin(Isodonol).html

>  <CAS Number> (660)
28957-04-2

$$$$
OROTIC ACID.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  4  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (661)
661

>  <Formula> (661)
C5H4N2O4

>  <MolWeight> (661)
156.09626

>  <Item Name> (661)
Orotic acid (6-Carboxyuracil)

>  <Catalog Number> (661)
S2336

>  <Synonyms> (661)
6-Carboxyuracil, Orodin, Oropur, Orotonin, Orotonsan 

>  <Target> (661)
Others

>  <Form> (661)
Free Base

>  <URL> (661)
http://www.selleckchem.com/products/Orotic-acid(6-Carboxyuracil).html

>  <CAS Number> (661)
65-86-1

$$$$
Osthole.cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  9 18  2  0  0  0  0
M  END
>  <Mol_ID> (662)
662

>  <Formula> (662)
C15H16O3

>  <MolWeight> (662)
244.28574

>  <Item Name> (662)
Osthole (Osthol)

>  <Catalog Number> (662)
S2337

>  <Synonyms> (662)
Osthol, Ostole, Ostol

>  <Target> (662)
Others

>  <Form> (662)
Free Base

>  <URL> (662)
http://www.selleckchem.com/products/Osthole(Osthol).html

>  <CAS Number> (662)
484-12-8

$$$$
Oxymatrine.cdx
csChFnd80/10101813032D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 11 19  1  1  0  0  0
  5 20  1  6  0  0  0
 10 21  1  6  0  0  0
  6 22  1  6  0  0  0
  4 23  1  0  0  0  0
M  END
>  <Mol_ID> (663)
663

>  <Formula> (663)
C15H24N2O2

>  <MolWeight> (663)
264.36326

>  <Item Name> (663)
Oxymatrine (Matrine N-oxide)

>  <Catalog Number> (663)
S2338

>  <Synonyms> (663)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (663)
Others

>  <Form> (663)
Free Base

>  <URL> (663)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

>  <CAS Number> (663)
16837-52-8 

$$$$
Paeonol.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (664)
664

>  <Formula> (664)
C9H10O3

>  <MolWeight> (664)
166.1739

>  <Item Name> (664)
Paeonol (Peonol)

>  <Catalog Number> (664)
S2339

>  <Synonyms> (664)
Peonol

>  <Target> (664)
MAO

>  <Form> (664)
Free Base

>  <URL> (664)
http://www.selleckchem.com/products/Paeonol(Peonol).html

>  <CAS Number> (664)
552-41-0 

$$$$
Parthenolide.cdx
csChFnd80/10101813032D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    3.4240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    1.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    2.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  6  0  0  0
 11 12  1  0  0  0  0
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  8 13  1  1  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (665)
665

>  <Formula> (665)
C15H20O3

>  <MolWeight> (665)
248.3175

>  <Item Name> (665)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (665)
S2341

>  <Synonyms> (665)
N/A 

>  <Target> (665)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (665)
Free Base

>  <URL> (665)
http://www.selleckchem.com/products/Parthenolide((-)-Parthenolide).html

>  <CAS Number> (665)
20554-84-1

$$$$
Phloretin.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (666)
666

>  <Formula> (666)
C15H14O5

>  <MolWeight> (666)
274.26866

>  <Item Name> (666)
Phloretin

>  <Catalog Number> (666)
S2342

>  <Synonyms> (666)
Dihydronaringenin

>  <Target> (666)
SGLT

>  <Form> (666)
Free Base

>  <URL> (666)
http://www.selleckchem.com/products/Phloretin(Dihydronaringenin).html

>  <CAS Number> (666)
60-82-2

$$$$
Phlorizin.cdx
csChFnd80/10101813032D

 31 33  0  0  0  0  0  0  0  0999 V2000
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.3326    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13  5  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
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 23 19  1  0  0  0  0
 16 24  1  1  0  0  0
 14 25  1  1  0  0  0
 17 26  1  6  0  0  0
 15 27  1  6  0  0  0
 22 28  1  0  0  0  0
  7 29  2  0  0  0  0
  3 30  1  0  0  0  0
 25 31  1  0  0  0  0
M  END
>  <Mol_ID> (667)
667

>  <Formula> (667)
C21H24O10

>  <MolWeight> (667)
436.40926

>  <Item Name> (667)
Phlorizin (Phloridzin)

>  <Catalog Number> (667)
S2343

>  <Synonyms> (667)
Phlorhizin, Phlorizoside 

>  <Target> (667)
SGLT

>  <Form> (667)
Free Base

>  <URL> (667)
http://www.selleckchem.com/products/Phlorizin(Phloridzin).html

>  <CAS Number> (667)
60-81-1

$$$$
Piperine.cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0310    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    2.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 14 15  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
  7 21  2  0  0  0  0
M  END
>  <Mol_ID> (668)
668

>  <Formula> (668)
C17H19NO3

>  <MolWeight> (668)
285.33766

>  <Item Name> (668)
Piperine (1-Piperoylpiperidine)

>  <Catalog Number> (668)
S2344

>  <Synonyms> (668)
Piperin 

>  <Target> (668)
P450 (e.g. CYP17)

>  <Form> (668)
Free Base

>  <URL> (668)
http://www.selleckchem.com/products/Piperine(1-Piperoylpiperidine).html

>  <CAS Number> (668)
94-62-2 

$$$$
Puerarin.cdx
csChFnd80/10101813032D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.6700    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3892    3.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7890    3.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4697    4.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7504    6.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2702    4.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5896    3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3088    2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1946    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  1  7  1  0  0  0  0
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 10  2  1  0  0  0  0
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 11 15  2  0  0  0  0
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 20 14  1  6  0  0  0
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 23 30  1  6  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (669)
669

>  <Formula> (669)
C21H20O10

>  <MolWeight> (669)
432.3775

>  <Item Name> (669)
Puerarin (Kakonein)

>  <Catalog Number> (669)
S2346

>  <Synonyms> (669)
NPI-31G 

>  <Target> (669)
5-HT Receptor

>  <Form> (669)
Free Base

>  <URL> (669)
http://www.selleckchem.com/products/Puerarin(Kakonein).html

>  <CAS Number> (669)
3681-99-0

$$$$
Quercetin dihydrate.cdx
csChFnd80/10101813032D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (670)
670

>  <Formula> (670)
C15H14O9

>  <MolWeight> (670)
338.26626

>  <Item Name> (670)
Quercetin dihydrate (Sophoretin)

>  <Catalog Number> (670)
S2347

>  <Synonyms> (670)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (670)
Others

>  <Form> (670)
Dihydrate

>  <URL> (670)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

>  <CAS Number> (670)
6151-25-3

$$$$
Rutaecarpine.cdx
csChFnd80/10101813032D

 22 26  0  0  0  0  0  0  0  0999 V2000
    5.6805    4.7484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6805    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    2.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4681    2.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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  4 14  1  0  0  0  0
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 17  5  1  0  0  0  0
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 21 12  1  0  0  0  0
  6 22  2  0  0  0  0
M  END
>  <Mol_ID> (671)
671

>  <Formula> (671)
C18H13N3O

>  <MolWeight> (671)
287.31532

>  <Item Name> (671)
Rutaecarpine (Rutecarpine)

>  <Catalog Number> (671)
S2349

>  <Synonyms> (671)
Rutecarpine, Rutacarpine, Rutaecarpin, Rhetine 

>  <Target> (671)
COX

>  <Form> (671)
Free Base

>  <URL> (671)
http://www.selleckchem.com/products/Rutaecarpine(Rutecarpine).html

>  <CAS Number> (671)
84-26-4

$$$$
Rutin DAB10.cdx
csChFnd80/10101813032D

 43 47  0  0  0  0  0  0  0  0999 V2000
    7.2620    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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 19 18  1  1  0  0  0
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  7 35  1  0  0  0  0
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 14 42  1  6  0  0  0
 16 43  1  6  0  0  0
M  END
>  <Mol_ID> (672)
672

>  <Formula> (672)
C27H30O16

>  <MolWeight> (672)
610.5175

>  <Item Name> (672)
Rutin (Rutoside)

>  <Catalog Number> (672)
S2350

>  <Synonyms> (672)
Quercetin 3-rutinoside, Rutin trihydrate, Phytomelin, Birutan, Sophorin, Venoruton, Eldrin 

>  <Target> (672)
NULL

>  <Form> (672)
Free Base

>  <URL> (672)
http://www.selleckchem.com/products/Rutin(Rutoside).html

>  <CAS Number> (672)
153-18-4

$$$$
Salicin.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3 20  1  1  0  0  0
M  END
>  <Mol_ID> (673)
673

>  <Formula> (673)
C13H18O7

>  <MolWeight> (673)
286.27782

>  <Item Name> (673)
Salicin (Salicoside, Salicine)

>  <Catalog Number> (673)
S2351

>  <Synonyms> (673)
Salicoside, Salicine

>  <Target> (673)
COX

>  <Form> (673)
Free Base

>  <URL> (673)
http://www.selleckchem.com/products/Salicin(Salicoside,-Salicine).html

>  <CAS Number> (673)
138-52-3

$$$$
Sclareol.cdx
csChFnd80/10101813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.3951    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (674)
674

>  <Formula> (674)
C20H36O2

>  <MolWeight> (674)
308.49864

>  <Item Name> (674)
Sclareol

>  <Catalog Number> (674)
S2354

>  <Synonyms> (674)
N/A

>  <Target> (674)
Others

>  <Form> (674)
Free Base

>  <URL> (674)
http://www.selleckchem.com/products/Sclareol.html

>  <CAS Number> (674)
515-03-7

$$$$
Dihydromyricetin.cdx
csChFnd80/10101813032D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (675)
675

>  <Formula> (675)
C15H12O8

>  <MolWeight> (675)
320.25098

>  <Item Name> (675)
Dihydromyricetin (Ampeloptin)

>  <Catalog Number> (675)
S2399

>  <Synonyms> (675)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (675)
Others

>  <Form> (675)
Free Base

>  <URL> (675)
http://www.selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

>  <CAS Number> (675)
27200-12-0

$$$$
Sodium Danshensu.cdx
csChFnd80/10101813032D

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.0160    2.2244    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (676)
676

>  <Formula> (676)
C9H9NaO5

>  <MolWeight> (676)
220.15453

>  <Item Name> (676)
Sodium Danshensu

>  <Catalog Number> (676)
S2401

>  <Synonyms> (676)
N/A

>  <Target> (676)
P450

>  <Form> (676)
Sodium Salt

>  <URL> (676)
http://www.selleckchem.com/products/Sodium-Danshensu.html

>  <CAS Number> (676)
67920-52-9

$$$$
Isoliquiritigenin.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (677)
677

>  <Formula> (677)
C15H12O4

>  <MolWeight> (677)
256.25338

>  <Item Name> (677)
Isoliquiritigenin

>  <Catalog Number> (677)
S2404

>  <Synonyms> (677)
N/A

>  <Target> (677)
Others

>  <Form> (677)
Free Base

>  <URL> (677)
http://www.selleckchem.com/products/Isoliquiritigenin.html

>  <CAS Number> (677)
961-29-5

$$$$
Sophocarpine.cdx
csChFnd80/10101813032D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (678)
678

>  <Formula> (678)
C15H22N2O

>  <MolWeight> (678)
246.34798

>  <Item Name> (678)
Sophocarpine

>  <Catalog Number> (678)
S2405 

>  <Synonyms> (678)
N/A

>  <Target> (678)
Others

>  <Form> (678)
Free Base

>  <URL> (678)
http://www.selleckchem.com/products/Sophocarpine.html

>  <CAS Number> (678)
6483-15-4

$$$$
Chrysophanic acid.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (679)
679

>  <Formula> (679)
C15H10O4

>  <MolWeight> (679)
254.2375

>  <Item Name> (679)
Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (679)
S2406

>  <Synonyms> (679)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (679)
EGFR, mTOR

>  <Form> (679)
Free Base

>  <URL> (679)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (679)
481-74-3

$$$$
Curcumol.cdx
csChFnd80/10101813032D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (680)
680

>  <Formula> (680)
C15H24O2

>  <MolWeight> (680)
236.34986

>  <Item Name> (680)
Curcumol

>  <Catalog Number> (680)
S2407

>  <Synonyms> (680)
N/A

>  <Target> (680)
JAK

>  <Form> (680)
Free Base

>  <URL> (680)
http://www.selleckchem.com/products/Curcumol.html

>  <CAS Number> (680)
4871-97-0

$$$$
Amantadine HCl.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0543    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4006    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    2.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    4.3748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4136    2.3841    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9  8  1  0  0  0  0
  3 10  1  0  0  0  0
 10  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (681)
681

>  <Formula> (681)
C10H18ClN

>  <MolWeight> (681)
187.70962

>  <Item Name> (681)
Amantadine hydrochloride (Symmetrel)

>  <Catalog Number> (681)
S2451

>  <Synonyms> (681)
Symmetrel

>  <Target> (681)
Dopamine Receptor

>  <Form> (681)
Hydrochloride

>  <URL> (681)
selleckchem.com/products/Amantadine-hydrochloride(Symmetrel).html

>  <CAS Number> (681)
665-66-7

$$$$
Amfebutamone HCl.cdx
csChFnd80/10101813032D

 17 16  0  0  0  0  0  0  0  0999 V2000
    6.0496    3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.9642    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.3594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6331    1.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (682)
682

>  <Formula> (682)
C13H19Cl2NO

>  <MolWeight> (682)
276.20206

>  <Item Name> (682)
Amfebutamone (Bupropion) HCl

>  <Catalog Number> (682)
S2452

>  <Synonyms> (682)
Wellbutrin, Zyban, Budeprion

>  <Target> (682)
Dopamine Receptor

>  <Form> (682)
Hydrochloride

>  <URL> (682)
http://www.selleckchem.com/products/Amfebutamone-hydrochloride(Bupropion).html

>  <CAS Number> (682)
31677-93-7

$$$$
Benserazide hydrochloride.cdx
csChFnd80/10101813032D

 19 18  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    6.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.8585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.1585    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9204    4.8585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.2585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5267    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  2  0  0  0  0
M  END
>  <Mol_ID> (683)
683

>  <Formula> (683)
C10H16ClN3O5

>  <MolWeight> (683)
293.70414

>  <Item Name> (683)
Benserazide HCl

>  <Catalog Number> (683)
S2453

>  <Synonyms> (683)
Ro-4-4602

>  <Target> (683)
Dopamine Receptor

>  <Form> (683)
Hydrochloride

>  <URL> (683)
selleckchem.com/products/Benserazide-hydrochloride(Serazide).html

>  <CAS Number> (683)
14919-77-8

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/10101813032D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.7455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (684)
684

>  <Formula> (684)
C18H29ClN2O

>  <MolWeight> (684)
324.88866

>  <Item Name> (684)
Bupivacaine hydrochloride (Marcain)

>  <Catalog Number> (684)
S2454

>  <Synonyms> (684)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (684)
Sodium Channel

>  <Form> (684)
Hydrochloride

>  <URL> (684)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

>  <CAS Number> (684)
18010-40-7

$$$$
Astragaloside A.cdx
csChFnd80/10101813032D

 58 65  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    8.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.9951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    9.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    9.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117   10.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4432    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2661    9.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4432   10.9278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4744    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    9.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3242    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3242    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5324    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   12.2546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6612    9.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058   12.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058   14.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   14.5199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0514   13.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6619   11.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4432   15.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3767   16.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0786   16.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0809   17.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0809    9.5755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5620    5.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9620    5.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  1  0  0  0
  4  8  1  1  0  0  0
  3  9  1  6  0  0  0
  1 10  1  6  0  0  0
 11  8  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 20 28  1  1  0  0  0
 14 28  1  1  0  0  0
 19 29  1  1  0  0  0
 22 30  1  1  0  0  0
 17 31  1  6  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 36 38  1  1  0  0  0
 34 39  1  1  0  0  0
 37 40  1  6  0  0  0
 35 41  1  6  0  0  0
 39 42  1  0  0  0  0
 21 43  1  6  0  0  0
 27 44  1  0  0  0  0
 26 45  1  1  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 44  1  0  0  0  0
 44 50  1  6  0  0  0
 48 51  1  1  0  0  0
 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
 51 54  1  0  0  0  0
 27 55  1  6  0  0  0
 13 56  1  6  0  0  0
 12 57  1  0  0  0  0
 12 58  1  0  0  0  0
M  END
>  <Mol_ID> (685)
685

>  <Formula> (685)
C41H68O14

>  <MolWeight> (685)
784.97022

>  <Item Name> (685)
Astragaloside A

>  <Catalog Number> (685)
S2415

>  <Synonyms> (685)
Cyclosiversioside F

>  <Target> (685)
Calcium Channel

>  <Form> (685)
Free Base

>  <URL> (685)
http://www.selleckchem.com/products/astragaloside-a.html

>  <CAS Number> (685)
83207-58-3

$$$$
Carbamyl-beta-methylcholine chloride.cdx
csChFnd80/10101813032D

 12 10  0  0  0  0  0  0  0  0999 V2000
    1.2167    2.9122    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4333    3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.9146    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8582    3.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.6146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.5146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  3  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (686)
686

>  <Formula> (686)
C7H17ClN2O2

>  <MolWeight> (686)
196.67508

>  <Item Name> (686)
Bethanechol chloride

>  <Catalog Number> (686)
S2455

>  <Synonyms> (686)
N/A 

>  <Target> (686)
AChR

>  <Form> (686)
quaternary-N Chloride salt

>  <URL> (686)
selleckchem.com/products/Carbamyl-beta-methylcholine-chloride(Bethanechol-chloride).html

>  <CAS Number> (686)
590-63-6

$$$$
Chlorpromazine HCl.cdx
csChFnd80/10101813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7452    6.2563    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
>  <Mol_ID> (687)
687

>  <Formula> (687)
C17H20Cl2N2S

>  <MolWeight> (687)
355.3251

>  <Item Name> (687)
Chlorpromazine HCl

>  <Catalog Number> (687)
S2456

>  <Synonyms> (687)
Sonazine

>  <Target> (687)
Dopamine Receptor, Potassium Channel

>  <Form> (687)
Hydrochloride

>  <URL> (687)
http://www.selleckchem.com/products/Chlorpromazine-hydrochloride(Sonazine).html

>  <CAS Number> (687)
69-09-0

$$$$
Clonidine HCl.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.5191    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    2.2243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3571    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1203    4.1861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7333    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (688)
688

>  <Formula> (688)
C9H10Cl3N3

>  <MolWeight> (688)
266.5548

>  <Item Name> (688)
Clonidine hydrochloride (Catapres)

>  <Catalog Number> (688)
S2458

>  <Synonyms> (688)
Catapres

>  <Target> (688)
Adrenergic Receptor

>  <Form> (688)
Hydrochloride

>  <URL> (688)
http://www.selleckchem.com/products/Clonidine-hydrochloride(Catapres).html

>  <CAS Number> (688)
4205-91-8

$$$$
Clozapine.cdx
csChFnd80/10101813032D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.2701    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5315    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701    3.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5577    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8956    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2071    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1808    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1888    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5754    4.6687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9715    4.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5790    6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7903    7.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942    7.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7868    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3957    8.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  3  1  0  0  0  0
  9 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (689)
689

>  <Formula> (689)
C18H19ClN4

>  <MolWeight> (689)
326.82326

>  <Item Name> (689)
Clozapine (Clozaril)

>  <Catalog Number> (689)
S2459

>  <Synonyms> (689)
Leponex, Fazaclo

>  <Target> (689)
5-HT Receptor

>  <Form> (689)
Free Base

>  <URL> (689)
http://www.selleckchem.com/products/Clozapine(Clozaril).html

>  <CAS Number> (689)
5786-21-0

$$$$
S3942 Cardamonin.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 13  9  2  3  0  0  0
M  CFW  20 B_NG_STER 3
M  END
>  <Mol_ID> (690)
690

>  <Formula> (690)
C16H14O4

>  <MolWeight> (690)
270.27996

>  <Item Name> (690)
Cardamonin

>  <Catalog Number> (690)
S3942

>  <Synonyms> (690)
Alpinetin chalcone

>  <Target> (690)
Calcium Channel

>  <Form> (690)
free base

>  <URL> (690)
http://selleckchem.com/products/cardamonin.html

>  <CAS Number> (690)
18956-16-6

$$$$
Dehydroepiandrosterone.cdx
csChFnd80/10101813032D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9642    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  1  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  2  0  0  0  0
 10 23  1  6  0  0  0
 11 24  1  6  0  0  0
M  END
>  <Mol_ID> (691)
691

>  <Formula> (691)
C19H28O2

>  <MolWeight> (691)
288.42442

>  <Item Name> (691)
Dehydroepiandrosterone (DHEA)

>  <Catalog Number> (691)
S2604

>  <Synonyms> (691)
DHEA

>  <Target> (691)
Androgen Receptor

>  <Form> (691)
Free Base

>  <URL> (691)
http://www.selleckchem.com/products/Dehydroepiandrosterone(DHEA).html

>  <CAS Number> (691)
53-43-0

$$$$
Domperidone.cdx
csChFnd80/10101813032D

 30 34  0  0  0  0  0  0  0  0999 V2000
    5.2260    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4384    2.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6467    1.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    2.1944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    2.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    3.8754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2798    2.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2798    3.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    4.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    3.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4880    4.2920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7670    3.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7037    4.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0037    5.9754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6343    5.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1996    2.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5690    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5058    3.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0731    4.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9082    4.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5975    6.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8704    2.8503    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18  4  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 21  1  0  0  0  0
  6 28  2  0  0  0  0
 23 29  2  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (692)
692

>  <Formula> (692)
C22H24ClN5O2

>  <MolWeight> (692)
425.91126

>  <Item Name> (692)
Domperidone (Motilium)

>  <Catalog Number> (692)
S2461

>  <Synonyms> (692)
Motilium, Motillium, Motinorm, Costi 

>  <Target> (692)
Dopamine Receptor

>  <Form> (692)
Free Base

>  <URL> (692)
http://www.selleckchem.com/products/Domperidone(Motilium).html

>  <CAS Number> (692)
57808-66-9

$$$$
Estriol.cdx
csChFnd80/10101813032D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (693)
693

>  <Formula> (693)
C18H24O3

>  <MolWeight> (693)
288.38136

>  <Item Name> (693)
Estriol

>  <Catalog Number> (693)
S2466

>  <Synonyms> (693)
Oestriol

>  <Target> (693)
Estrogen/progestogen Receptor

>  <Form> (693)
Free Base

>  <URL> (693)
http://www.selleckchem.com/products/Estriol(Oestriol).html

>  <CAS Number> (693)
50-27-1

$$$$
Famciclovir.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.5253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    7.6927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    8.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    9.9580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7521    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7521    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1728    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1728    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3357    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3357    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1275    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (694)
694

>  <Formula> (694)
C14H19N5O4

>  <MolWeight> (694)
321.33176

>  <Item Name> (694)
Famciclovir (Famvir)

>  <Catalog Number> (694)
S2467

>  <Synonyms> (694)
Famvir

>  <Target> (694)
Antifection

>  <Form> (694)
Free Base

>  <URL> (694)
http://www.selleckchem.com/products/Famciclovir(Famvir).html

>  <CAS Number> (694)
104227-87-4

$$$$
Fenbendazole.cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    0.2698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.5351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    1.4024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5199    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8224    3.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9151    2.6149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5199    5.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (695)
695

>  <Formula> (695)
C15H13N3O2S

>  <MolWeight> (695)
299.34762

>  <Item Name> (695)
Fenbendazole (Panacur)

>  <Catalog Number> (695)
S2468

>  <Synonyms> (695)
 Panacur, Safe-Guard

>  <Target> (695)
Antifection

>  <Form> (695)
Free Base

>  <URL> (695)
http://www.selleckchem.com/products/Fenbendazole(Panacur).html

>  <CAS Number> (695)
43210-67-9

$$$$
Gallamine triethiodide.cdx
csChFnd80/10101813032D

 39 36  0  0  0  0  0  0  0  0999 V2000
    8.1209    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1209    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    5.4201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    6.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    7.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7540    8.2129    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.7540    4.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9622    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1705    4.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3787    3.3250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.9127    4.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4962    4.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880    3.3250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.9664    8.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5911    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6787    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0787    4.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4310    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9535    1.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3264    1.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0756    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    4.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9880    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6257    0.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7233    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    5.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4924    4.7392    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    8.0924    4.7392    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    8.7924    3.3392    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 33 34  1  0  0  0  0
 31 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (696)
696

>  <Formula> (696)
C30H60I3N3O3

>  <MolWeight> (696)
891.52911

>  <Item Name> (696)
Gallamine triethiodide (Flaxedil)

>  <Catalog Number> (696)
S2471

>  <Synonyms> (696)
Flaxedil

>  <Target> (696)
AChR

>  <Form> (696)
tri-quaternary-N iodide salt

>  <URL> (696)
http://www.selleckchem.com/products/Gallamine-triethiodide(Flaxedil).html

>  <CAS Number> (696)
65-29-2

$$$$
Hexestrol.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  8  3  1  1  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
  9 14  1  6  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (697)
697

>  <Formula> (697)
C18H22O2

>  <MolWeight> (697)
270.36608

>  <Item Name> (697)
Hexestrol (Bibenzyl)

>  <Catalog Number> (697)
S2473

>  <Synonyms> (697)
Bibenzyl, Cycloestrol, Dihydro-stilbestro, Dihydrostilbestrol, Estra-Plex 

>  <Target> (697)
Estrogen/progestogen Receptor

>  <Form> (697)
Free Base

>  <URL> (697)
http://www.selleckchem.com/products/Hexestrol(Bibenzyl).html

>  <CAS Number> (697)
84-16-2

$$$$
Imatinib.cdx
csChFnd80/10101813032D

 37 41  0  0  0  0  0  0  0  0999 V2000
    4.8371   10.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  9  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (698)
698

>  <Formula> (698)
C29H31N7O

>  <MolWeight> (698)
493.60274

>  <Item Name> (698)
Imatinib (STI571) 

>  <Catalog Number> (698)
S2475 

>  <Synonyms> (698)
STI571, Glivec

>  <Form> (698)
Free Base

>  <URL> (698)
http://www.selleckchem.com/products/Imatinib(STI571).html

>  <CAS Number> (698)
152459-95-5

$$$$
Lincomycin  HCl.cdx
csChFnd80/10101813032D

 29 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.8417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.4417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.7417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.4417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    6.9417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    7.6417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0571   10.2078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3571   11.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877   11.1291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9509   12.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446   10.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646   11.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6521   11.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7118    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  6  0  0  0
  7 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  1  1  0  0  0
  3 24  1  6  0  0  0
  4 25  1  6  0  0  0
 25 26  1  0  0  0  0
  8 27  1  1  0  0  0
  6 28  1  6  0  0  0
M  END
>  <Mol_ID> (699)
699

>  <Formula> (699)
C18H35ClN2O6S

>  <MolWeight> (699)
442.9983

>  <Item Name> (699)
Lincomycin hydrochloride (Lincocin)

>  <Catalog Number> (699)
S2479

>  <Synonyms> (699)
Lincocin

>  <Target> (699)
Antifection

>  <Form> (699)
Hydrochloride

>  <URL> (699)
http://www.selleckchem.com/products/Lincomycin-hydrochloride(Lincocin).html

>  <CAS Number> (699)
859-18-7

$$$$
Loperamide HCl.cdx
csChFnd80/10101813032D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1033    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8850    5.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2273    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (700)
700

>  <Formula> (700)
C29H34Cl2N2O2

>  <MolWeight> (700)
513.49846

>  <Item Name> (700)
Loperamide hydrochloride

>  <Catalog Number> (700)
S2480

>  <Synonyms> (700)
N/A

>  <Target> (700)
Opioid Receptor

>  <Form> (700)
Hydrochloride

>  <URL> (700)
http://www.selleckchem.com/products/Loperamide-hydrochloride.html

>  <CAS Number> (700)
34552-83-5

$$$$
Manidipine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (701)
701

>  <Formula> (701)
C35H38N4O6

>  <MolWeight> (701)
610.69942

>  <Item Name> (701)
Manidipine (Manyper)

>  <Catalog Number> (701)
S2481

>  <Synonyms> (701)
Artedil, Iperten 

>  <Target> (701)
Calcium Channel

>  <Form> (701)
Free Base

>  <URL> (701)
http://www.selleckchem.com/products/Manidipine(Manyper).html

>  <CAS Number> (701)
89226-50-6

$$$$
LY 411575.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (702)
702

>  <Formula> (702)
C26H23F2N3O4

>  <MolWeight> (702)
479.4753264

>  <Item Name> (702)
LY411575

>  <Catalog Number> (702)
S2714

>  <Synonyms> (702)
N/A 

>  <Target> (702)
Gamma-secretase

>  <Form> (702)
Free Base

>  <URL> (702)
http://www.selleckchem.com/products/ly-411575.html

>  <CAS Number> (702)
209984-57-6

$$$$
PCI-32765.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (703)
703

>  <Formula> (703)
C25H24N6O2

>  <MolWeight> (703)
440.49706

>  <Item Name> (703)
PCI-32765 (Ibrutinib)

>  <Catalog Number> (703)
S2680

>  <Synonyms> (703)
N/A

>  <Target> (703)
Src

>  <Form> (703)
Free Base

>  <URL> (703)
http://www.selleckchem.com/products/pci-32765.html

>  <CAS Number> (703)
936563-96-1

$$$$
TAK-901.cdx
csChFnd80/10101813032D

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C28H21N7OS

>  <MolWeight> (707)
503.57764

>  <Item Name> (707)
AMG 900

>  <Catalog Number> (707)
S2719

>  <Synonyms> (707)
N/A

>  <Target> (707)
Aurora Kinase

>  <Form> (707)
Free Base

>  <URL> (707)
http://www.selleckchem.com/products/amg-900.html

>  <CAS Number> (707)
945595-80-2

$$$$
Manidipine HCl.cdx
csChFnd80/10101813032D

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   15.7406    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1765    6.6427    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7766    6.6427    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 44 45  2  0  0  0  0
 45 35  1  0  0  0  0
M  END
>  <Mol_ID> (708)
708

>  <Formula> (708)
C35H40Cl2N4O6

>  <MolWeight> (708)
683.6213

>  <Item Name> (708)
Manidipine dihydrochloride (CV-4093)

>  <Catalog Number> (708)
S2482

>  <Synonyms> (708)
N/A

>  <Target> (708)
Calcium Channel

>  <Form> (708)
Dihydrochloride

>  <URL> (708)
http://www.selleckchem.com/products/Manidipine-dihydrochloride(CV-4093).html

>  <CAS Number> (708)
89226-75-5

$$$$
Milrinone.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  3  0  0  0  0
M  END
>  <Mol_ID> (709)
709

>  <Formula> (709)
C12H9N3O

>  <MolWeight> (709)
211.21936

>  <Item Name> (709)
Milrinone (Primacor)

>  <Catalog Number> (709)
S2484

>  <Synonyms> (709)
Primacor

>  <Target> (709)
ATPase

>  <Form> (709)
Free Base

>  <URL> (709)
http://www.selleckchem.com/products/Milrinone(Primacor).html

>  <CAS Number> (709)
78415-72-2

$$$$

csChFnd80/10101813032D

 34 34  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (710)
710

>  <Formula> (710)
C22H30Cl2N4O6

>  <MolWeight> (710)
517.4028

>  <Item Name> (710)
Mitoxantrone 2HCl

>  <Catalog Number> (710)
S2485

>  <Synonyms> (710)
NSC-301739

>  <Target> (710)
Topoisomerase

>  <Form> (710)
Dihydrochloride

>  <URL> (710)
http://www.selleckchem.com/products/Mitoxantrone.html

>  <CAS Number> (710)
70476-82-3

$$$$
Moroxydine HCl.cdx
csChFnd80/10101813032D

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8014    1.3417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
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  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (711)
711

>  <Formula> (711)
C6H14ClN5O

>  <MolWeight> (711)
207.66126

>  <Item Name> (711)
Moroxydine HCl

>  <Catalog Number> (711)
S2486

>  <Synonyms> (711)
N/A

>  <Target> (711)
Antifection

>  <Form> (711)
Hydrochloride

>  <URL> (711)
http://www.selleckchem.com/products/Moroxydine-hydrochloride.html

>  <CAS Number> (711)
3160-91-6

$$$$
Mycophenolic acid.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
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    8.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4206    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0495    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
  7 14  2  0  0  0  0
  6 15  1  0  0  0  0
  3 16  1  0  0  0  0
 12 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (712)
712

>  <Formula> (712)
C17H20O6

>  <MolWeight> (712)
320.3371

>  <Item Name> (712)
Mycophenolic acid

>  <Catalog Number> (712)
S2487

>  <Synonyms> (712)
Mycophenolate, RS-61443

>  <Target> (712)
Dehydrogenase

>  <Form> (712)
Free Base

>  <URL> (712)
http://www.selleckchem.com/products/Mycophenolic-acid(Mycophenolate).html

>  <CAS Number> (712)
24280-93-1

$$$$
nateglinide.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  1  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (713)
713

>  <Formula> (713)
C19H27NO3

>  <MolWeight> (713)
317.42258

>  <Item Name> (713)
Nateglinide (Starlix)

>  <Catalog Number> (713)
S2489

>  <Synonyms> (713)
Starlix

>  <Target> (713)
Potassium Channel

>  <Form> (713)
Free Base

>  <URL> (713)
http://www.selleckchem.com/products/Nateglinide(Starlix).html

>  <CAS Number> (713)
105816-04-4

$$$$
Nitrendipine.cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8413    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4744    8.3879    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6827    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <Mol_ID> (714)
714

>  <Formula> (714)
C18H20N2O6

>  <MolWeight> (714)
360.3612

>  <Item Name> (714)
Nitrendipine

>  <Catalog Number> (714)
S2491

>  <Synonyms> (714)
N/A

>  <Target> (714)
Calcium Channel

>  <Form> (714)
Free Base

>  <URL> (714)
http://www.selleckchem.com/products/Nitrendipine.html

>  <CAS Number> (714)
39562-70-4

$$$$
Novobiocin sodium.cdx
csChFnd80/10101813032D

 45 47  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    9.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.1781    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3906    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5988    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3906    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0166    8.0306    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 17  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 23  1  0  0  0  0
  1 28  1  1  0  0  0
  3 29  1  6  0  0  0
  2 30  1  6  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
 10 37  1  0  0  0  0
 15 38  2  0  0  0  0
 26 39  1  0  0  0  0
 25 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (715)
715

>  <Formula> (715)
C31H35N2NaO11

>  <MolWeight> (715)
634.60617

>  <Item Name> (715)
Novobiocin sodium (Albamycin)

>  <Catalog Number> (715)
S2492

>  <Synonyms> (715)
Albamycin, Cathomycin

>  <Target> (715)
Topoisomerase

>  <Form> (715)
Sodium Salt

>  <URL> (715)
www.selleckchem.com/products/Novobiocin-sodium(Albamycin).html

>  <CAS Number> (715)
1476-53-5

$$$$
Olanzapine.cdx
csChFnd80/10101813032D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.9370    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    3.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001    0.2342    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4544    1.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042    2.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8146    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2423    4.6687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6384    4.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2458    6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4572    7.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    7.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4536    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625    8.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  3  1  0  0  0  0
 13 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (716)
716

>  <Formula> (716)
C17H20N4S

>  <MolWeight> (716)
312.4325

>  <Item Name> (716)
Olanzapine (Zyprexa)

>  <Catalog Number> (716)
S2493

>  <Synonyms> (716)
Zyprexa, Zalasta, Zolafren, Olzapin, Oferta, Zypadhera 

>  <Target> (716)
5-HT Receptor, Dopamine Receptor

>  <Form> (716)
Free Base

>  <URL> (716)
http://www.selleckchem.com/products/Olanzapine(Zyprexa).html

>  <CAS Number> (716)
132539-06-1

$$$$
Olopatadine HCl.cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.9370    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    6.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    7.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    8.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9183    5.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
 16  4  1  0  0  0  0
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 19 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (717)
717

>  <Formula> (717)
C21H24ClNO3

>  <MolWeight> (717)
373.87316

>  <Item Name> (717)
Olopatadine hydrochloride (Opatanol)

>  <Catalog Number> (717)
S2494

>  <Synonyms> (717)
Opatanol, Pataday, Patanase, Allelock 

>  <Target> (717)
Histamine Receptor

>  <Form> (717)
Hydrochloride

>  <URL> (717)
http://www.selleckchem.com/products/Olopatadine-hydrochloride(Opatanol).html

>  <CAS Number> (717)
140462-76-6

$$$$
Ozagrel.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.6322    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0694    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (718)
718

>  <Formula> (718)
C13H12N2O2

>  <MolWeight> (718)
228.24658

>  <Item Name> (718)
Ozagrel

>  <Catalog Number> (718)
S2496

>  <Synonyms> (718)
OKY 046 

>  <Target> (718)
Factor Xa

>  <Form> (718)
Free Base

>  <URL> (718)
http://www.selleckchem.com/products/Ozagrel.html

>  <CAS Number> (718)
82571-53-7

$$$$
Pancuronium bromide.cdx
csChFnd80/10101813032D

 47 50  0  0  0  0  0  0  0  0999 V2000
    3.6331    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6953    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.5243    9.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1597    8.8013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (719)
719

>  <Formula> (719)
C35H60Br2N2O4

>  <MolWeight> (719)
732.6699

>  <Item Name> (719)
Pancuronium dibromide

>  <Catalog Number> (719)
S2497

>  <Synonyms> (719)
N/A

>  <Target> (719)
AChR

>  <Form> (719)
di-quaternary-N bromide salt

>  <URL> (719)
http://www.selleckchem.com/products/Pancuronium-bromide(Pavulon).html

>  <CAS Number> (719)
15500-66-0

$$$$
GSK2126458.cdx
csChFnd80/10101813032D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (720)
720

>  <Formula> (720)
C25H17F2N5O3S

>  <MolWeight> (720)
505.4959864

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Omipalisib (GSK2126458, GSK458)

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S2658

>  <Synonyms> (720)
N/A 

>  <Target> (720)
PI3K, mTOR

>  <Form> (720)
Free Base

>  <URL> (720)
http://www.selleckchem.com/products/gsk2126458.html

>  <CAS Number> (720)
1086062-66-9 

$$$$
Quinine hydrochloride dihydrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (721)
721

>  <Formula> (721)
C20H29ClN2O4

>  <MolWeight> (721)
396.90826

>  <Item Name> (721)
Quinine hydrochloride dihydrate

>  <Catalog Number> (721)
S2502

>  <Synonyms> (721)
N/A

>  <Target> (721)
Potassium Channel

>  <Form> (721)
Hydrochloride dihydrate

>  <URL> (721)
http://www.selleckchem.com/products/Quinine-hydrochloride-dihydrate.html

>  <CAS Number> (721)
6119-47-7 

$$$$
Racecadotril.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (722)
722

>  <Formula> (722)
C21H23NO4S

>  <MolWeight> (722)
385.47662

>  <Item Name> (722)
Racecadotril (Acetorphan)

>  <Catalog Number> (722)
S2503

>  <Synonyms> (722)
Acetorphan

>  <Target> (722)
Opioid Receptor

>  <Form> (722)
Free Base

>  <URL> (722)
http://www.selleckchem.com/products/Racecadotril(Acetorphan).html

>  <CAS Number> (722)
81110-73-8

$$$$
Ribavirin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (723)
723

>  <Formula> (723)
C8H12N4O5

>  <MolWeight> (723)
244.20468

>  <Item Name> (723)
Ribavirin (Copegus)

>  <Catalog Number> (723)
S2504

>  <Synonyms> (723)
Rebetol, Ribasphere, Vilona, Virazole 

>  <Target> (723)
Antifection

>  <Form> (723)
Free Base

>  <URL> (723)
http://www.selleckchem.com/products/Ribavirin(Copegus).html

>  <CAS Number> (723)
36791-04-5

$$$$
Rosiglitazone maleate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (724)
724

>  <Formula> (724)
C22H23N3O7S

>  <MolWeight> (724)
473.49892

>  <Item Name> (724)
Rosiglitazone maleate

>  <Catalog Number> (724)
S2505

>  <Synonyms> (724)
N/A

>  <Target> (724)
PPAR

>  <Form> (724)
Maleate

>  <URL> (724)
http://www.selleckchem.com/products/Rosiglitazone-maleate.html

>  <CAS Number> (724)
155141-29-0

$$$$
Scopolamine hydrobromide.cdx
csChFnd80/10101813032D

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    1.7375    9.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    4.0541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5340    6.9076    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  1  0  0  0
  6  7  1  0  0  0  0
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  5  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 20  1  1  6  0  0  0
 16 21  1  6  0  0  0
 15 22  1  6  0  0  0
 14 23  1  6  0  0  0
 15 24  1  0  0  0  0
 24 14  1  0  0  0  0
 17 25  1  0  0  0  0
 13 26  1  1  0  0  0
M  END
>  <Mol_ID> (725)
725

>  <Formula> (725)
C17H22BrNO4

>  <MolWeight> (725)
384.26488

>  <Item Name> (725)
Scopolamine hydrobromide

>  <Catalog Number> (725)
S2508

>  <Synonyms> (725)
N/A

>  <Target> (725)
AChR

>  <Form> (725)
Hydrobromide

>  <URL> (725)
http://www.selleckchem.com/products/Scopolamine-hydrobromide.html

>  <CAS Number> (725)
114-49-8

$$$$
Sotalol HCl.cdx
csChFnd80/10101813032D

 19 18  0  0  0  0  0  0  0  0999 V2000
    5.5878    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    2.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6878    2.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6878    5.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    5.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7878    3.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    2.7834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1878    1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2754    2.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7003    3.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    3.9958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4951    2.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    2.7876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    1.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    0.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    5.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7185    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (726)
726

>  <Formula> (726)
C12H21ClN2O3S

>  <MolWeight> (726)
308.82474

>  <Item Name> (726)
Sotalol HCl

>  <Catalog Number> (726)
S2509

>  <Synonyms> (726)
Sotalex

>  <Target> (726)
Adrenergic Receptor

>  <Form> (726)
Hydrochloride

>  <URL> (726)
http://www.selleckchem.com/products/Sotalol-hydrochloride(Betapace).html

>  <CAS Number> (726)
959-24-0

$$$$
Spectinomycin  HCl.cdx
csChFnd80/10101813032D

 28 28  0  0  0  0  0  0  0  0999 V2000
    2.4165    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    4.8417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.1417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    4.8417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    6.2417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    6.9417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    4.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    6.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    6.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    4.2313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    4.2313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 11 15  2  0  0  0  0
  9 16  1  1  0  0  0
  8 17  1  1  0  0  0
  3 18  1  1  0  0  0
  2 19  1  1  0  0  0
  1 20  1  1  0  0  0
  6 21  1  6  0  0  0
  5 22  1  6  0  0  0
 13 23  1  6  0  0  0
  4 24  1  1  0  0  0
 20 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
>  <Mol_ID> (727)
727

>  <Formula> (727)
C14H26Cl2N2O7

>  <MolWeight> (727)
405.27144

>  <Item Name> (727)
Spectinomycin 2HCl

>  <Catalog Number> (727)
S2510

>  <Synonyms> (727)
Actinospectacin

>  <Target> (727)
Antifection

>  <Form> (727)
dihydrochloride

>  <URL> (727)
www.selleckchem.com/products/Spectinomycin--hydrochloride.html

>  <CAS Number> (727)
21736-83-4

$$$$
Sulfadoxine.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1438    4.0058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    1.5851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (728)
728

>  <Formula> (728)
C12H14N4O4S

>  <MolWeight> (728)
310.32896

>  <Item Name> (728)
Sulfadoxine (Sulphadoxine)

>  <Catalog Number> (728)
S2511

>  <Synonyms> (728)
Sulphadoxine

>  <Target> (728)
Antifection

>  <Form> (728)
Free Base

>  <URL> (728)
http://www.selleckchem.com/products/Sulfadoxine(Sulphadoxine).html

>  <CAS Number> (728)
2447-57-6

$$$$
Terbinafine hydrochloride.cdx
csChFnd80/10101813032D

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.2521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    2.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7389    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  3  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (729)
729

>  <Formula> (729)
C21H26ClN

>  <MolWeight> (729)
327.89084

>  <Item Name> (729)
Terbinafine hydrochloride (Lamisil)

>  <Catalog Number> (729)
S2557

>  <Synonyms> (729)
Zabel

>  <Target> (729)
Antifection

>  <Form> (729)
Hydrochloride

>  <URL> (729)
www.selleckchem.com/products/Terbinafine-hydrochloride(Zabel).html

>  <CAS Number> (729)
78628-80-5

$$$$
Vardenafil hydrochloride trihydrate.cdx
csChFnd80/10101813032D

 38 37  0  0  0  0  0  0  0  0999 V2000
    4.8518    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    3.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0642    2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767    3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767    4.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0642    5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    2.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4311    3.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4849    5.5392    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    4.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    3.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9098    2.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1222    3.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1222    4.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9098    5.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7849    6.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1849    6.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    5.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    4.8368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7553    5.5368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3304    6.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    9.0320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0868    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9097    6.2368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0868    7.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5179    3.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5179    8.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8826    3.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3137    2.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6845    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4338    3.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0338    3.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  2  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 18  1  0  0  0  0
 25 27  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 24  2  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (730)
730

>  <Formula> (730)
C23H39ClN6O7S

>  <MolWeight> (730)
579.10976

>  <Item Name> (730)
Vardenafil Hydrochloride Trihydrate (Vivanza

>  <Catalog Number> (730)
S2515

>  <Synonyms> (730)
Levitra 

>  <Target> (730)
PDE

>  <Form> (730)
Hydrochloride trihydrate

>  <URL> (730)
http://www.selleckchem.com/products/Vardenafil(Vivanza).html

>  <CAS Number> (730)
224785-90-4

$$$$
Maprotiline hydrochloride.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9624    1.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9624    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5098    2.5083    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21  7  1  0  0  0  0
M  END
>  <Mol_ID> (731)
731

>  <Formula> (731)
C20H24ClN

>  <MolWeight> (731)
313.86426

>  <Item Name> (731)
Maprotiline hydrochloride

>  <Catalog Number> (731)
S2517

>  <Synonyms> (731)
Deprilept, Ludiomil, Psymion

>  <Target> (731)
Reuptake inhibitor

>  <Form> (731)
Hydrochloride

>  <URL> (731)
http://www.selleckchem.com/products/Maprotiline-hydrochloride.html

>  <CAS Number> (731)
10347-81-6

$$$$
Naphazoline hydrochloride.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5695    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3327    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9201    3.3104    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  1  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (732)
732

>  <Formula> (732)
C14H15ClN2

>  <MolWeight> (732)
246.7353

>  <Item Name> (732)
Naphazoline hydrochloride (Naphcon)

>  <Catalog Number> (732)
S2519

>  <Synonyms> (732)
Naphcon, Albalon

>  <Target> (732)
Adrenergic Receptor

>  <Form> (732)
Hydrochloride

>  <URL> (732)
http://www.selleckchem.com/products/Naphazoline-hydrochloride-Naphcon.html

>  <CAS Number> (732)
550-99-2

$$$$
Epinephrine bitartrate.cdx
csChFnd80/10101813032D

 23 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.4122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8582    5.8122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    4.4146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    3.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8193    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0360    2.1024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8193    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6069    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0360    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2484    1.4024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2484    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4609    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4609    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6733    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  6  0  0  0
 15 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (733)
733

>  <Formula> (733)
C13H19NO9

>  <MolWeight> (733)
333.29126

>  <Item Name> (733)
Epinephrine bitartrate (Adrenalinium)

>  <Catalog Number> (733)
S2521

>  <Synonyms> (733)
D02149, Adrenalinetartrate, Adrenaline tatrate, Epinephrine Acid Tartrate 

>  <Target> (733)
Adrenergic Receptor

>  <Form> (733)
tartrate

>  <URL> (733)
http://www.selleckchem.com/products/Epinephrine-bitartrate-Adrenalinium.html

>  <CAS Number> (733)
51-42-3

$$$$
L-Adrenaline.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (734)
734

>  <Formula> (734)
C9H13NO3

>  <MolWeight> (734)
183.20442

>  <Item Name> (734)
L-Adrenaline (Epinephrine)

>  <Catalog Number> (734)
S2522

>  <Synonyms> (734)
Adrenaline, d-Adrenaline, Adnephrine, Adrenalin, Chelafrin, Epinefrina, Epinephran, Epirenan, Exadri 

>  <Target> (734)
Adrenergic Receptor

>  <Form> (734)
Free Base

>  <URL> (734)
http://www.selleckchem.com/products/L-Adrenaline-Epinephrine.html

>  <CAS Number> (734)
51-43-4

$$$$
Phenytoin sodium.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.3373    4.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741    2.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.8612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7067    4.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7435    5.1871    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.0750    4.7545    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.2840    0.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2951    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3051    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0097    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
  3  8  2  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  9 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  9  1  0  0  0  0
M  END
>  <Mol_ID> (735)
735

>  <Formula> (735)
C15H11N2NaO2

>  <MolWeight> (735)
274.24981

>  <Item Name> (735)
Phenytoin sodium (Dilantin)

>  <Catalog Number> (735)
S2524

>  <Synonyms> (735)
Aleviatin, Diphenylhydantoin sodium, Eptoin, Phenytoin soluble, Prompt; Phenytek 

>  <Target> (735)
Sodium Channel

>  <Form> (735)
Sodium Salt

>  <URL> (735)
http://www.selleckchem.com/products/Phenytoin-sodium-Dilantin.html

>  <CAS Number> (735)
630-93-3

$$$$
Phenytoin.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.1249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575    4.1353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    5.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9922    4.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6449    6.5955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6654    3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  2  0  0  0  0
  5  7  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  8 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  8  1  0  0  0  0
M  END
>  <Mol_ID> (736)
736

>  <Formula> (736)
C15H12N2O2

>  <MolWeight> (736)
252.26798

>  <Item Name> (736)
Phenytoin (Lepitoin)

>  <Catalog Number> (736)
S2525

>  <Synonyms> (736)
Di-Hydan, Dihycon, Dilabid, Diphedan, Diphenat, Diphenylan, Diphenylhydantoin, Hydantol, Lehydan, NS

>  <Target> (736)
Sodium Channel

>  <Form> (736)
Free Base

>  <URL> (736)
http://www.selleckchem.com/products/Phenytoin-Lepitoin.html

>  <CAS Number> (736)
57-41-0

$$$$
Ciclopirox.cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 11 13  1  0  0  0  0
  9 14  2  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (737)
737

>  <Formula> (737)
C12H17NO2

>  <MolWeight> (737)
207.26888

>  <Item Name> (737)
Ciclopirox (Penlac)

>  <Catalog Number> (737)
S2528

>  <Synonyms> (737)
Batrafen, Loprox, Mycoster, Stieprox, HOE 296b 

>  <Target> (737)
ATPase

>  <Form> (737)
Free Base

>  <URL> (737)
http://www.selleckchem.com/products/Ciclopirox-Penlac.html

>  <CAS Number> (737)
29342-05-0

$$$$
Dopamine hydrochloride.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.8622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9784    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (738)
738

>  <Formula> (738)
C8H12ClNO2

>  <MolWeight> (738)
189.63938

>  <Item Name> (738)
Dopamine hydrochloride (Inotropin)

>  <Catalog Number> (738)
S2529

>  <Synonyms> (738)
ASL 279, Cardiosteril, Dopamine Fresenius, Dopastat, Intropin, Rascordin, Revivan, Tensamin 

>  <Target> (738)
Dopamine Receptor

>  <Form> (738)
Hydrochloride 

>  <URL> (738)
http://www.selleckchem.com/products/Dopamine-hydrochloride-Inotropin.html

>  <CAS Number> (738)
62-31-7

$$$$
Asaraldehyde.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (739)
739

>  <Formula> (739)
C10H12O4

>  <MolWeight> (739)
196.19988

>  <Item Name> (739)
Asaraldehyde (Asaronaldehyde)

>  <Catalog Number> (739)
S2531

>  <Synonyms> (739)
Asaronaldehyde, Asarylaldehyde, NSC 89299 

>  <Target> (739)
COX

>  <Form> (739)
Free Base

>  <URL> (739)
http://www.selleckchem.com/products/Asaraldehyde-Asaronaldehyde.html

>  <CAS Number> (739)
4460-86-0 

$$$$
L-Ascorbyl 6-palmitate.cdx
csChFnd80/10101813032D

 30 30  0  0  0  0  0  0  0  0999 V2000
    2.4680    0.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    1.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1705    3.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656    3.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9427    4.2937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    4.2937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9361    1.3923    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1528    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3652    1.3948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5776    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7901    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0025    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2149    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4274    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6398    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8522    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0647    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2771    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4895    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7020    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9144    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1268    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3393    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5517    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7641    1.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5776    3.4948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0824    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9682    0.4679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 12 28  2  0  0  0  0
  9 29  1  6  0  0  0
  2 30  1  6  0  0  0
M  END
>  <Mol_ID> (740)
740

>  <Formula> (740)
C22H38O7

>  <MolWeight> (740)
414.53292

>  <Item Name> (740)
L-Ascorbyl 6-palmitate

>  <Catalog Number> (740)
S2532

>  <Synonyms> (740)
Ascorbic palmitate, Ascorbyl monopalmitate, Ascorbyl palmitate, E 304, Grindox 562, L-Ascorbyl 6-pal 

>  <Target> (740)
Others

>  <Form> (740)
Free Base

>  <URL> (740)
http://www.selleckchem.com/products/L-Ascorbyl-6-palmitate.html

>  <CAS Number> (740)
137-66-6

$$$$
Ritodrine hydrochloride.cdx
csChFnd80/10101813032D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4790    4.1499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6872    0.7477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7496    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4784    2.6542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  1  0  0  0
  9 21  1  1  0  0  0
  8 22  1  6  0  0  0
  9 23  1  6  0  0  0
M  END
>  <Mol_ID> (741)
741

>  <Formula> (741)
C17H22ClNO3

>  <MolWeight> (741)
323.81448

>  <Item Name> (741)
Ritodrine hydrochloride (Yutopar)

>  <Catalog Number> (741)
S2533

>  <Synonyms> (741)
DU 21220; Miolene; NSC 291565

>  <Target> (741)
Adrenergic Receptor

>  <Form> (741)
Hydrochloride

>  <URL> (741)
www.selleckchem.com/products/Ritodrine-hydrochloride-Yutopar.html

>  <CAS Number> (741)
23239-51-2

$$$$
Isoconazole nitrate.cdx
csChFnd80/10101813032D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  2  7  1  0  0  0  0
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 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
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 23 11  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (742)
742

>  <Formula> (742)
C18H15Cl4N3O4

>  <MolWeight> (742)
479.1414

>  <Item Name> (742)
Isoconazole nitrate (Travogen)

>  <Catalog Number> (742)
S2534

>  <Synonyms> (742)
Adestan G 100, Fazol, Gyno-Travogen, R 15454, Travogyn 

>  <Target> (742)
Antifection

>  <Form> (742)
Nitrate 

>  <URL> (742)
http://www.selleckchem.com/products/Isoconazole-nitrate-Travogen.html

>  <CAS Number> (742)
24168-96-5

$$$$
Econazole nitrate.cdx
csChFnd80/10101813032D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.3285    4.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (743)
743

>  <Formula> (743)
C18H16Cl3N3O4

>  <MolWeight> (743)
444.69634

>  <Item Name> (743)
Econazole nitrate (Spectazole)

>  <Catalog Number> (743)
S2535

>  <Synonyms> (743)
Ecostatin, Epi-Pevaryl, Gyno-Pevaryl, Gynoryl, Ifenec, Micogin, NSC 243115, Palavale, Pevaryl 

>  <Target> (743)
Calcium Channel

>  <Form> (743)
Nitrate

>  <URL> (743)
http://www.selleckchem.com/products/Econazole-nitrate-Spectazole.html

>  <CAS Number> (743)
24169-02-6

$$$$
Miconazole.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.4854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    5.5903    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.5879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6208    4.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9902    3.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6902    5.1169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7534    6.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 15  2  0  0  0  0
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 14 20  1  0  0  0  0
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 15 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
>  <Mol_ID> (744)
744

>  <Formula> (744)
C18H14Cl4N2O

>  <MolWeight> (744)
416.12856

>  <Item Name> (744)
Miconazole (Monistat)

>  <Catalog Number> (744)
S2536

>  <Synonyms> (744)
Daktarin IV, MJR 1762, Monistat IV, NSC 170986, R 18134, Zimybase 

>  <Target> (744)
Others

>  <Form> (744)
Free Base

>  <URL> (744)
http://www.selleckchem.com/products/Miconazole-Monistat.html

>  <CAS Number> (744)
22916-47-8

$$$$
Secnidazole.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4680    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4680    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1705    5.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656    5.6668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (745)
745

>  <Formula> (745)
C7H11N3O3

>  <MolWeight> (745)
185.18054

>  <Item Name> (745)
Secnidazole (Flagentyl)

>  <Catalog Number> (745)
S2537

>  <Synonyms> (745)
PM 185184, RP 14539, Sindose, Secnil

>  <Target> (745)
Antifection

>  <Form> (745)
Free Base

>  <URL> (745)
http://www.selleckchem.com/products/Secnidazole-Flagentyl.html

>  <CAS Number> (745)
3366-95-8

$$$$
untitled.cdx
csChFnd80/10101813032D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.2951    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9951    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000    2.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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 28 23  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (746)
746

>  <Formula> (746)
C19H18ClN3O5S

>  <MolWeight> (746)
435.88132

>  <Item Name> (746)
Rivaroxaban (Xarelto)

>  <Catalog Number> (746)
S3002

>  <Synonyms> (746)
N/A 

>  <Target> (746)
Factor Xa

>  <Form> (746)
Free Base

>  <URL> (746)
http://www.selleckchem.com/products/Rivaroxaban.html

>  <CAS Number> (746)
366789-02-8

$$$$
fty720.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (747)
747

>  <Formula> (747)
C19H34ClNO2

>  <MolWeight> (747)
343.93176

>  <Item Name> (747)
Fingolimod (FTY720) HCl

>  <Catalog Number> (747)
S5002

>  <Synonyms> (747)
Gilenia 

>  <Target> (747)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (747)
Hydrochloride

>  <URL> (747)
http://www.selleckchem.com/products/FTY720.html

$$$$
P.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (748)
748

>  <Formula> (748)
C43H68ClNO11

>  <MolWeight> (748)
810.45312

>  <Item Name> (748)
Pimecrolimus

>  <Catalog Number> (748)
S5004

>  <Synonyms> (748)
Elidel, SDZ-ASM-981

>  <Target> (748)
Others

>  <Form> (748)
Free Base

>  <URL> (748)
http://www.selleckchem.com/products/Pimecrolimus.html

>  <CAS Number> (748)
137071-32-0

$$$$
CP-690550 citrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (749)
749

>  <Formula> (749)
C22H28N6O8

>  <MolWeight> (749)
504.49312

>  <Item Name> (749)
Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (749)
S5001

>  <Synonyms> (749)
N/A 

>  <Target> (749)
JAK

>  <Form> (749)
Citrate

>  <URL> (749)
http://www.selleckchem.com/products/CP-690550.html

>  <CAS Number> (749)
540737-29-9

$$$$
Toremifene Citrate.cdx
csChFnd80/10101813032D

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89778-27-8

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PI3K 

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870281-82-6

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PLK 

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755038-65-4

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M  END
>  <Mol_ID> (753)
753

>  <Formula> (753)
C28H23N7O2

>  <MolWeight> (753)
489.52792

>  <Item Name> (753)
PIK-294

>  <Catalog Number> (753)
S2227

>  <Synonyms> (753)
N/A 

>  <Target> (753)
PI3K 

>  <Form> (753)
Free Base

>  <URL> (753)
http://www.selleckchem.com/products/PIK-294.html

>  <CAS Number> (753)
900185-02-6

$$$$
TAME.cdx
csChFnd80/10101813032D

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 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (754)
754

>  <Formula> (754)
C14H22N4O4S

>  <MolWeight> (754)
342.41388

>  <Item Name> (754)
TAME

>  <Catalog Number> (754)
S2225 

>  <Synonyms> (754)
N/A

>  <Target> (754)
APC

>  <Form> (754)
Free Base

>  <URL> (754)
http://www.selleckchem.com/products/TAME.html

>  <CAS Number> (754)
901-47-3

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/10101813032D

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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (755)
755

>  <Formula> (755)
C20H16ClN5O3

>  <MolWeight> (755)
409.82574

>  <Item Name> (755)
Telatinib (BAY 57-9352)

>  <Catalog Number> (755)
S2231

>  <Synonyms> (755)
N/A 

>  <Target> (755)
VEGFR, PDGFR, c-Kit

>  <Form> (755)
Free Base

>  <URL> (755)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

>  <CAS Number> (755)
332012-40-5

$$$$
Neohesperidin.cdx
csChFnd80/10101813032D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (756)
756

>  <Formula> (756)
C28H34O15

>  <MolWeight> (756)
610.56056

>  <Item Name> (756)
Neohesperidin

>  <Catalog Number> (756)
S2332

>  <Synonyms> (756)
N/A

>  <Target> (756)
ROS

>  <Form> (756)
Free Base

>  <URL> (756)
http://www.selleckchem.com/products/Neohesperidin.html

>  <CAS Number> (756)
13241-33-3 

$$$$
Clomipramine hydrochloride.cdx
csChFnd80/10101813032D

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 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (757)
757

>  <Formula> (757)
C19H24Cl2N2

>  <MolWeight> (757)
351.31326

>  <Item Name> (757)
Clomipramine hydrochloride (Anafranil)

>  <Catalog Number> (757)
S2541

>  <Synonyms> (757)
Anafranil

>  <Target> (757)
5-HT Receptor

>  <Form> (757)
Hydrochloride

>  <URL> (757)
http://www.selleckchem.com/products/Clomipramine-hydrochloride-Anafranil.html

>  <CAS Number> (757)
17321-77-6

$$$$
Ceftiofur hydrochloride.cdx
csChFnd80/10101813032D

 37 39  0  0  0  0  0  0  0  0999 V2000
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   11.0260    3.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8136    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2011    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2011    3.5146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.2342    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (758)
758

>  <Formula> (758)
C19H18ClN5O7S3

>  <MolWeight> (758)
560.02352

>  <Item Name> (758)
Ceftiofur hydrochloride 

>  <Catalog Number> (758)
S2543

>  <Synonyms> (758)
N/A

>  <Target> (758)
Antifection

>  <Form> (758)
Hydrochloride 

>  <URL> (758)
http://www.selleckchem.com/products/Ceftiofur-hydrochloride.html

>  <CAS Number> (758)
103980-44-5

$$$$
Acetanilide.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
>  <Mol_ID> (759)
759

>  <Formula> (759)
C8H9NO

>  <MolWeight> (759)
135.16316

>  <Item Name> (759)
Acetanilide (Antifebrin)

>  <Catalog Number> (759)
S2538

>  <Synonyms> (759)
N-phenylacetamide, Acetanil, Acetamidobenzene, Acetylaniline, NSC 7636 

>  <Target> (759)
Others

>  <Form> (759)
Free Base

>  <URL> (759)
http://www.selleckchem.com/products/Acetanilide-Antifebrin.html

>  <CAS Number> (759)
103-84-4

$$$$
Phenformin hydrochloride.cdx
csChFnd80/10101813032D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (760)
760

>  <Formula> (760)
C10H16ClN5

>  <MolWeight> (760)
241.72054

>  <Item Name> (760)
Phenformin hydrochloride 

>  <Catalog Number> (760)
S2542

>  <Synonyms> (760)
N/A

>  <Target> (760)
AMPK

>  <Form> (760)
Hydrochloride 

>  <URL> (760)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

>  <CAS Number> (760)
834-28-6

$$$$
erythromycin.cdx
csChFnd80/10101813032D

 52 54  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (761)
761

>  <Formula> (761)
C37H67NO13

>  <MolWeight> (761)
733.92678

>  <Item Name> (761)
Erythromycin

>  <Catalog Number> (761)
s1635

>  <Synonyms> (761)
E-Mycin

>  <Target> (761)
Antifection

>  <Form> (761)
Free Base

>  <URL> (761)
http://www.selleckchem.com/products/Erythromycin(E-Mycin).ht

>  <CAS Number> (761)
114-07-8

$$$$
AZD5438.cdx
csChFnd80/10101813032D

 26 28  0  0  0  0  0  0  0  0999 V2000
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873697-71-3

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mTOR

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M  END
>  <Mol_ID> (766)
766

>  <Formula> (766)
C17H17N7

>  <MolWeight> (766)
319.36378

>  <Item Name> (766)
PP-121

>  <Catalog Number> (766)
S2622

>  <Synonyms> (766)
N/A

>  <Target> (766)
DNA-PK, mTOR, PDGF

>  <Form> (766)
Free Base

>  <URL> (766)
http://www.selleckchem.com/products/PP121.html

>  <CAS Number> (766)
1092788-83-4

$$$$
Trospium chloride.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.7530   10.2591    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    1.3404    6.9562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2603    7.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 11  1  6  0  0  0
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M  END
>  <Mol_ID> (767)
767

>  <Formula> (767)
C25H30ClNO3

>  <MolWeight> (767)
427.9636

>  <Item Name> (767)
Trospium chloride (Sanctura)

>  <Catalog Number> (767)
S2549

>  <Synonyms> (767)
Sanctura

>  <Target> (767)
AChR

>  <Form> (767)
quaternary-N chloride salt

>  <URL> (767)
http://www.selleckchem.com/products/Trospium-chloride-Sanctura.html

>  <CAS Number> (767)
10405-02-4

$$$$
Tolterodine tartrate.cdx
csChFnd80/10101813032D

 34 34  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (768)
768

>  <Formula> (768)
C26H37NO7

>  <MolWeight> (768)
475.57448

>  <Item Name> (768)
Tolterodine tartrate (Detrol LA)

>  <Catalog Number> (768)
S2550

>  <Synonyms> (768)
Detrol LA, Kabi-2234, PNU-200583E 

>  <Target> (768)
AChR

>  <Form> (768)
Tartrate 

>  <URL> (768)
http://www.selleckchem.com/products/Tolterodine-tartrate-Detrol-LA.html

>  <CAS Number> (768)
124937-52-6

$$$$
WP1130.cdx
csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (769)
769

>  <Formula> (769)
C19H18BrN3O

>  <MolWeight> (769)
384.26972

>  <Item Name> (769)
Degrasyn (WP1130)

>  <Catalog Number> (769)
S2243

>  <Synonyms> (769)
N/A

>  <Target> (769)
DUB, Bcr-Abl

>  <Form> (769)
Free Base

>  <URL> (769)
http://www.selleckchem.com/products/WP1130.html

>  <CAS Number> (769)
856243-80-6

$$$$
Clomifene citrate.cdx
csChFnd80/10101813032D

 42 43  0  0  0  0  0  0  0  0999 V2000
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   14.4248    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6330    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8412    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0495    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2577    0.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0495    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2166    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6330    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4248    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8412    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9954    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 10 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 31 38  2  0  0  0  0
 33 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 33 42  1  0  0  0  0
M  END
>  <Mol_ID> (770)
770

>  <Formula> (770)
C32H36ClNO8

>  <MolWeight> (770)
598.08314

>  <Item Name> (770)
Clomifene citrate (Serophene)

>  <Catalog Number> (770)
S2561

>  <Synonyms> (770)
Clomid, Serophene, Milophene

>  <Target> (770)
Estrogen/progestogen Receptor

>  <Form> (770)
Citrate

>  <URL> (770)
http://www.selleckchem.com/products/Clomifene-citrate-Serophene.html

>  <CAS Number> (770)
50-41-9

$$$$
Cloxacillin sodium.cdx
csChFnd80/10101813032D

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.9743    5.3667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9743    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3743    3.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3743    5.3667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7058    3.5340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5287    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7058    5.7993    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7619    6.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    5.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    3.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    5.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    6.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    7.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    7.4773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451    8.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575    7.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4699    8.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4699    9.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   10.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451    9.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8368   10.2749    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9878    2.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411    5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1369    2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034    1.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5015    1.9171    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.0469   10.3832    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.3743    6.7667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5910    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  1  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 16  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  0  0  0  0
  2 24  2  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  5 27  1  6  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  4 31  1  6  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (771)
771

>  <Formula> (771)
C19H19ClN3NaO6S

>  <MolWeight> (771)
475.87843

>  <Item Name> (771)
Cloxacillin sodium

>  <Catalog Number> (771)
S2564

>  <Synonyms> (771)
Cloxapen, Cloxacap, Orbenin

>  <Target> (771)
Antifection

>  <Form> (771)
Sodium Salt & hydrate

>  <URL> (771)
http://www.selleckchem.com/products/Cloxacillin-sodium-Cloxacap.html

>  <CAS Number> (771)
7081-44-9

$$$$
Niacin(acid).cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (772)
772

>  <Formula> (772)
C6H5NO2

>  <MolWeight> (772)
123.1094

>  <Item Name> (772)
Niacin (Nicotinic acid)

>  <Catalog Number> (772)
S1744 

>  <Synonyms> (772)
Vitamin B3, Niacinamide, Nicotinic acid

>  <Target> (772)
Vitamin

>  <Form> (772)
Free Base

>  <URL> (772)
http://www.selleckchem.com/products/Niacin(Nicotinic-acid).html

>  <CAS Number> (772)
59-67-6

$$$$
Cortisone acetate.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3312    5.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6958    5.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6294    4.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1270    6.8297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542    4.2703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  5 27  1  1  0  0  0
  9 28  1  1  0  0  0
 12 29  1  1  0  0  0
 10 30  1  6  0  0  0
 11 31  1  6  0  0  0
 17 32  1  6  0  0  0
M  END
>  <Mol_ID> (773)
773

>  <Formula> (773)
C23H30O6

>  <MolWeight> (773)
402.4807

>  <Item Name> (773)
Cortisone acetate (Cortone)

>  <Catalog Number> (773)
S2559

>  <Synonyms> (773)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (773)
Glucocorticoid Receptor

>  <Form> (773)
Free Base

>  <URL> (773)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

>  <CAS Number> (773)
50-04-4

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/10101813032D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4472    1.4972    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (774)
774

>  <Formula> (774)
C11H18ClNO3

>  <MolWeight> (774)
247.71852

>  <Item Name> (774)
Isoprenaline hydrochloride

>  <Catalog Number> (774)
S2566

>  <Synonyms> (774)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (774)
Adrenergic Receptor

>  <Form> (774)
Hydrochloride

>  <URL> (774)
http://www.selleckchem.com/products/Isoprenaline-hydrochloride.html

>  <CAS Number> (774)
51-30-9

$$$$
Rosiglitazone.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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775

>  <Formula> (775)
C18H19N3O3S

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Rosiglitazone (Avandia)

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S2556

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Avandia, BRL-49653

>  <Target> (775)
PPAR

>  <Form> (775)
Free Base

>  <URL> (775)
http://www.selleckchem.com/products/Rosiglitazone-Avandia.html

>  <CAS Number> (775)
122320-73-4

$$$$
BKM-120.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (776)
776

>  <Formula> (776)
C18H21F3N6O2

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BKM120 (NVP-BKM120)

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S2247 

>  <Synonyms> (776)
N/A 

>  <Target> (776)
PI3K

>  <Form> (776)
Free Base

>  <URL> (776)
http://www.selleckchem.com/products/BKM-120.html

>  <CAS Number> (776)
944396-07-0

$$$$
CX-4945.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (777)
777

>  <Formula> (777)
C19H12ClN3O2

>  <MolWeight> (777)
349.77048

>  <Item Name> (777)
cx-4945 (Silmitasertib)

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S2248

>  <Synonyms> (777)
N/A 

>  <Target> (777)
PKC

>  <Form> (777)
Free Base

>  <URL> (777)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

>  <CAS Number> (777)
1009820-21-6

$$$$
GW3965 hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (778)
778

>  <Formula> (778)
C33H32Cl2F3NO3

>  <MolWeight> (778)
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>  <Item Name> (778)
GW3965 HCl

>  <Catalog Number> (778)
S2630

>  <Synonyms> (778)
GW-3965

>  <Target> (778)
Liver X Receptor

>  <Form> (778)
hydrochloride

>  <URL> (778)
http://www.selleckchem.com/products/gw3965.html

>  <CAS Number> (778)
405911-17-3

$$$$
LY2157299.cdx
csChFnd80/10101813032D

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HSP

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mTOR

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1062159-35-6 

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mTOR

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S2015

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IPD 1151T

>  <Target> (809)
IL Receptor

>  <Form> (809)
Tosylate

>  <URL> (809)
http://www.selleckchem.com/products/suplatast-tosilate.html

>  <CAS Number> (809)
94055-76-2

$$$$
TWS119.cdx
csChFnd80/10101813032D

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C18H14N4O2

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S1590

>  <Synonyms> (810)
N/A

>  <Target> (810)
GSK-3

>  <Form> (810)
Free Base

>  <URL> (810)
http://www.selleckchem.com/products/TWS119.html

>  <CAS Number> (810)
601514-19-6

$$$$
Apatinib.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (811)
811

>  <Formula> (811)
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>  <Item Name> (811)
Apatinib mesylate

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S2221

>  <Synonyms> (811)
YN968D1

>  <Target> (811)
VEGFR

>  <Form> (811)
mesylate

>  <URL> (811)
http://www.selleckchem.com/products/Apatinib-YN968D1.html

>  <CAS Number> (811)
811803-05-1

$$$$
untitled.cdx
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>  <Mol_ID> (812)
812

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>  <Target> (812)
IGF-1R

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Free Base

>  <URL> (812)
http://www.selleckchem.com/products/BMS-536924.html

>  <CAS Number> (812)
468740-43-4

$$$$
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M  END
>  <Mol_ID> (813)
813

>  <Formula> (813)
C21H27N7O3

>  <MolWeight> (813)
425.48418

>  <Item Name> (813)
GSK690693

>  <Catalog Number> (813)
S1113

>  <Synonyms> (813)
N/A

>  <Target> (813)
Akt

>  <Form> (813)
Free Base

>  <URL> (813)
http://www.selleckchem.com/products/GSK690693.html

>  <CAS Number> (813)
937174-76-0

$$$$
LIDEX-E (fluocinonide).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (814)
814

>  <Formula> (814)
C26H32F2O7

>  <MolWeight> (814)
494.5248864

>  <Item Name> (814)
Fluocinonide (Vanos)

>  <Catalog Number> (814)
S2608

>  <Synonyms> (814)
Fluonex, Lidex, Lidex-E, Lonide, Lyderm 

>  <Target> (814)
Glucocorticoid Receptor

>  <Form> (814)
Free Base

>  <URL> (814)
http://www.selleckchem.com/products/Fluocinonide(Vanos).html

>  <CAS Number> (814)
356-12-7

$$$$
Ginkgolide A.cdx
csChFnd80/10101813032D

 31 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (815)
815

>  <Formula> (815)
C20H24O9

>  <MolWeight> (815)
408.39916

>  <Item Name> (815)
Ginkgolide A

>  <Catalog Number> (815)
S2026

>  <Synonyms> (815)
BN52020

>  <Target> (815)
GABA Receptor

>  <Form> (815)
Free Base

>  <URL> (815)
http://www.selleckchem.com/products/ginkgolide-a.html

>  <CAS Number> (815)
15291-75-5

$$$$
Curcumin.cdx
csChFnd80/10101813032D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (816)
816

>  <Formula> (816)
C21H20O6

>  <MolWeight> (816)
368.3799

>  <Item Name> (816)
Curcumin

>  <Catalog Number> (816)
S1848

>  <Synonyms> (816)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (816)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (816)
Free Base

>  <URL> (816)
http://www.selleckchem.com/products/Curcumin.html

>  <CAS Number> (816)
458-37-7

$$$$
Ciproxifan.cdx
csChFnd80/10101813032D

 28 29  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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 21 22  1  0  0  0  0
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 21 26  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (817)
817

>  <Formula> (817)
C20H22N2O6

>  <MolWeight> (817)
386.39848

>  <Item Name> (817)
Ciproxifan Maleate

>  <Catalog Number> (817)
S2813

>  <Synonyms> (817)
FUB 359

>  <Target> (817)
Histamine Receptor 

>  <Form> (817)
Maleate

>  <URL> (817)
http://www.selleckchem.com/products/ciproxifan.html

>  <CAS Number> (817)
184025-19-2

$$$$
LY2603618.cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
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 16 11  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 20  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (818)
818

>  <Formula> (818)
C18H22BrN5O3

>  <MolWeight> (818)
436.30298

>  <Item Name> (818)
LY2603618 (IC-83)

>  <Catalog Number> (818)
S2626

>  <Synonyms> (818)
N/A 

>  <Target> (818)
Chk

>  <Form> (818)
Free Base

>  <URL> (818)
http://www.selleckchem.com/products/LY2603618-IC-83.html

>  <CAS Number> (818)
911222-45-2

$$$$
Prednisolone acetate.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  6  1  2  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 17 28  1  6  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (819)
819

>  <Formula> (819)
C23H30O6

>  <MolWeight> (819)
402.4807

>  <Item Name> (819)
Prednisolone acetate (Omnipred)

>  <Catalog Number> (819)
S2570

>  <Synonyms> (819)
Omnipred

>  <Target> (819)
Glucocorticoid Receptor

>  <Form> (819)
Free Base

>  <URL> (819)
http://www.selleckchem.com/products/Prednisolone-acetate-Omnipred.html

>  <CAS Number> (819)
52-21-1

$$$$
Dimethyl Fumarate.cdx
csChFnd80/10101813032D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
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  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (820)
820

>  <Formula> (820)
C6H8O4

>  <MolWeight> (820)
144.12532

>  <Item Name> (820)
Dimethyl Fumarate

>  <Catalog Number> (820)
S2586 

>  <Synonyms> (820)
N/A

>  <Target> (820)
Others

>  <Form> (820)
Free Base

>  <URL> (820)
http://www.selleckchem.com/products/dimethyl-Fumarate.html

>  <CAS Number> (820)
624-49-7

$$$$
Clinofbrate.cdx
csChFnd80/10101813032D

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.9425    6.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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 18  7  1  0  0  0  0
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 31 33  2  0  0  0  0
 29 34  1  0  0  0  0
M  END
>  <Mol_ID> (821)
821

>  <Formula> (821)
C28H36O6

>  <MolWeight> (821)
468.58184

>  <Item Name> (821)
Clinofibrate

>  <Catalog Number> (821)
S2664

>  <Synonyms> (821)
Lipoclin

>  <Target> (821)
RAAS

>  <Form> (821)
Free Base

>  <URL> (821)
http://www.selleckchem.com/products/clinofibrate.html

>  <CAS Number> (821)
30299-08-2

$$$$
GSK1120212.cdx
csChFnd80/10101813032D

 37 41  0  0  0  0  0  0  0  0999 V2000
    3.6289    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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780757-88-2

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>  <Synonyms> (825)
N/A 

>  <Target> (825)
HSP

>  <Form> (825)
Free Base

>  <URL> (825)
http://www.selleckchem.com/products/pf-04929113.html

>  <CAS Number> (825)
908115-27-5

$$$$
ADL5859.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (826)
826

>  <Formula> (826)
C24H29ClN2O3

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428.95166

>  <Item Name> (826)
ADL5859 HCl

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S1139

>  <Synonyms> (826)
N/A 

>  <Target> (826)
Opioid Receptor

>  <Form> (826)
Hydrochloride

>  <URL> (826)
http://www.selleckchem.com/products/ADL-5859.html

>  <CAS Number> (826)
850173-95-4

$$$$
BMY7378.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (827)
827

>  <Formula> (827)
C22H33Cl2N3O3

>  <MolWeight> (827)
458.42172

>  <Item Name> (827)
BMY 7378 Dihydrochloride

>  <Catalog Number> (827)
S2691

>  <Synonyms> (827)
N/A

>  <Target> (827)
5-HT Receptor

>  <Form> (827)
Dihydrochloride

>  <URL> (827)
http://www.selleckchem.com/products/bmy-7378.html

>  <CAS Number> (827)
21102-95-4

$$$$
Ciprofibrate.cdx
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828

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>  <MolWeight> (828)
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>  <Item Name> (828)
Ciprofibrate

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S2665

>  <Synonyms> (828)
N/A

>  <Target> (828)
PPAR

>  <Form> (828)
Free Base

>  <URL> (828)
http://www.selleckchem.com/products/ciprofibrate.html

>  <CAS Number> (828)
52214-84-3

$$$$
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M  END
>  <Mol_ID> (829)
829

>  <Formula> (829)
C32H34Cl2N4O4S

>  <MolWeight> (829)
641.60776

>  <Item Name> (829)
PHA-665752

>  <Catalog Number> (829)
S1070 

>  <Synonyms> (829)
N/A 

>  <Target> (829)
c-Met

>  <Form> (829)
Free Base

>  <URL> (829)
http://www.selleckchem.com/products/PHA-665752.html

>  <CAS Number> (829)
477575-56-7

$$$$
Amoxicillin sodium.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (830)
830

>  <Formula> (830)
C16H18N3NaO5S

>  <MolWeight> (830)
387.38599

>  <Item Name> (830)
Amoxicillin sodium (Amox)

>  <Catalog Number> (830)
S2565

>  <Synonyms> (830)
Amoxycillin 

>  <Target> (830)
Antifection

>  <Form> (830)
Sodium Salt

>  <URL> (830)
http://www.selleckchem.com/products/amoxicillin-(amox).html

>  <CAS Number> (830)
34642-77-8

$$$$
Geldanamycin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (831)
831

>  <Formula> (831)
C29H40N2O9

>  <MolWeight> (831)
560.6359

>  <Item Name> (831)
Geldanamycin

>  <Catalog Number> (831)
S2713

>  <Synonyms> (831)
N/A

>  <Target> (831)
HSP

>  <Form> (831)
Free Base

>  <URL> (831)
http://www.selleckchem.com/products/geldanamycin.html

>  <CAS Number> (831)
30562-34-6

$$$$
A769662.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (832)
832

>  <Formula> (832)
C20H12N2O3S

>  <MolWeight> (832)
360.38588

>  <Item Name> (832)
A-769662

>  <Catalog Number> (832)
S2697

>  <Synonyms> (832)
N/A

>  <Target> (832)
AMPK

>  <Form> (832)
Free Base

>  <URL> (832)
http://www.selleckchem.com/products/a-769662.html

>  <CAS Number> (832)
844499-71-4

$$$$
BRL15572.cdx
csChFnd80/10101813032D

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JAK 

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Free Base

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http://www.selleckchem.com/products/tg-101348.html

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936091-26-8

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>  <Target> (842)
Kinesin

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Free Base

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1124329-14-1

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PI3K, mTOR

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Free Base

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http://www.selleckchem.com/products/ch5132799.html

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1007207-67-1

$$$$
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mTOR, PI3K

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>  <URL> (844)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

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1032754-93-0

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    8.8352    3.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1621    3.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
  1 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 13  1  0  0  0  0
 17 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (845)
845

>  <Formula> (845)
C14H16ClF2N3S

>  <MolWeight> (845)
331.8117464

>  <Item Name> (845)
Nepicastat hydrochloride

>  <Catalog Number> (845)
S2695

>  <Synonyms> (845)
SYN117

>  <Target> (845)
Hydroxylase

>  <Form> (845)
Hydrochloride

>  <URL> (845)
http://www.selleckchem.com/products/nepicastat-hydrochloride.html

>  <CAS Number> (845)
170151-24-3

$$$$
Brompheniramine maleate.cdx
csChFnd80/10101813032D

 27 27  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0538    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.5289    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9496    4.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7414    2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5332    2.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7414    0.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  4  1  0  0  0  0
  1 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  1  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (846)
846

>  <Formula> (846)
C20H23BrN2O4

>  <MolWeight> (846)
435.31162

>  <Item Name> (846)
Brompheniramine hydrogen maleate

>  <Catalog Number> (846)
S2585

>  <Synonyms> (846)
N/A

>  <Target> (846)
Histamine Receptor

>  <Form> (846)
Maleate

>  <URL> (846)
http://www.selleckchem.com/products/brompheniramine.html

>  <CAS Number> (846)
980-71-2

$$$$
CARVEDILOL (carvedilol).cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.0404    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    5.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    6.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6735    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8817    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0900    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2982    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5064    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9229    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1311    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0900    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3393    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5518    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7642    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7642    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5518    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3393    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1311    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9229    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (847)
847

>  <Formula> (847)
C24H26N2O4

>  <MolWeight> (847)
406.47424

>  <Item Name> (847)
Carvedilol

>  <Catalog Number> (847)
S1831

>  <Synonyms> (847)
Coreg, Dilatrend

>  <Target> (847)
Adrenergic Receptor

>  <Form> (847)
Free Base

>  <URL> (847)
http://www.selleckchem.com/products/carvedilol.html

>  <CAS Number> (847)
72956-09-3

$$$$
Phenylephrine hydrochloride.cdx
csChFnd80/10101813032D

 14 13  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    4.0100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1347    3.0188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  1  0  0  0
  8 13  1  6  0  0  0
M  END
>  <Mol_ID> (848)
848

>  <Formula> (848)
C9H14ClNO2

>  <MolWeight> (848)
203.66596

>  <Item Name> (848)
Phenylephrine hydrochloride

>  <Catalog Number> (848)
S2569

>  <Synonyms> (848)
N/A

>  <Target> (848)
Adrenergic Receptor

>  <Form> (848)
Hydrochloride

>  <URL> (848)
http://www.selleckchem.com/products/Phenylephrine-hydrochloride.html

>  <CAS Number> (848)
61-76-7

$$$$
Medroxyprogesterone acetate.cdx
csChFnd80/10101813032D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4162    6.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0019    3.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0946    4.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  5 22  1  1  0  0  0
  9 23  1  1  0  0  0
 12 24  1  1  0  0  0
 10 25  1  6  0  0  0
  7 26  1  6  0  0  0
 11 27  1  6  0  0  0
 17 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (849)
849

>  <Formula> (849)
C24H34O4

>  <MolWeight> (849)
386.52436

>  <Item Name> (849)
Medroxyprogesterone acetate

>  <Catalog Number> (849)
S2567

>  <Synonyms> (849)
Medroxyprogesterone 17-acetate, MPA 

>  <Target> (849)
Estrogen/progestogen Receptor

>  <Form> (849)
Free Base

>  <URL> (849)
http://www.selleckchem.com/products/Medroxyprogesterone-acetate.html

>  <CAS Number> (849)
71-58-9

$$$$
ADONITOL.cdx
csChFnd80/10101813032D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (850)
850

>  <Formula> (850)
C5H12O5

>  <MolWeight> (850)
152.14578

>  <Item Name> (850)
Ribitol (Adonitol)

>  <Catalog Number> (850)
S2612 

>  <Synonyms> (850)
Adonite 
)

>  <Target> (850)
Antifection

>  <Form> (850)
Free Base

>  <URL> (850)
http://www.selleckchem.com/products/ribitol-adonitol.html

>  <CAS Number> (850)
488-81-3 

$$$$

csChFnd80/10101813032D

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M  END
>  <Mol_ID> (851)
851

>  <Formula> (851)
C16H25ClN2O

>  <MolWeight> (851)
296.8355

>  <Item Name> (851)
Ropinirole HCl

>  <Catalog Number> (851)
S3189

>  <Synonyms> (851)
N/A 

>  <Target> (851)
Dopamine Receptor

>  <Form> (851)
HCl

>  <URL> (851)
http://www.selleckchem.com/products/ropinirole-hydrochloride.html

>  <CAS Number> (851)
91374-20-8

$$$$
(+,-)-Octopamine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (852)
852

>  <Formula> (852)
C8H12ClNO2

>  <MolWeight> (852)
189.63938

>  <Item Name> (852)
(+,-)-Octopamine HCl

>  <Catalog Number> (852)
S3188

>  <Synonyms> (852)
N/A 

>  <Target> (852)
Dopamine Receptor

>  <Form> (852)
HCl

>  <URL> (852)
http://www.selleckchem.com/products/octopamine-hcl.html

>  <CAS Number> (852)
770-05-8

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/10101813032D

 30 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (853)
853

>  <Formula> (853)
C21H21Cl2NO5

>  <MolWeight> (853)
438.30114

>  <Item Name> (853)
Flavopiridol (Alvocidib) HCl

>  <Catalog Number> (853)
S2679

>  <Synonyms> (853)
N/A

>  <Target> (853)
CDK

>  <Form> (853)
Hydrochloride

>  <URL> (853)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

>  <CAS Number> (853)
131740-09-5

$$$$
PH797804.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (854)
854

>  <Formula> (854)
C22H19BrF2N2O3

>  <MolWeight> (854)
477.2986664

>  <Item Name> (854)
PH-797804

>  <Catalog Number> (854)
S2726

>  <Synonyms> (854)
N/A

>  <Target> (854)
p38 MAPK

>  <Form> (854)
Free Base

>  <URL> (854)
http://www.selleckchem.com/products/ph-797804.html

>  <CAS Number> (854)
586379-66-0

$$$$
PF299804.cdx
csChFnd80/10101813032D

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EGFR

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264218-23-7

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mTOR 

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1224844-38-5

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M  END
>  <Mol_ID> (860)
860

>  <Formula> (860)
C22H21ClFN3O3S

>  <MolWeight> (860)
461.9368432

>  <Item Name> (860)
MK-5108 (VX-689)

>  <Catalog Number> (860)
S2770

>  <Synonyms> (860)
N/A 

>  <Target> (860)
Aurora Kinase

>  <Form> (860)
Free Base

>  <URL> (860)
http://www.selleckchem.com/products/mk-5108-vx-689.html

>  <CAS Number> (860)
1010085-13-8

$$$$
CP868569.cdx
csChFnd80/10101813032D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (861)
861

>  <Formula> (861)
C26H29N5O2

>  <MolWeight> (861)
443.54076

>  <Item Name> (861)
Crenolanib (CP-868596)

>  <Catalog Number> (861)
S2730 

>  <Synonyms> (861)
N/A 

>  <Target> (861)
PDGFR

>  <Form> (861)
Free Base

>  <URL> (861)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

>  <CAS Number> (861)
670220-88-9

$$$$
Erdosteine.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (862)
862

>  <Formula> (862)
C8H11NO4S2

>  <MolWeight> (862)
249.30724

>  <Item Name> (862)
Erdosteine

>  <Catalog Number> (862)
S1825

>  <Synonyms> (862)
N/A

>  <Target> (862)
Others

>  <Form> (862)
Free Base

>  <URL> (862)
http://www.selleckchem.com/products/erdosteine.html

>  <CAS Number> (862)
84611-23-4 

$$$$
Fenoprofen calcium.cdx
csChFnd80/10101813032D

 37 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (863)
863

>  <Formula> (863)
C30H26CaO6

>  <MolWeight> (863)
522.60184

>  <Item Name> (863)
Fenoprofen calcium

>  <Catalog Number> (863)
S1823 

>  <Synonyms> (863)
Nalfon

>  <Target> (863)
Immunology & Inflammation related

>  <Form> (863)
Calcium salt

>  <URL> (863)
http://www.selleckchem.com/products/fenoprofen-calcium.html

>  <CAS Number> (863)
34597-40-5 

$$$$
BENICAR (olmesartan medoxomil).cdx
csChFnd80/10101813032D

 41 45  0  0  0  0  0  0  0  0999 V2000
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Olmesartan medoxomil (Benicar)

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S1604

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Olmetec 

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RAAS

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Free Base

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http://www.selleckchem.com/products/olmesartan-medoxomil-Benicar.html

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144689-63-4

$$$$
PAC1.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (865)
865

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C23H28N4O2

>  <MolWeight> (865)
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PAC-1

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S2738

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Procaspase activating compound 1

>  <Target> (865)
Caspase

>  <Form> (865)
Free Base

>  <URL> (865)
http://www.selleckchem.com/products/pac-1.html

>  <CAS Number> (865)
315183-21-2

$$$$
Pramipexole.cdx
csChFnd80/10101813032D

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866

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C10H17N3S

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>  <Item Name> (866)
Pramipexole (Mirapex)

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Mirapexin, Sifrol

>  <Target> (866)
Dopamine Receptor

>  <Form> (866)
Free Base

>  <URL> (866)
http://www.selleckchem.com/products/Pramipexole-Mirapex.html

>  <CAS Number> (866)
104632-26-0

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (867)
867

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C20H22ClN3O2

>  <MolWeight> (867)
371.86058

>  <Item Name> (867)
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>  <Catalog Number> (867)
S2627 

>  <Synonyms> (867)
N/A

>  <Target> (867)
HDAC

>  <Form> (867)
Hydrochloride

>  <URL> (867)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

>  <CAS Number> (867)
1310693-92-5

$$$$
AG-1478.cdx
csChFnd80/10101813032D

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868

>  <Formula> (868)
C16H14ClN3O2

>  <MolWeight> (868)
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>  <Item Name> (868)
AG-1478 (Tyrphostin AG-1478)

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S2728

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Tyrphostin AG-1478

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EGFR

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Free Base

>  <URL> (868)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

>  <CAS Number> (868)
153436-53-4

$$$$
PF-04691502.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (869)
869

>  <Formula> (869)
C22H27N5O4

>  <MolWeight> (869)
425.48088

>  <Item Name> (869)
PF-04691502

>  <Catalog Number> (869)
S2743

>  <Synonyms> (869)
N/A

>  <Target> (869)
mTOR, PI3K, Akt

>  <Form> (869)
Free Base

>  <URL> (869)
http://www.selleckchem.com/products/pf-04691502.html

>  <CAS Number> (869)
1013101-36-4 

$$$$
Adenine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (870)
870

>  <Formula> (870)
C5H6ClN5

>  <MolWeight> (870)
171.58764

>  <Item Name> (870)
Adenine hydrochloride

>  <Catalog Number> (870)
S1983

>  <Synonyms> (870)
N/A

>  <Target> (870)
DNA/RNA Synthesis

>  <Form> (870)
Hydrochloride

>  <URL> (870)
http://www.selleckchem.com/products/adenine-hydrochloride.html

>  <CAS Number> (870)
2922-28-3 

$$$$
Benidipine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (871)
871

>  <Formula> (871)
C28H32ClN3O6

>  <MolWeight> (871)
542.02318

>  <Item Name> (871)
Benidipine hydrochloride

>  <Catalog Number> (871)
S2017

>  <Synonyms> (871)
N/A

>  <Target> (871)
calcium channel

>  <Form> (871)
Hydrochloride

>  <URL> (871)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

>  <CAS Number> (871)
91599-74-5

$$$$
Clorsulon.cdx
csChFnd80/10101813032D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (872)
872

>  <Formula> (872)
C8H8Cl3N3O4S2

>  <MolWeight> (872)
380.65582

>  <Item Name> (872)
Clorsulon

>  <Catalog Number> (872)
S2613 

>  <Synonyms> (872)
N/A

>  <Target> (872)
Antifection

>  <Form> (872)
Free Base

>  <URL> (872)
http://www.selleckchem.com/products/clorsulon.html

>  <CAS Number> (872)
60200-06-8

$$$$
RS-127445.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (873)
873

>  <Formula> (873)
C17H16FN3

>  <MolWeight> (873)
281.3274432

>  <Item Name> (873)
RS-127445

>  <Catalog Number> (873)
S2698

>  <Synonyms> (873)
N/A

>  <Target> (873)
5-HT Receptor

>  <Form> (873)
Free Base

>  <URL> (873)
http://www.selleckchem.com/products/rs-127445.html

>  <CAS Number> (873)
199864-87-3

$$$$
Fluticasone propionate.cdx
csChFnd80/10101813032D

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (874)
874

>  <Formula> (874)
C25H31F3O5S

>  <MolWeight> (874)
500.5708496

>  <Item Name> (874)
Fluticasone propionate (Flonase, Veramyst)

>  <Catalog Number> (874)
S1992

>  <Synonyms> (874)
N/A 

>  <Target> (874)
Glucocorticoid Receptor

>  <Form> (874)
Free Base

>  <URL> (874)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

>  <CAS Number> (874)
80474-14-2

$$$$
Formoterol fumarate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (875)
875

>  <Formula> (875)
C42H52N4O12

>  <MolWeight> (875)
804.88188

>  <Item Name> (875)
Formoterol hemifumarate

>  <Catalog Number> (875)
S2020

>  <Synonyms> (875)
N/A

>  <Target> (875)
Adrenergic Receptor

>  <Form> (875)
Hemifumarate

>  <URL> (875)
http://www.selleckchem.com/products/formoterol-hemifumarate.html

>  <CAS Number> (875)
43229-80-7

$$$$
Ketotifen fumarate.cdx
csChFnd80/10101813032D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.2570    3.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (876)
876

>  <Formula> (876)
C23H23NO5S

>  <MolWeight> (876)
425.49742

>  <Item Name> (876)
Ketotifen fumarate (Zaditor)

>  <Catalog Number> (876)
S2024

>  <Synonyms> (876)
N/A 

>  <Target> (876)
Histamine Receptor

>  <Form> (876)
Fumarate 

>  <URL> (876)
http://www.selleckchem.com/products/ketotifen-fumarate-zaditor.html

>  <CAS Number> (876)
34580-14-8

$$$$
Lacidipine.cdx
csChFnd80/10101813032D

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   13.5928    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2977    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5 24  1  0  0  0  0
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 29 31  1  0  0  0  0
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  8 20  1  0  0  0  0
 20 33  2  0  0  0  0
M  END
>  <Mol_ID> (877)
877

>  <Formula> (877)
C26H33NO6

>  <MolWeight> (877)
455.54332

>  <Item Name> (877)
Lacidipine (Lacipil, Motens)

>  <Catalog Number> (877)
S1994

>  <Synonyms> (877)
Lacipil, Motens

>  <Target> (877)
Calcium Channel 

>  <Form> (877)
Free Base

>  <URL> (877)
http://www.selleckchem.com/products/lacidipine-lacipil-motens.html

>  <CAS Number> (877)
103890-78-4

$$$$
MIRTAZAPINE (mirtazapine).cdx
csChFnd80/10101813032D

 20 23  0  0  0  0  0  0  0  0999 V2000
    3.9370    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 16  1  0  0  0  0
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 19  5  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (878)
878

>  <Formula> (878)
C17H19N3

>  <MolWeight> (878)
265.35286

>  <Item Name> (878)
Mirtazapine (Remeron, Avanza)

>  <Catalog Number> (878)
S2016

>  <Synonyms> (878)
N/A 

>  <Target> (878)
5-HT Receptor

>  <Form> (878)
Free Base

>  <URL> (878)
http://www.selleckchem.com/products/mirtazapine-remeron-avanza.html

>  <CAS Number> (878)
85650-52-8 

$$$$
Mometasone furoate.cdx
csChFnd80/10101813032D

 37 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 24  1  6  0  0  0
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 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 33  1  0  0  0  0
M  END
>  <Mol_ID> (879)
879

>  <Formula> (879)
C27H30Cl2O6

>  <MolWeight> (879)
521.4295

>  <Item Name> (879)
Mometasone furoate

>  <Catalog Number> (879)
S1987

>  <Synonyms> (879)
N/A

>  <Target> (879)
Glucocorticoid Receptor

>  <Form> (879)
Furoate

>  <URL> (879)
http://www.selleckchem.com/products/mometasone-furoate.html

>  <CAS Number> (879)
83919-23-7

$$$$
Pidotimod.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.5487    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3119    2.2528    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.6030    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8205    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 12  9  1  6  0  0  0
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M  END
>  <Mol_ID> (880)
880

>  <Formula> (880)
C9H12N2O4S

>  <MolWeight> (880)
244.26758

>  <Item Name> (880)
Pidotimod

>  <Catalog Number> (880)
S3106

>  <Synonyms> (880)
N/A 

>  <Target> (880)
Others

>  <Form> (880)
Free Base

>  <URL> (880)
http://www.selleckchem.com/products/pidotimod.html

>  <CAS Number> (880)
121808-62-6

$$$$
Pyridoxine hydrochloride.cdx
csChFnd80/10101813032D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    5.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  9 10  1  0  0  0  0
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  4 12  1  0  0  0  0
M  END
>  <Mol_ID> (881)
881

>  <Formula> (881)
C8H12ClNO3

>  <MolWeight> (881)
205.63878

>  <Item Name> (881)
Pyridoxine hydrochloride

>  <Catalog Number> (881)
S3113

>  <Synonyms> (881)
N/A 

>  <Target> (881)
Vitamin

>  <Form> (881)
Hydrochloride

>  <URL> (881)
http://www.selleckchem.com/products/pyridoxine-hydrochloride.html

>  <CAS Number> (881)
58-56-0

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/10101813032D

 20 19  0  0  0  0  0  0  0  0999 V2000
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    7.2788    3.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    3.5098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7758    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 12 19  2  0  0  0  0
M  END
>  <Mol_ID> (882)
882

>  <Formula> (882)
C15H25ClN2O2

>  <MolWeight> (882)
300.8242

>  <Item Name> (882)
Tetracaine hydrochloride (Pontocaine)

>  <Catalog Number> (882)
S2573 

>  <Synonyms> (882)
N/A 

>  <Target> (882)
Calcium Channel

>  <Form> (882)
Hydrochloride 

>  <URL> (882)
http://www.selleckchem.com/products/tetracaine-hydrochloride-pontocaine.html

>  <CAS Number> (882)
136-47-0

$$$$
Urapidil hydrochloride.cdx
csChFnd80/10101813032D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.7910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.5983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.6983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.2983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    5.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    0.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    2.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    3.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    4.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7805    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  2  0  0  0  0
  2  9  2  0  0  0  0
  1 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (883)
883

>  <Formula> (883)
C20H30ClN5O3

>  <MolWeight> (883)
423.9369

>  <Item Name> (883)
Urapidil hydrochloride

>  <Catalog Number> (883)
S2025

>  <Synonyms> (883)
N/A

>  <Target> (883)
5-HT Receptor

>  <Form> (883)
Hydrochloride

>  <URL> (883)
http://www.selleckchem.com/products/urapidil-hydrochloride.html

>  <CAS Number> (883)
64887-14-5

$$$$
Albendazole oxide.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8329    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    3.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    3.8182    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    5.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8122    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5097    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8122    0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9049    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6049    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (884)
884

>  <Formula> (884)
C12H15N3O3S

>  <MolWeight> (884)
281.3308

>  <Item Name> (884)
Albendazole Oxide (Ricobendazole)

>  <Catalog Number> (884)
S1836

>  <Synonyms> (884)
N/A 

>  <Target> (884)
Microtubule Associated

>  <Form> (884)
Free Base

>  <URL> (884)
http://www.selleckchem.com/products/albendazole-oxide-ricobendazole.html

>  <CAS Number> (884)
54029-12-8

$$$$
Alibendol.cdx
csChFnd80/10101813032D

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (885)
885

>  <Formula> (885)
C13H17NO4

>  <MolWeight> (885)
251.27838

>  <Item Name> (885)
Alibendol

>  <Catalog Number> (885)
S1928

>  <Synonyms> (885)
N/A

>  <Target> (885)
Others

>  <Form> (885)
Free Base

>  <URL> (885)
http://www.selleckchem.com/products/alibendol.html

>  <CAS Number> (885)
26750-81-2

$$$$
Aspartame.cdx
csChFnd80/10101813032D

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8582    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.4049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4955    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 13  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (886)
886

>  <Formula> (886)
C14H18N2O5

>  <MolWeight> (886)
294.30312

>  <Item Name> (886)
Aspartame

>  <Catalog Number> (886)
S2036

>  <Synonyms> (886)
Nutrasweet

>  <Target> (886)
Others

>  <Form> (886)
Free Base

>  <URL> (886)
http://www.selleckchem.com/products/aspartame.html

>  <CAS Number> (886)
22839-47-0

$$$$
Bifonazole.cdx
csChFnd80/10101813032D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7657    7.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331    8.4447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    8.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    7.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
  8 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  8  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (887)
887

>  <Formula> (887)
C22H18N2

>  <MolWeight> (887)
310.39172

>  <Item Name> (887)
Bifonazole

>  <Catalog Number> (887)
S1854

>  <Synonyms> (887)
N/A

>  <Target> (887)
Antifection

>  <Form> (887)
Free Base

>  <URL> (887)
http://www.selleckchem.com/products/bifonazole.html

>  <CAS Number> (887)
60628-96-8

$$$$
Butoconazole nitrate.cdx
csChFnd80/10101813032D

 29 30  0  0  0  0  0  0  0  0999 V2000
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    6.0622    4.9707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1159    9.8659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (888)
888

>  <Formula> (888)
C19H18Cl3N3O3S

>  <MolWeight> (888)
474.78852

>  <Item Name> (888)
Butoconazole nitrate

>  <Catalog Number> (888)
S1833

>  <Synonyms> (888)
N/A

>  <Target> (888)
Antifection

>  <Form> (888)
Nitrate

>  <URL> (888)
http://www.selleckchem.com/products/butoconazole-nitrate.html

>  <CAS Number> (888)
64872-77-1

$$$$
Ganciclovir.cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7875    2.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  6  1  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  7 11  1  0  0  0  0
  6 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (889)
889

>  <Formula> (889)
C9H13N5O4

>  <MolWeight> (889)
255.23062

>  <Item Name> (889)
Ganciclovir

>  <Catalog Number> (889)
S1878

>  <Synonyms> (889)
Cytovene

>  <Target> (889)
Antifection

>  <Form> (889)
Free Base

>  <URL> (889)
http://www.selleckchem.com/products/ganciclovir.html

>  <CAS Number> (889)
82410-32-0

$$$$
Phentolamine mesilate.cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  1  0  0  0  0
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 15  3  1  0  0  0  0
  7 16  1  0  0  0  0
 13 17  1  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 21  5  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (890)
890

>  <Formula> (890)
C18H23N3O4S

>  <MolWeight> (890)
377.45792

>  <Item Name> (890)
Phentolamine Mesylate 

>  <Catalog Number> (890)
S2038

>  <Synonyms> (890)
Regitine

>  <Target> (890)
adrenergic receptor

>  <Form> (890)
Mesylate 

>  <URL> (890)
http://www.selleckchem.com/products/phentolamine-mesilate.html

>  <CAS Number> (890)
65-28-1

$$$$
Sulphadimethoxine.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.0538    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.0903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1480    0.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 11  2  0  0  0  0
 11  4  1  0  0  0  0
  2 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16  2  1  0  0  0  0
  9 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (891)
891

>  <Formula> (891)
C12H14N4O4S

>  <MolWeight> (891)
310.32896

>  <Item Name> (891)
Sulphadimethoxine

>  <Catalog Number> (891)
S1962

>  <Synonyms> (891)
Di-Methox, Albon

>  <Target> (891)
Antifection

>  <Form> (891)
Free Base

>  <URL> (891)
http://www.selleckchem.com/products/sulphadimethoxine.html

>  <CAS Number> (891)
122-11-2

$$$$
Uridine.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.6315    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6315    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    5.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    1.5604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4233    2.9579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1443    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    2.4870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9075    1.2745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.8200    2.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13  9  1  0  0  0  0
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 13 17  1  6  0  0  0
M  END
>  <Mol_ID> (892)
892

>  <Formula> (892)
C9H12N2O6

>  <MolWeight> (892)
244.20138

>  <Item Name> (892)
Uridine

>  <Catalog Number> (892)
S2029

>  <Synonyms> (892)
N/A

>  <Target> (892)
DNA/RNA Synthesis

>  <Form> (892)
Free Base

>  <URL> (892)
http://www.selleckchem.com/products/uridine.html

>  <CAS Number> (892)
58-96-8

$$$$
ENALAPRILAT (enalaprilat).cdx
csChFnd80/10101813032D

 27 26  0  0  0  0  0  0  0  0999 V2000
    7.0393    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0393    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2517    0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4642    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4642    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2517    2.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6724    2.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0889    2.8700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0889    4.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    4.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2971    4.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3013    2.1700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5137    2.8700    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7262    2.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5137    4.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9344    2.8676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7262    0.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2134    2.2982    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.1502    3.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4502    4.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0807    4.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5034    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4666    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8303    0.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1920    2.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7921    2.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 15 17  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (893)
893

>  <Formula> (893)
C18H28N2O7

>  <MolWeight> (893)
384.42412

>  <Item Name> (893)
Enalaprilat dihydrate

>  <Catalog Number> (893)
S1657

>  <Synonyms> (893)
N/A

>  <Target> (893)
RAAS

>  <Form> (893)
Dihydrate

>  <URL> (893)
http://www.selleckchem.com/products/Enalaprilat.html

>  <CAS Number> (893)
84680-54-6 

$$$$
Cefoperazone acid.cdx
csChFnd80/10101813032D

 45 49  0  0  0  0  0  0  0  0999 V2000
    5.8404   11.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4240   11.7324    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157   12.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694   13.8223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   12.9009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6518   12.7189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9994    9.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9590    6.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  6  1  2  0  0  0  0
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 39 25  1  0  0  0  0
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  4 45  1  6  0  0  0
M  END
>  <Mol_ID> (894)
894

>  <Formula> (894)
C25H27N9O8S2

>  <MolWeight> (894)
645.66738

>  <Item Name> (894)
Cefoperazone (Cefobid)

>  <Catalog Number> (894)
S1611

>  <Synonyms> (894)
N/A 

>  <Target> (894)
Antifection

>  <Form> (894)
Free Base

>  <URL> (894)
http://www.selleckchem.com/products/cefoperazone-cefobid.html

>  <CAS Number> (894)
62893-19-0

$$$$
Acemetacin.cdx
csChFnd80/10101813032D

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.6139    8.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6139    6.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4812    6.1728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9139    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3139    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7465    6.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2139    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9139    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3139    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  2  2  0  0  0  0
  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (895)
895

>  <Formula> (895)
C21H18ClNO6

>  <MolWeight> (895)
415.82372

>  <Item Name> (895)
Acemetacin (Emflex)

>  <Catalog Number> (895)
S2602

>  <Synonyms> (895)
N/A 

>  <Target> (895)
COX

>  <Form> (895)
Free Base

>  <URL> (895)
http://www.selleckchem.com/products/acemetacin-emflex.html

>  <CAS Number> (895)
53164-05-9

$$$$
NATACYN (natamycin).cdx
csChFnd80/10101813032D

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
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 31 36  1  6  0  0  0
 33 37  1  6  0  0  0
 35 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
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 42 35  1  0  0  0  0
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 48 13  1  0  0  0  0
 41 49  1  6  0  0  0
 30 50  1  6  0  0  0
 50 31  1  0  0  0  0
M  END
>  <Mol_ID> (896)
896

>  <Formula> (896)
C33H47NO13

>  <MolWeight> (896)
665.72518

>  <Item Name> (896)
Natamycin

>  <Catalog Number> (896)
S1517

>  <Synonyms> (896)
Pimaricin

>  <Target> (896)
Antifection

>  <Form> (896)
Free Base

>  <URL> (896)
http://www.selleckchem.com/products/Natamycin(Pimaricin).htm

>  <CAS Number> (896)
7681-93-8

$$$$
Nystatin (Fungicidin).cdx
csChFnd80/10101813032D

 67 69  0  0  0  0  0  0  0  0999 V2000
    2.4207    9.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3326   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7575   10.4879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3948    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1823   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6072    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.8196    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8196    9.7879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6072   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4207    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6953    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1201    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1823    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3948    5.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.6072    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0279   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575   11.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3948   11.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   24.2361    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  6  0  0  0
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 11 10  1  1  0  0  0
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 27 22  1  0  0  0  0
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 41 42  2  0  0  0  0
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 44 24  1  0  0  0  0
 32 45  2  0  0  0  0
 45 33  1  0  0  0  0
  1 46  1  6  0  0  0
 29 47  1  6  0  0  0
 26 48  1  6  0  0  0
 28 49  1  1  0  0  0
 20 50  1  1  0  0  0
 22 51  1  1  0  0  0
 25 52  1  1  0  0  0
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 24 67  1  1  0  0  0
M  END
>  <Mol_ID> (897)
897

>  <Formula> (897)
C47H75NO17

>  <MolWeight> (897)
926.0949

>  <Item Name> (897)
Nystatin (Fungicidin)

>  <Catalog Number> (897)
S1934

>  <Synonyms> (897)
N/A

>  <Target> (897)
Others

>  <Form> (897)
Free Base

>  <URL> (897)
http://www.selleckchem.com/products/Nystatin(Mycostatin).htm

>  <CAS Number> (897)
1400-61-9

$$$$
Buflomedil hydrochloride.cdx
csChFnd80/10101813032D

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
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 13 14  2  0  0  0  0
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 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (898)
898

>  <Formula> (898)
C17H26ClNO4

>  <MolWeight> (898)
343.84564

>  <Item Name> (898)
Buflomedil HCl

>  <Catalog Number> (898)
S2607

>  <Synonyms> (898)
N/A

>  <Target> (898)
Adrenergic Receptor

>  <Form> (898)
Hydrochloride

>  <URL> (898)
http://www.selleckchem.com/products/auflomedil-hcl.html

>  <CAS Number> (898)
35543-24-9

$$$$
Clobetasol propionate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (899)
899

>  <Formula> (899)
C25H32ClFO5

>  <MolWeight> (899)
466.9699832

>  <Item Name> (899)
Clobetasol propionate

>  <Catalog Number> (899)
S2584

>  <Synonyms> (899)
N/A

>  <Target> (899)
Glucocorticoid Receptor

>  <Form> (899)
Free Base

>  <URL> (899)
http://www.selleckchem.com/products/clobetasol-propionate.html

>  <CAS Number> (899)
25122-46-7

$$$$
Lonidamine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (900)
900

>  <Formula> (900)
C15H10Cl2N2O2

>  <MolWeight> (900)
321.1581

>  <Item Name> (900)
Lonidamine

>  <Catalog Number> (900)
S2610

>  <Synonyms> (900)
N/A

>  <Target> (900)
Others

>  <Form> (900)
Free Base

>  <URL> (900)
http://www.selleckchem.com/products/lonidamine.html

>  <CAS Number> (900)
50264-69-2

$$$$
L-Thyroxine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (901)
901

>  <Formula> (901)
C15H11I4NO4

>  <MolWeight> (901)
776.87002

>  <Item Name> (901)
L-Thyroxine

>  <Catalog Number> (901)
S2599

>  <Synonyms> (901)
N/A

>  <Target> (901)
Others

>  <Form> (901)
Free Base

>  <URL> (901)
http://www.selleckchem.com/products/l-thyroxine.html

>  <CAS Number> (901)
51-48-9

$$$$
Miglitol.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (902)
902

>  <Formula> (902)
C8H17NO5

>  <MolWeight> (902)
207.22428

>  <Item Name> (902)
Miglitol (Glyset)

>  <Catalog Number> (902)
S2589

>  <Synonyms> (902)
N/A 

>  <Target> (902)
Others

>  <Form> (902)
Free Base

>  <URL> (902)
http://www.selleckchem.com/products/miglitol-glyset.html

>  <CAS Number> (902)
72432-03-2

$$$$
Phenacetin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (903)
903

>  <Formula> (903)
C10H13NO2

>  <MolWeight> (903)
179.21572

>  <Item Name> (903)
Phenacetin

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S2577

>  <Synonyms> (903)
N/A

>  <Target> (903)
COX

>  <Form> (903)
Free Base

>  <URL> (903)
http://www.selleckchem.com/products/phenacetin.html

>  <CAS Number> (903)
62-44-2

$$$$
Pioglitazone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (904)
904

>  <Formula> (904)
C19H20N2O3S

>  <MolWeight> (904)
356.4387

>  <Item Name> (904)
Pioglitazone (Actos)

>  <Catalog Number> (904)
S2590

>  <Synonyms> (904)
N/A 

>  <Target> (904)
PPAR

>  <Form> (904)
Free Base

>  <URL> (904)
http://www.selleckchem.com/products/pioglitazone-actos.html

>  <CAS Number> (904)
111025-46-8

$$$$
Tetracycline hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (905)
905

>  <Formula> (905)
C22H25ClN2O8

>  <MolWeight> (905)
480.8955

>  <Item Name> (905)
Tetracycline hydrochloride

>  <Catalog Number> (905)
S2574 

>  <Synonyms> (905)
N/A

>  <Target> (905)
Antifection

>  <Form> (905)
Hydrochloride

>  <URL> (905)
http://www.selleckchem.com/products/tetracycline-hydrochloride.html

>  <CAS Number> (905)
64-75-5

$$$$
Thiamphenicol.cdx
csChFnd80/10101813032D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (906)
906

>  <Formula> (906)
C12H15Cl2NO5S

>  <MolWeight> (906)
356.2222

>  <Item Name> (906)
Thiamphenicol (Thiophenicol)

>  <Catalog Number> (906)
S2583

>  <Synonyms> (906)
N/A 

>  <Target> (906)
Antifection

>  <Form> (906)
Free Base

>  <URL> (906)
http://www.selleckchem.com/products/thiamphenicol-thiophenicol.html

>  <CAS Number> (906)
15318-45-3

$$$$
Tolfenamic acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (907)
907

>  <Formula> (907)
C14H12ClNO2

>  <MolWeight> (907)
261.70358

>  <Item Name> (907)
Tolfenamic acid

>  <Catalog Number> (907)
S1959

>  <Synonyms> (907)
N/A

>  <Target> (907)
COX

>  <Form> (907)
Free Base

>  <URL> (907)
http://www.selleckchem.com/products/tolfenamic-acid.html

>  <CAS Number> (907)
13710-19-5

$$$$
Tolvaptan.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (908)
908

>  <Formula> (908)
C26H25ClN2O3

>  <MolWeight> (908)
448.9413

>  <Item Name> (908)
Tolvaptan (OPC-41061)

>  <Catalog Number> (908)
S2593

>  <Synonyms> (908)
Samsca 

>  <Target> (908)
Estrogen/progestogen Receptor

>  <Form> (908)
Free Base

>  <URL> (908)
http://www.selleckchem.com/products/tolvaptan-opc-41061.html

>  <CAS Number> (908)
150683-30-0

$$$$
Zidovudine.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (909)
909

>  <Formula> (909)
C10H13N5O4

>  <MolWeight> (909)
267.24132

>  <Item Name> (909)
Zidovudine (Retrovir)

>  <Catalog Number> (909)
S2579

>  <Synonyms> (909)
azidothymidine

>  <Target> (909)
Reverse Transcriptase

>  <Form> (909)
Free Base

>  <URL> (909)
http://www.selleckchem.com/products/zidovudine-retrovir.html

>  <CAS Number> (909)
30516-87-1

$$$$
10-DAB.cdx
csChFnd80/10101813032D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (910)
910

>  <Formula> (910)
C29H36O10

>  <MolWeight> (910)
544.59014

>  <Item Name> (910)
10-DAB (10-Deacetylbaccatin)

>  <Catalog Number> (910)
S2409

>  <Synonyms> (910)
N/A 

>  <Target> (910)
Others

>  <Form> (910)
Free Base

>  <URL> (910)
http://www.selleckchem.com/products/10-dab-10-deacetylbaccatin.html

>  <CAS Number> (910)
32981-86-5

$$$$
Cephalomannine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (911)
911

>  <Formula> (911)
C45H53NO14

>  <MolWeight> (911)
831.90062

>  <Item Name> (911)
Cephalomannine

>  <Catalog Number> (911)
S2408

>  <Synonyms> (911)
N/A

>  <Target> (911)
Others

>  <Form> (911)
Free Base

>  <URL> (911)
http://www.selleckchem.com/products/cephalomannine.html

>  <CAS Number> (911)
71610-00-9

$$$$
Genipin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (912)
912

>  <Formula> (912)
C11H14O5

>  <MolWeight> (912)
226.22586

>  <Item Name> (912)
Genipin

>  <Catalog Number> (912)
S2412

>  <Synonyms> (912)
N/A

>  <Target> (912)
Others

>  <Form> (912)
Free Base

>  <URL> (912)
http://www.selleckchem.com/products/genipin.html

>  <CAS Number> (912)
6902-77-8

$$$$
Geniposide.cdx
csChFnd80/10101813032D

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>  <Synonyms> (913)
N/A

>  <Target> (913)
Others

>  <Form> (913)
Free Base

>  <URL> (913)
http://www.selleckchem.com/products/geniposide.html

>  <CAS Number> (913)
24512-63-8

$$$$
Geniposidic acid.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (914)
914

>  <Formula> (914)
C16H22O10

>  <MolWeight> (914)
374.33988

>  <Item Name> (914)
Geniposidic acid

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S2413

>  <Synonyms> (914)
N/A

>  <Target> (914)
Immunology & Inflammation related

>  <Form> (914)
Free Base

>  <URL> (914)
http://www.selleckchem.com/products/geniposidic-acid.html

>  <CAS Number> (914)
27741-01-1

$$$$
Gliclazide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (915)
915

>  <Formula> (915)
C15H21N3O3S

>  <MolWeight> (915)
323.41054

>  <Item Name> (915)
Gliclazide (Diamicron)

>  <Catalog Number> (915)
S2601 

>  <Synonyms> (915)
N/A 

>  <Target> (915)
Potassium Channel

>  <Form> (915)
Free Base

>  <URL> (915)
http://www.selleckchem.com/products/gliclazide-diamicron.html

>  <CAS Number> (915)
21187-98-4

$$$$
Idebenone.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (916)
916

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C19H30O5

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>  <Item Name> (916)
Idebenone

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>  <Synonyms> (916)
N/A

>  <Target> (916)
ROS

>  <Form> (916)
Free Base

>  <URL> (916)
http://www.selleckchem.com/products/idebenone.html

>  <CAS Number> (916)
58186-27-9

$$$$
Paeoniflorin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (917)
917

>  <Formula> (917)
C23H28O11

>  <MolWeight> (917)
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>  <Item Name> (917)
Paeoniflorin

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>  <Synonyms> (917)
N/A

>  <Target> (917)
Others

>  <Form> (917)
Free Base

>  <URL> (917)
http://www.selleckchem.com/products/paeoniflorin.html

>  <CAS Number> (917)
23180-57-6 

$$$$
Quinapril hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (918)
918

>  <Formula> (918)
C25H31ClN2O5

>  <MolWeight> (918)
474.97704

>  <Item Name> (918)
Quinapril hydrochloride (Accupril)

>  <Catalog Number> (918)
S2581

>  <Synonyms> (918)
N/A 

>  <Target> (918)
RAAS

>  <Form> (918)
Hydrochloride

>  <URL> (918)
http://www.selleckchem.com/products/quinapril-hydrochloride-accupril.html

>  <CAS Number> (918)
82586-55-8

$$$$
Scopine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (919)
919

>  <Formula> (919)
C8H13NO2

>  <MolWeight> (919)
155.19432

>  <Item Name> (919)
Scopine

>  <Catalog Number> (919)
S2545

>  <Synonyms> (919)
N/A

>  <Target> (919)
Adrenergic Receptor

>  <Form> (919)
Free Base

>  <URL> (919)
http://www.selleckchem.com/products/scopine.html

>  <CAS Number> (919)
498-45-3

$$$$
Atracurium besylate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (920)
920

>  <Formula> (920)
C65H82N2O18S2

>  <MolWeight> (920)
1243.47918

>  <Item Name> (920)
Atracurium besylate

>  <Catalog Number> (920)
S1832

>  <Synonyms> (920)
N/A

>  <Target> (920)
AChR

>  <Form> (920)
Dibesylate

>  <URL> (920)
http://www.selleckchem.com/products/atracurium-besylate.html

>  <CAS Number> (920)
64228-81-5

$$$$
Captopril.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.8903    4.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3229    3.5575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.4000    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 11 14  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
>  <Mol_ID> (921)
921

>  <Formula> (921)
C9H15NO3S

>  <MolWeight> (921)
217.2853

>  <Item Name> (921)
Captopril (Capoten)

>  <Catalog Number> (921)
S2051

>  <Synonyms> (921)
N/A 

>  <Target> (921)
RAAS

>  <Form> (921)
Free Base

>  <URL> (921)
http://www.selleckchem.com/products/captopril-capoten.html

>  <CAS Number> (921)
62571-86-2

$$$$
Cyproheptadine hydrochloride.cdx
csChFnd80/10101813032D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.9370    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    6.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  8  1  0  0  0  0
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 15 16  2  0  0  0  0
 16  4  1  0  0  0  0
  2 17  1  0  0  0  0
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 18 19  1  0  0  0  0
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 21  2  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (922)
922

>  <Formula> (922)
C21H22ClN

>  <MolWeight> (922)
323.85908

>  <Item Name> (922)
Cyproheptadine hydrochloride (Periactin)

>  <Catalog Number> (922)
S2044

>  <Synonyms> (922)
N/A 

>  <Target> (922)
Histamine Receptor

>  <Form> (922)
Hydrochloride

>  <URL> (922)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride-periactin.html

>  <CAS Number> (922)
969-33-5 

$$$$
Cyproterone acetate.cdx
csChFnd80/10101813032D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    7.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    5.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4225    6.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  7 18  1  0  0  0  0
  2 19  2  0  0  0  0
  1 20  1  6  0  0  0
  6 20  1  6  0  0  0
 10 21  1  6  0  0  0
 11 22  1  6  0  0  0
  5 23  1  1  0  0  0
  9 24  1  1  0  0  0
 12 25  1  1  0  0  0
 17 26  1  1  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 17 29  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (923)
923

>  <Formula> (923)
C24H29ClO4

>  <MolWeight> (923)
416.93766

>  <Item Name> (923)
Cyproterone acetate

>  <Catalog Number> (923)
S2042

>  <Synonyms> (923)
N/A

>  <Target> (923)
Androgen Receptor/P450

>  <Form> (923)
Free Base

>  <URL> (923)
http://www.selleckchem.com/products/cyproterone-acetate.html

>  <CAS Number> (923)
427-51-0

$$$$
Cytidine.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.3789    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3789    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5914    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8038    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8038    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5914    5.7555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1707    5.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120    5.7531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1707    2.9579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8917    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6550    1.2745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0244    1.5656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    3.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13  9  1  0  0  0  0
 11 14  1  1  0  0  0
 12 15  1  6  0  0  0
 13 16  1  6  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (924)
924

>  <Formula> (924)
C9H13N3O5

>  <MolWeight> (924)
243.21662

>  <Item Name> (924)
Cytidine

>  <Catalog Number> (924)
S2053

>  <Synonyms> (924)
N/A

>  <Target> (924)
Others

>  <Form> (924)
Free Base

>  <URL> (924)
http://www.selleckchem.com/products/cytidine.html

>  <CAS Number> (924)
65-46-3

$$$$
Doxifluridine.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    3.6233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    4.6637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3571    5.8761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9877    5.5850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4446    4.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
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 10  5  1  1  0  0  0
 10 11  1  0  0  0  0
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 14 16  1  6  0  0  0
 13 17  1  6  0  0  0
M  END
>  <Mol_ID> (925)
925

>  <Formula> (925)
C9H11FN2O5

>  <MolWeight> (925)
246.1924432

>  <Item Name> (925)
Doxifluridine

>  <Catalog Number> (925)
S2045

>  <Synonyms> (925)
N/A

>  <Target> (925)
Phosphorylase

>  <Form> (925)
Free Base

>  <URL> (925)
http://www.selleckchem.com/products/doxifluridine.html

>  <CAS Number> (925)
3094-09-5

$$$$
Gimeracil.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (926)
926

>  <Formula> (926)
C5H4ClNO2

>  <MolWeight> (926)
145.54376

>  <Item Name> (926)
Gimeracil

>  <Catalog Number> (926)
S2055

>  <Synonyms> (926)
N/A

>  <Target> (926)
Dehydrogenase

>  <Form> (926)
Free Base

>  <URL> (926)
http://www.selleckchem.com/products/gimeracil.html

>  <CAS Number> (926)
103766-25-2

$$$$
Memantine HCl.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    8.3216    0.9987    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    1.2124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6476    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937    0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7019    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    0.8513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 11  1  0  0  0  0
 11 10  1  0  0  0  0
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  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (927)
927

>  <Formula> (927)
C12H22ClN

>  <MolWeight> (927)
215.76278

>  <Item Name> (927)
Memantine hydrochloride (Namenda)

>  <Catalog Number> (927)
S2043

>  <Synonyms> (927)
N/A 

>  <Target> (927)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (927)
Hydrochloride

>  <URL> (927)
http://www.selleckchem.com/products/memantine-hydrochloride-namenda.html

>  <CAS Number> (927)
41100-52-1

$$$$
Metoprolol tartrate.cdx
csChFnd80/10101813032D

 48 47  0  0  0  0  0  0  0  0999 V2000
   23.1152    4.7707    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.3318    5.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  4  7  1  0  0  0  0
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 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 23 29  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
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 43 44  1  0  0  0  0
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 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 42 48  1  0  0  0  0
M  END
>  <Mol_ID> (928)
928

>  <Formula> (928)
C34H56N2O12

>  <MolWeight> (928)
684.81464

>  <Item Name> (928)
Metoprolol tartrate

>  <Catalog Number> (928)
S1856

>  <Synonyms> (928)
N/A

>  <Target> (928)
Adrenergic Receptor

>  <Form> (928)
Tartrate

>  <URL> (928)
http://www.selleckchem.com/products/metoprolol-tartrate.html

>  <CAS Number> (928)
392-17-7

$$$$
Nimesulide.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9879    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9100    8.1961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  3 14  1  0  0  0  0
  9 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  9  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (929)
929

>  <Formula> (929)
C13H12N2O5S

>  <MolWeight> (929)
308.30978

>  <Item Name> (929)
Nimesulide

>  <Catalog Number> (929)
S2040

>  <Synonyms> (929)
N/A

>  <Target> (929)
COX

>  <Form> (929)
Free Base

>  <URL> (929)
http://www.selleckchem.com/products/nimesulide.html

>  <CAS Number> (929)
51803-78-2

$$$$
Noradrenaline bitartrate.cdx
csChFnd80/10101813032D

 26 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6082    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  1  0  0  0
  9 13  1  6  0  0  0
 14 15  1  0  0  0  0
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 19 21  2  0  0  0  0
 16 22  1  1  0  0  0
 18 23  1  1  0  0  0
 18 24  1  6  0  0  0
 16 25  1  6  0  0  0
M  END
>  <Mol_ID> (930)
930

>  <Formula> (930)
C12H19NO10

>  <MolWeight> (930)
337.27996

>  <Item Name> (930)
Noradrenaline bitartrate monohydrate (Levoph

>  <Catalog Number> (930)
S2615

>  <Synonyms> (930)
N/A 

>  <Target> (930)
Adrenergic Receptor

>  <Form> (930)
bitartrate monohydrate

>  <URL> (930)
http://www.selleckchem.com/products/noradrenaline-bitartrate-monohydrate-levophed.html

>  <CAS Number> (930)
108341-18-0

$$$$
Orphenadrine citrate.cdx
csChFnd80/10101813032D

 33 33  0  0  0  0  0  0  0  0999 V2000
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    2.8098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.2873    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8341    2.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7719    4.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (931)
931

>  <Formula> (931)
C24H31NO8

>  <MolWeight> (931)
461.50484

>  <Item Name> (931)
Orphenadrine citrate (Norflex)

>  <Catalog Number> (931)
S2054

>  <Synonyms> (931)
N/A 

>  <Target> (931)
AChR

>  <Form> (931)
Citrate

>  <URL> (931)
http://www.selleckchem.com/products/orphenadrine-citrate-norflex.html

>  <CAS Number> (931)
4682-36-4

$$$$
Oxytetracycline dihydrate.cdx
csChFnd80/10101813032D

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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (932)
932

>  <Formula> (932)
C22H28N2O11

>  <MolWeight> (932)
496.46452

>  <Item Name> (932)
Oxytetracycline dihydrate

>  <Catalog Number> (932)
S2052 

>  <Synonyms> (932)
N/A

>  <Target> (932)
Others

>  <Form> (932)
Dihydrate

>  <URL> (932)
http://www.selleckchem.com/products/oxytetracycline-dihydrate.html

>  <CAS Number> (932)
6153-64-6

$$$$
Pioglitazone hydrochloride.cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (933)
933

>  <Formula> (933)
C19H21ClN2O3S

>  <MolWeight> (933)
392.89964

>  <Item Name> (933)
Pioglitazone hydrochloride (Actos)

>  <Catalog Number> (933)
S2046

>  <Synonyms> (933)
N/A 

>  <Target> (933)
P450 (e.g. CYP17)

>  <Form> (933)
Hydrochloride

>  <URL> (933)
http://www.selleckchem.com/products/pioglitazone-hydrochloride-actos.html

>  <CAS Number> (933)
112529-15-4

$$$$
Pramiracetam.cdx
csChFnd80/10101813032D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 18 14  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (934)
934

>  <Formula> (934)
C14H27N3O2

>  <MolWeight> (934)
269.38308

>  <Item Name> (934)
Pramiracetam

>  <Catalog Number> (934)
S2594

>  <Synonyms> (934)
N/A

>  <Target> (934)
Others

>  <Form> (934)
Free Base

>  <URL> (934)
http://www.selleckchem.com/products/pramiracetam.html

>  <CAS Number> (934)
68497-62-1

$$$$
TZ-3 (tioconazole)cdx.cdx
csChFnd80/10101813032D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.6280    6.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (935)
935

>  <Formula> (935)
C16H13Cl3N2OS

>  <MolWeight> (935)
387.71122

>  <Item Name> (935)
Tioconazole

>  <Catalog Number> (935)
S1910

>  <Synonyms> (935)
N/A

>  <Target> (935)
Antifection

>  <Form> (935)
Free Base

>  <URL> (935)
http://www.selleckchem.com/products/tioconazole.html

>  <CAS Number> (935)
65899-73-2

$$$$
Valaciclovir hydrochloride.cdx
csChFnd80/10101813032D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (936)
936

>  <Formula> (936)
C13H21ClN6O4

>  <MolWeight> (936)
360.79664

>  <Item Name> (936)
Valaciclovir HCl

>  <Catalog Number> (936)
S1876

>  <Synonyms> (936)
N/A

>  <Target> (936)
Antifection

>  <Form> (936)
Hydrochloride

>  <URL> (936)
http://www.selleckchem.com/products/valaciclovir-hcl.html

>  <CAS Number> (936)
124832-27-5 

$$$$

csChFnd80/10101813032D

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M  END
>  <Mol_ID> (937)
937

>  <Formula> (937)
C58H66O15S2

>  <MolWeight> (937)
1067.26564

>  <Item Name> (937)
TAK-875

>  <Catalog Number> (937)
S2637

>  <Synonyms> (937)
N/A

>  <Target> (937)
GPR 

>  <Form> (937)
Hydrate

>  <URL> (937)
http://www.selleckchem.com/products/tak-875.html

>  <CAS Number> (937)
1374598-80-7

$$$$
AMG 458.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (938)
938

>  <Formula> (938)
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CETP

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>  <Mol_ID> (942)
942

>  <Formula> (942)
C15H17FN4O3

>  <MolWeight> (942)
320.3188832

>  <Item Name> (942)
Enoxacin (Penetrex)

>  <Catalog Number> (942)
S1756

>  <Synonyms> (942)
Almitil, Bactidan, Bactidron, Comprecin, Enoksetin, Enoxen, Enroxil, Enoxin, Enoxor, Flumark, Gyrami 

>  <Target> (942)
Topoisomerase

>  <Form> (942)
Free Base

>  <URL> (942)
http://www.selleckchem.com/products/Enoxacin(Penetrex).html

>  <CAS Number> (942)
74011-58-8

$$$$
CAPITAL SOLEIL 15 (avobenzone ).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (943)
943

>  <Formula> (943)
C20H22O3

>  <MolWeight> (943)
310.38688

>  <Item Name> (943)
Avobenzone (Parsol 1789)

>  <Catalog Number> (943)
S1904

>  <Synonyms> (943)
Eusolex 9020, Escalol 517, Parsol 1789 

>  <Target> (943)
Others

>  <Form> (943)
Free Base

>  <URL> (943)
http://www.selleckchem.com/products/Avobenzone(Parsol-1789).html

>  <CAS Number> (943)
70356-09-1

$$$$
AT13387.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (944)
944

>  <Formula> (944)
C24H31N3O3

>  <MolWeight> (944)
409.52124

>  <Item Name> (944)
Onalespib (AT13387)

>  <Catalog Number> (944)
S1163

>  <Synonyms> (944)
N/A

>  <Target> (944)
HSP

>  <Form> (944)
Free Base

>  <URL> (944)
http://www.selleckchem.com/products/at13387.html

>  <CAS Number> (944)
912999-49-6

$$$$
AZ628.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (945)
945

>  <Formula> (945)
C27H25N5O2

>  <MolWeight> (945)
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>  <Item Name> (945)
AZ628

>  <Catalog Number> (945)
S2746

>  <Synonyms> (945)
N/A

>  <Target> (945)
Raf 

>  <Form> (945)
Free Base

>  <URL> (945)
http://www.selleckchem.com/products/az628.html

>  <CAS Number> (945)
878739-06-1

$$$$
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950

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S1158

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N/A

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Dehydrogenase

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Free Base

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http://www.selleckchem.com/products/mk-8245.html

>  <CAS Number> (950)
1030612-90-8

$$$$
NVP-BGT226.cdx
csChFnd80/10101813032D

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951

>  <Formula> (951)
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>  <Item Name> (951)
NVP-BGT226

>  <Catalog Number> (951)
S2749

>  <Synonyms> (951)
N/A 

>  <Target> (951)
PI3K, mTOR

>  <Form> (951)
Maleate

>  <URL> (951)
http://www.selleckchem.com/products/nvp-bgt226.html

>  <CAS Number> (951)
1245537-68-1

$$$$
PA-824.cdx
csChFnd80/10101813032D

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952

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>  <Item Name> (952)
PA-824

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S1162

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N/A

>  <Target> (952)
Antifection

>  <Form> (952)
Free Base

>  <URL> (952)
http://www.selleckchem.com/products/pa-824.html

>  <CAS Number> (952)
187235-37-6

$$$$
YM201636.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (953)
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>  <Formula> (953)
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>  <Synonyms> (953)
N/A

>  <Target> (953)
PI3K 

>  <Form> (953)
Free Base

>  <URL> (953)
http://www.selleckchem.com/products/ym201636.html

>  <CAS Number> (953)
371942-69-7

$$$$
AG1024.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (954)
954

>  <Formula> (954)
C14H13BrN2O

>  <MolWeight> (954)
305.16982

>  <Item Name> (954)
AG-1024 

>  <Catalog Number> (954)
S1234

>  <Synonyms> (954)
N/A 

>  <Target> (954)
IGF-1R

>  <Form> (954)
Free Base

>  <URL> (954)
http://www.selleckchem.com/products/ag-1024-tyrphostin.html

>  <CAS Number> (954)
65678-07-1

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (955)
955

>  <Formula> (955)
C25H30ClI2NO3

>  <MolWeight> (955)
681.77254

>  <Item Name> (955)
Amiodarone HCl

>  <Catalog Number> (955)
S1979 

>  <Synonyms> (955)
N/A

>  <Target> (955)
Potassium Channel

>  <Form> (955)
Hydrochloride

>  <URL> (955)
http://www.selleckchem.com/products/amiodarone-hcl.html

>  <CAS Number> (955)
19774-82-4

$$$$
Pefloxacine mesylate.cdx
csChFnd80/10101813032D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (956)
956

>  <Formula> (956)
C18H24FN3O6S

>  <MolWeight> (956)
429.4630632

>  <Item Name> (956)
Pefloxacin mesylate

>  <Catalog Number> (956)
S1855 

>  <Synonyms> (956)
N/A

>  <Target> (956)
Antifection

>  <Form> (956)
Mesylate

>  <URL> (956)
http://www.selleckchem.com/products/pefloxacin-mesylate.html

>  <CAS Number> (956)
70458-95-6

$$$$
KW-2478.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (957)
957

>  <Formula> (957)
C30H42N2O9

>  <MolWeight> (957)
574.66248

>  <Item Name> (957)
KW-2478

>  <Catalog Number> (957)
S2685

>  <Synonyms> (957)
N/A

>  <Target> (957)
HSP

>  <Form> (957)
Free Base

>  <URL> (957)
http://www.selleckchem.com/products/kw-2478.html

>  <CAS Number> (957)
819812-04-9

$$$$
3-Methyladenine.cdx
csChFnd80/10101813032D

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PI3K

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5142-23-4

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c-Met

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905854-02-6

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TRPV

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501951-42-4

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>  <Target> (968)
SGLT 

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Free Base

>  <URL> (968)
http://www.selleckchem.com/products/canagliflozin.html

>  <CAS Number> (968)
842133-18-0

$$$$
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S2759 

>  <Synonyms> (969)
N/A

>  <Target> (969)
HDAC, PI3K

>  <Form> (969)
Free Base

>  <URL> (969)
http://www.selleckchem.com/products/cudc-907.html

>  <CAS Number> (969)
1339928-25-4

$$$$

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>  <Mol_ID> (970)
970

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C27H33FN6O7

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Dovitinib Dilactic acid (TKI258 Dilactic aci

>  <Catalog Number> (970)
S2769 

>  <Synonyms> (970)
CHIR-258 Dilactic acid 

>  <Target> (970)
Flt, FGFR, PDGFR, VEGFR, c-Kit

>  <Form> (970)
Dilactic Acid 

>  <URL> (970)
http://www.selleckchem.com/products/dovitinib.html

>  <CAS Number> (970)
852433-84-2

$$$$
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MK-2461

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S2774

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N/A 

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c-Met, FGFR, PDGFR

>  <Form> (975)
Free Base

>  <URL> (975)
http://www.selleckchem.com/products/mk-2461.html

>  <CAS Number> (975)
917879-39-1

$$$$
Nocodazole.cdx
csChFnd80/10101813032D

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976

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C14H11N3O3S

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301.32044

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Nocodazole

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S2775

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N/A 

>  <Target> (976)
Microtubule Associated

>  <Form> (976)
Free Base

>  <URL> (976)
http://www.selleckchem.com/products/nocodazole.html

>  <CAS Number> (976)
31430-18-9

$$$$
CPI-613.cdx
csChFnd80/10101813032D

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977

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C22H28O2S2

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388.58652

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CPI-613

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S2776

>  <Synonyms> (977)
N/A

>  <Target> (977)
Dehydrogenase 

>  <Form> (977)
Free Base

>  <URL> (977)
http://www.selleckchem.com/products/cpi-613.html

>  <CAS Number> (977)
95809-78-2

$$$$
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csChFnd80/10101813032D

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Free Base

>  <URL> (978)
http://www.selleckchem.com/products/pf-5274857.html

>  <CAS Number> (978)
1373615-35-0

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GW842166x.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (984)
984

>  <Formula> (984)
C19H16ClNO4

>  <MolWeight> (984)
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>  <Item Name> (984)
A-803467

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S2785 

>  <Synonyms> (984)
N/A 

>  <Target> (984)
Sodium Channel 

>  <Form> (984)
Free Base

>  <URL> (984)
http://www.selleckchem.com/products/a-803467.html

>  <CAS Number> (984)
944261-79-4

$$$$
Laquinimod(ABR-215062).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (985)
985

>  <Formula> (985)
C19H17ClN2O3

>  <MolWeight> (985)
356.80288

>  <Item Name> (985)
Laquinimod (ABR-215062)

>  <Catalog Number> (985)
S2787 

>  <Synonyms> (985)
N/A 

>  <Target> (985)
Immunology & Inflammation related

>  <Form> (985)
Free Base

>  <URL> (985)
http://www.selleckchem.com/products/laquinimod-abr-215062.html

>  <CAS Number> (985)
248281-84-7

$$$$
CP-690550.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (986)
986

>  <Formula> (986)
C16H20N6O

>  <MolWeight> (986)
312.3696

>  <Item Name> (986)
Tofacitinib (CP-690550, Tasocitinib)

>  <Catalog Number> (986)
S2789

>  <Synonyms> (986)
Tasocitinib 

>  <Target> (986)
JAK

>  <Form> (986)
Free Base

>  <URL> (986)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

>  <CAS Number> (986)
477600-75-2

$$$$
Istradefylline (KW-6002).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (987)
987

>  <Formula> (987)
C20H24N4O4

>  <MolWeight> (987)
384.42896

>  <Item Name> (987)
Istradefylline (KW-6002)

>  <Catalog Number> (987)
S2790

>  <Synonyms> (987)
N/A

>  <Target> (987)
Adenosine Receptor

>  <Form> (987)
Free Base

>  <URL> (987)
http://www.selleckchem.com/products/istradefylline-kw-6002.html

>  <CAS Number> (987)
155270-99-8

$$$$
Torcetrapib.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (988)
988

>  <Formula> (988)
C26H25F9N2O4

>  <MolWeight> (988)
600.4733288

>  <Item Name> (988)
Torcetrapib (CP-529414)

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S2792

>  <Synonyms> (988)
N/A 

>  <Target> (988)
CETP

>  <Form> (988)
Free Base

>  <URL> (988)
http://www.selleckchem.com/products/torcetrapib-cp-529414.html

>  <CAS Number> (988)
262352-17-0

$$$$
WP1066.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (989)
989

>  <Formula> (989)
C17H14BrN3O

>  <MolWeight> (989)
356.21656

>  <Item Name> (989)
WP1066

>  <Catalog Number> (989)
S2796

>  <Synonyms> (989)
N/A

>  <Target> (989)
JAK 

>  <Form> (989)
Free Base

>  <URL> (989)
http://www.selleckchem.com/products/wp1066.html

>  <CAS Number> (989)
857064-38-1

$$$$
Ciclopirox ethanolamine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (990)
990

>  <Formula> (990)
C14H24N2O3

>  <MolWeight> (990)
268.35196

>  <Item Name> (990)
Ciclopirox ethanolamine

>  <Catalog Number> (990)
S3019 

>  <Synonyms> (990)
N/A

>  <Target> (990)
ATPase

>  <Form> (990)
Ethanolamine

>  <URL> (990)
http://www.selleckchem.com/products/ciclopirox-ethanolamine.html

>  <CAS Number> (990)
41621-49-2

$$$$
Rimonabant.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (991)
991

>  <Formula> (991)
C22H21Cl3N4O

>  <MolWeight> (991)
463.78734

>  <Item Name> (991)
Rimonabant (SR141716)

>  <Catalog Number> (991)
S3021 

>  <Synonyms> (991)
N/A 

>  <Target> (991)
Cannabinoid Receptor 

>  <Form> (991)
Free Base

>  <URL> (991)
http://www.selleckchem.com/products/rimonabant-sr141716.html

>  <CAS Number> (991)
168273-06-1

$$$$
Cabazitaxel.cdx
csChFnd80/10101813032D

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183133-96-2

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HDAC 

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10083-24-6

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M  END
>  <Mol_ID> (998)
998

>  <Formula> (998)
C17H17F2NO2

>  <MolWeight> (998)
305.3191864

>  <Item Name> (998)
VU 0357121
VU 0357121
VU 0357121

>  <Catalog Number> (998)
S2795

>  <Synonyms> (998)
N/A 

>  <Target> (998)
GluR 

>  <Form> (998)
Free Base

>  <URL> (998)
http://www.selleckchem.com/products/vu-0357121.html

>  <CAS Number> (998)
433967-28-3

$$$$
Lonafarnib.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (999)
999

>  <Formula> (999)
C27H31Br2ClN4O2

>  <MolWeight> (999)
638.82164

>  <Item Name> (999)
Lonafarnib (SCH66336)

>  <Catalog Number> (999)
S2797

>  <Synonyms> (999)
N/A 

>  <Target> (999)
Transferase

>  <Form> (999)
Free Base

>  <URL> (999)
http://www.selleckchem.com/products/lonafarnib-sch66336.html

>  <CAS Number> (999)
193275-84-2

$$$$
Hydroxyecdysone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,000)
1000

>  <Formula> (1,000)
C27H44O7

>  <MolWeight> (1,000)
480.63406

>  <Item Name> (1,000)
20-Hydroxyecdysone

>  <Catalog Number> (1,000)
S2417 

>  <Synonyms> (1,000)
N/A 

>  <Target> (1,000)
Others

>  <Form> (1,000)
Free Base

>  <URL> (1,000)
http://www.selleckchem.com/products/20-hydroxyecdysone.html

>  <CAS Number> (1,000)
5289-74-7

$$$$
Synephrine hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,001)
1001

>  <Formula> (1,001)
C9H14ClNO2

>  <MolWeight> (1,001)
203.66596

>  <Item Name> (1,001)
Synephrine HCl

>  <Catalog Number> (1,001)
S2438 

>  <Synonyms> (1,001)
N/A 

>  <Target> (1,001)
Adrenergic Receptor

>  <Form> (1,001)
Hydrochloride

>  <URL> (1,001)
http://www.selleckchem.com/products/synephrine-hcl.html

>  <CAS Number> (1,001)
5985-28-4

$$$$
Sirtinol.cdx
csChFnd80/10101813032D

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C41H42N4O8

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Verteporfin (Visudyne)

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S1786

>  <Synonyms> (1,007)
Visudyne

>  <Target> (1,007)
5-alpha Reductase 

>  <Form> (1,007)
Free Base

>  <URL> (1,007)
http://www.selleckchem.com/products/Verteporfin(Visudyne).html

>  <CAS Number> (1,007)
129497-78-5

$$$$
Atazanavir Sulfate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,008)
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>  <Formula> (1,008)
C38H54N6O11S

>  <MolWeight> (1,008)
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>  <Item Name> (1,008)
Atazanavir sulfate

>  <Catalog Number> (1,008)
S1457

>  <Synonyms> (1,008)
BMS-232632-05, Reyataz 

>  <Target> (1,008)
HIV Protease

>  <Form> (1,008)
Sulfate

>  <URL> (1,008)
http://www.selleckchem.com/products/Atazanavir.html

>  <CAS Number> (1,008)
229975-97-7

$$$$
AZD4547.cdx
csChFnd80/10101813032D

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>  <Formula> (1,009)
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>  <MolWeight> (1,009)
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>  <Item Name> (1,009)
AZD4547

>  <Catalog Number> (1,009)
S2801 

>  <Synonyms> (1,009)
N/A 

>  <Target> (1,009)
FGFR

>  <Form> (1,009)
Free Base

>  <URL> (1,009)
http://www.selleckchem.com/products/azd4547.html

>  <CAS Number> (1,009)
1035270-39-3

$$$$
GDC-0068.cdx
csChFnd80/10101813032D

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   12.1075    4.2024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3158    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    4.9024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    8.6969    3.2101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
  2 11  1  1  0  0  0
  5 12  1  1  0  0  0
  9 13  1  1  0  0  0
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M  END
>  <Mol_ID> (1,019)
1019

>  <Formula> (1,019)
C23H35NaO7

>  <MolWeight> (1,019)
446.50957

>  <Item Name> (1,019)
Pravastatin sodium

>  <Catalog Number> (1,019)
S3036

>  <Synonyms> (1,019)
Selektine 

>  <Target> (1,019)
HMG-CoA Reductase

>  <Form> (1,019)
Free Base

>  <URL> (1,019)
http://www.selleckchem.com/products/pravastatin-pravachol.html

>  <CAS Number> (1,019)
81131-70-6

$$$$
Daunomycin HCL.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,020)
1020

>  <Formula> (1,020)
C27H30ClNO10

>  <MolWeight> (1,020)
563.9808

>  <Item Name> (1,020)
Daunorubicin HCl (Daunomycin HCl)

>  <Catalog Number> (1,020)
S3035

>  <Synonyms> (1,020)
N/A 

>  <Target> (1,020)
Telomerase

>  <Form> (1,020)
Hydrochloride

>  <URL> (1,020)
http://www.selleckchem.com/products/daunorubicin-hcl-daunomycin-hcl.html

>  <CAS Number> (1,020)
23541-50-6

$$$$
NVP-TAE226.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,021)
1021

>  <Formula> (1,021)
C23H25ClN6O3

>  <MolWeight> (1,021)
468.936

>  <Item Name> (1,021)
NVP-TAE226

>  <Catalog Number> (1,021)
S2820

>  <Synonyms> (1,021)
N/A 

>  <Target> (1,021)
FAK

>  <Form> (1,021)
Free Base

>  <URL> (1,021)
http://www.selleckchem.com/products/nvp-tae226.html

>  <CAS Number> (1,021)
761437-28-9

$$$$
JNJ1661010.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,022)
1022

>  <Formula> (1,022)
C19H19N5OS

>  <MolWeight> (1,022)
365.45206

>  <Item Name> (1,022)
JNJ 1661010

>  <Catalog Number> (1,022)
S2828

>  <Synonyms> (1,022)
N/A 

>  <Target> (1,022)
FAAH

>  <Form> (1,022)
Free Base

>  <URL> (1,022)
http://www.selleckchem.com/products/jnj-1661010.html

>  <CAS Number> (1,022)
681136-29-8

$$$$
ML133 HCL.cdx
csChFnd80/10101813032D

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5-alpha Reductase

>  <Form> (1,027)
Free Base

>  <URL> (1,027)
http://www.selleckchem.com/products/Finasteride.html

>  <CAS Number> (1,027)
98319-26-7

$$$$
Bisoprolol Fumarate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,028)
1028

>  <Formula> (1,028)
C22H35NO8

>  <MolWeight> (1,028)
441.5152

>  <Item Name> (1,028)
Bisoprolol fumarate

>  <Catalog Number> (1,028)
S1206

>  <Synonyms> (1,028)
EMD33512

>  <Target> (1,028)
Adrenergic Receptor

>  <Form> (1,028)
fumarate

>  <URL> (1,028)
http://www.selleckchem.com/products/Bisoprolol-Fumarate.html

>  <CAS Number> (1,028)
104344-23-2

$$$$
Dacarbazine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,029)
1029

>  <Formula> (1,029)
C6H10N6O

>  <MolWeight> (1,029)
182.1832

>  <Item Name> (1,029)
Dacarbazine (DTIC-Dome)

>  <Catalog Number> (1,029)
S1221

>  <Synonyms> (1,029)
DTIC 

>  <Target> (1,029)
DNA/RNA Synthesis

>  <Form> (1,029)
Free Base

>  <URL> (1,029)
http://www.selleckchem.com/products/Dacarbazine.html

>  <CAS Number> (1,029)
4342-03-4

$$$$
Entecavir hydrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,030)
1030

>  <Formula> (1,030)
C12H17N5O4

>  <MolWeight> (1,030)
295.29448

>  <Item Name> (1,030)
Entecavir hydrate

>  <Catalog Number> (1,030)
S1252

>  <Synonyms> (1,030)
Baraclude 

>  <Target> (1,030)
Reverse Transcriptase

>  <Form> (1,030)
Hydrate

>  <URL> (1,030)
http://www.selleckchem.com/products/Entecavir.html

>  <CAS Number> (1,030)
209216-23-9

$$$$
Rufinamide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,031)
1031

>  <Formula> (1,031)
C10H8F2N4O

>  <MolWeight> (1,031)
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>  <Item Name> (1,031)
Rufinamide (Banzel)

>  <Catalog Number> (1,031)
S1256

>  <Synonyms> (1,031)
Banzel 

>  <Target> (1,031)
Sodium Channel

>  <Form> (1,031)
Free Base

>  <URL> (1,031)
http://www.selleckchem.com/products/Rufinamide.html

>  <CAS Number> (1,031)
106308-44-5

$$$$
Acarbose.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,032)
1032

>  <Formula> (1,032)
C25H43NO18

>  <MolWeight> (1,032)
645.60482

>  <Item Name> (1,032)
Acarbose

>  <Catalog Number> (1,032)
S1271

>  <Synonyms> (1,032)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (1,032)
Others

>  <Form> (1,032)
Free Base

>  <URL> (1,032)
http://www.selleckchem.com/products/Acarbose.html

>  <CAS Number> (1,032)
56180-94-0

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,033)
1033

>  <Formula> (1,033)
C14H22N2O

>  <MolWeight> (1,033)
234.33728

>  <Item Name> (1,033)
Lidocaine (Alphacaine)

>  <Catalog Number> (1,033)
S1357

>  <Synonyms> (1,033)
Alphacaine, Xylocaine, lignocaine

>  <Target> (1,033)
Histamine Receptor

>  <Form> (1,033)
Free Base

>  <URL> (1,033)
http://www.selleckchem.com/products/Lidocaine.html

>  <CAS Number> (1,033)
137-58-6

$$$$

csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,034)
1034

>  <Formula> (1,034)
C19H24BrNO5S2

>  <MolWeight> (1,034)
490.43156

>  <Item Name> (1,034)
Tiotropium Bromide hydrate

>  <Catalog Number> (1,034)
S2547

>  <Synonyms> (1,034)
N/A 

>  <Target> (1,034)
AChR

>  <Form> (1,034)
quaternary-N bromide salt&hydr

>  <URL> (1,034)
http://www.selleckchem.com/products/Tiotropium-Bromide-hydrate.html

>  <CAS Number> (1,034)
139404-48-1

$$$$
Tioxolone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,035)
1035

>  <Formula> (1,035)
C7H4O3S

>  <MolWeight> (1,035)
168.16986

>  <Item Name> (1,035)
Tioxolone

>  <Catalog Number> (1,035)
S2603

>  <Synonyms> (1,035)
N/A 

>  <Target> (1,035)
Carbonic Anhydrase

>  <Form> (1,035)
Free Base

>  <URL> (1,035)
http://www.selleckchem.com/products/tioxolone.html

>  <CAS Number> (1,035)
4991-65-5

$$$$
ADX47273.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,036)
1036

>  <Formula> (1,036)
C20H17F2N3O2

>  <MolWeight> (1,036)
369.3646864

>  <Item Name> (1,036)
ADX-47273

>  <Catalog Number> (1,036)
S2690

>  <Synonyms> (1,036)
N/A 

>  <Target> (1,036)
GluR

>  <Form> (1,036)
Free Base

>  <URL> (1,036)
http://www.selleckchem.com/products/adx-47273.html

>  <CAS Number> (1,036)
851881-60-2

$$$$
PHA.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,037)
1037

>  <Formula> (1,037)
C12H11N3O

>  <MolWeight> (1,037)
213.23524

>  <Item Name> (1,037)
PHA-767491

>  <Catalog Number> (1,037)
S2742

>  <Synonyms> (1,037)
N/A 

>  <Target> (1,037)
CDK

>  <Form> (1,037)
Free Base

>  <URL> (1,037)
http://www.selleckchem.com/products/pha-767491.html

>  <CAS Number> (1,037)
845714-00-3

$$$$
Betaxolol hydrochloride.cdx
csChFnd80/10101813032D

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    0.0000    5.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,038)
1038

>  <Formula> (1,038)
C18H30ClNO3

>  <MolWeight> (1,038)
343.8887

>  <Item Name> (1,038)
Betaxolol hydrochloride (Betoptic)

>  <Catalog Number> (1,038)
S1827

>  <Synonyms> (1,038)
Lokren ,Kerlone 

>  <Target> (1,038)
Adrenergic Receptor

>  <Form> (1,038)
Hydrochloride

>  <URL> (1,038)
http://www.selleckchem.com/products/betaxolol-hydrochloride-betoptic.html

>  <CAS Number> (1,038)
63659-19-8

$$$$
Sodium salicylate.cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.7000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,039)
1039

>  <Formula> (1,039)
C7H6NaO3

>  <MolWeight> (1,039)
161.11051

>  <Item Name> (1,039)
Sodium salicylate

>  <Catalog Number> (1,039)
S3137

>  <Synonyms> (1,039)
N/A 

>  <Target> (1,039)
NF-¦ÊB

>  <Form> (1,039)
sodium salt

>  <URL> (1,039)
http://www.selleckchem.com/products/sodium-salicylate.html

>  <CAS Number> (1,039)
54-21-7

$$$$
Sulfamerazine.cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,040)
1040

>  <Formula> (1,040)
C11H12N4O2S

>  <MolWeight> (1,040)
264.30358

>  <Item Name> (1,040)
Sulfamerazine

>  <Catalog Number> (1,040)
S3132

>  <Synonyms> (1,040)
N/A 

>  <Target> (1,040)
Antifection

>  <Form> (1,040)
Free Base

>  <URL> (1,040)
http://www.selleckchem.com/products/sulfamerazine.html

>  <CAS Number> (1,040)
127-79-7

$$$$
Sulfamethazine.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,041)
1041

>  <Formula> (1,041)
C12H14N4O2S

>  <MolWeight> (1,041)
278.33016

>  <Item Name> (1,041)
Sulfamethazine

>  <Catalog Number> (1,041)
S3133

>  <Synonyms> (1,041)
N/A 

>  <Target> (1,041)
Antifection

>  <Form> (1,041)
Free Base

>  <URL> (1,041)
http://www.selleckchem.com/products/sulfamethazine.html

>  <CAS Number> (1,041)
57-68-1

$$$$
TPCA-1.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0330    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,042)
1042

>  <Formula> (1,042)
C12H10FN3O2S

>  <MolWeight> (1,042)
279.2901032

>  <Item Name> (1,042)
TPCA-1

>  <Catalog Number> (1,042)
S2824

>  <Synonyms> (1,042)
N/A 

>  <Target> (1,042)
IKK

>  <Form> (1,042)
Free Base

>  <URL> (1,042)
http://www.selleckchem.com/products/tpca-1.html

>  <CAS Number> (1,042)
507475-17-4

$$$$
Trimethoprim.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,043)
1043

>  <Formula> (1,043)
C14H18N4O3

>  <MolWeight> (1,043)
290.31772

>  <Item Name> (1,043)
Trimethoprim

>  <Catalog Number> (1,043)
S3129

>  <Synonyms> (1,043)
N/A 

>  <Target> (1,043)
Antifection

>  <Form> (1,043)
Free Base

>  <URL> (1,043)
http://www.selleckchem.com/products/trimethoprim.html

>  <CAS Number> (1,043)
738-70-5

$$$$
Entacapone.cdx
csChFnd80/10101813032D

 22 22  0  0  0  0  0  0  0  0999 V2000
    7.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,044)
1044

>  <Formula> (1,044)
C14H15N3O5

>  <MolWeight> (1,044)
305.286

>  <Item Name> (1,044)
Entacapone

>  <Catalog Number> (1,044)
S3147 

>  <Synonyms> (1,044)
N/A 

>  <Target> (1,044)
Histone Methyltransferase

>  <Form> (1,044)
Free Base

>  <URL> (1,044)
http://www.selleckchem.com/products/entacapone.html

>  <CAS Number> (1,044)
130929-57-6

$$$$
Estradiol Valerate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,045)
1045

>  <Formula> (1,045)
C23H32O3

>  <MolWeight> (1,045)
356.49838

>  <Item Name> (1,045)
Estradiol valerate

>  <Catalog Number> (1,045)
S3149

>  <Synonyms> (1,045)
N/A 

>  <Target> (1,045)
Estrogen/progestogen Receptor

>  <Form> (1,045)
Free Base

>  <URL> (1,045)
http://www.selleckchem.com/products/estradiol-valerate.html

>  <CAS Number> (1,045)
979-32-8

$$$$
Articaine hydrochloride.cdx
csChFnd80/10101813032D

 20 19  0  0  0  0  0  0  0  0999 V2000
    8.5536    3.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,046)
1046

>  <Formula> (1,046)
C13H21ClN2O3S

>  <MolWeight> (1,046)
320.83544

>  <Item Name> (1,046)
Articaine HCl

>  <Catalog Number> (1,046)
S3150

>  <Synonyms> (1,046)
N/A 

>  <Target> (1,046)
Others

>  <Form> (1,046)
Hydrochloride

>  <URL> (1,046)
http://www.selleckchem.com/products/articaine-hydrochloride.html

>  <CAS Number> (1,046)
23964-57-0

$$$$
Gliquidone.cdx
csChFnd80/10101813032D

 37 40  0  0  0  0  0  0  0  0999 V2000
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 10 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,047)
1047

>  <Formula> (1,047)
C27H33N3O6S

>  <MolWeight> (1,047)
527.63242

>  <Item Name> (1,047)
Gliquidone

>  <Catalog Number> (1,047)
S3151

>  <Synonyms> (1,047)
Glurenorm 

>  <Target> (1,047)
Potassium Channel

>  <Form> (1,047)
Free Base

>  <URL> (1,047)
http://www.selleckchem.com/products/gliquidone.html

>  <CAS Number> (1,047)
33342-05-1

$$$$
Butenafine Hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,048)
1048

>  <Formula> (1,048)
C23H28ClN

>  <MolWeight> (1,048)
353.92812

>  <Item Name> (1,048)
Butenafine HCl

>  <Catalog Number> (1,048)
S3154

>  <Synonyms> (1,048)
N/A 

>  <Target> (1,048)
Antifection

>  <Form> (1,048)
HCl

>  <URL> (1,048)
http://www.selleckchem.com/products/butenafine-hydrochloride.html

>  <CAS Number> (1,048)
101827-46-7

$$$$
Mepivacaine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,049)
1049

>  <Formula> (1,049)
C15H23ClN2O

>  <MolWeight> (1,049)
282.80892

>  <Item Name> (1,049)
Mepivacaine HCl

>  <Catalog Number> (1,049)
S3155

>  <Synonyms> (1,049)
N/A 

>  <Target> (1,049)
Sodium Channel

>  <Form> (1,049)
HCl

>  <URL> (1,049)
http://www.selleckchem.com/products/mepivacaine-hydrochloride.html

>  <CAS Number> (1,049)
1722-62-9

$$$$
Tylosin tartrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,050)
1050

>  <Formula> (1,050)
C50H83NO23

>  <MolWeight> (1,050)
1066.18692

>  <Item Name> (1,050)
Tylosin tartrate

>  <Catalog Number> (1,050)
S3162

>  <Synonyms> (1,050)
N/A 

>  <Target> (1,050)
Antifection

>  <Form> (1,050)
Tartrate

>  <URL> (1,050)
http://www.selleckchem.com/products/tylosin-tartrate.html

>  <CAS Number> (1,050)
74610-55-2

$$$$
Benztropine mesylate.cdx
csChFnd80/10101813032D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.1714    5.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,051)
1051

>  <Formula> (1,051)
C22H29NO4S

>  <MolWeight> (1,051)
403.53496

>  <Item Name> (1,051)
Benztropine mesylate

>  <Catalog Number> (1,051)
S3163

>  <Synonyms> (1,051)
N/A 

>  <Target> (1,051)
Histamine Receptor

>  <Form> (1,051)
Mesylate

>  <URL> (1,051)
http://www.selleckchem.com/products/benztropine-mesylate.html

>  <CAS Number> (1,051)
132-17-2

$$$$
Betahistine dihydrochloride.cdx
csChFnd80/10101813032D

 12 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,052)
1052

>  <Formula> (1,052)
C8H14Cl2N2

>  <MolWeight> (1,052)
209.11616

>  <Item Name> (1,052)
Betahistine 2HCl

>  <Catalog Number> (1,052)
S3176

>  <Synonyms> (1,052)
N/A 

>  <Target> (1,052)
Histamine Receptor

>  <Form> (1,052)
2HCl

>  <URL> (1,052)
http://www.selleckchem.com/products/betahistine-dihydrochloride.html

>  <CAS Number> (1,052)
5579-84-0

$$$$
Brinzolamide.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.3834    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5958    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2332    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4456    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
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  2 16  1  0  0  0  0
 22 23  1  0  0  0  0
 21 22  1  0  0  0  0
  4 21  1  1  0  0  0
M  END
>  <Mol_ID> (1,053)
1053

>  <Formula> (1,053)
C12H21N3O5S3

>  <MolWeight> (1,053)
383.50724

>  <Item Name> (1,053)
Brinzolamide

>  <Catalog Number> (1,053)
S3178

>  <Synonyms> (1,053)
Azopt 

>  <Target> (1,053)
Carbonic Anhydrase

>  <Form> (1,053)
Free Base

>  <URL> (1,053)
http://www.selleckchem.com/products/brinzolamide.html

>  <CAS Number> (1,053)
138890-62-7

$$$$
Carbenicillin disodium.cdx
csChFnd80/10101813032D

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.7413    3.0850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    3.3761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2255    4.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    5.3379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    4.2975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6537    3.5975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9537    2.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6938    1.0870    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3161    1.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8561    4.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    6.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6336    1.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3483    3.3322    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    8.7207    5.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4353    7.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4253    6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3382    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6905    2.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4312    5.2874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5453    3.7576    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.1452    3.7576    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  1  5  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2  8  1  1  0  0  0
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
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 17 24  1  0  0  0  0
 14 15  1  0  0  0  0
  6 14  1  6  0  0  0
  5 27  1  1  0  0  0
M  END
>  <Mol_ID> (1,054)
1054

>  <Formula> (1,054)
C17H16N2Na2O6S

>  <MolWeight> (1,054)
422.36328

>  <Item Name> (1,054)
Carbenicillin disodium

>  <Catalog Number> (1,054)
S3179

>  <Synonyms> (1,054)
N/A 

>  <Target> (1,054)
Antifection

>  <Form> (1,054)
Disodium

>  <URL> (1,054)
http://www.selleckchem.com/products/carbenicillin-disodium.html

>  <CAS Number> (1,054)
4800-94-6

$$$$
Eletriptan hydrobromide.cdx
csChFnd80/10101813032D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.0549    1.8803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    3.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0549    4.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3863    3.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5988    4.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8112    3.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8112    2.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5988    1.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3863    2.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0237    4.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2361    3.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4485    4.4129    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1485    3.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7485    5.6254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8734    4.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0858    6.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6834    7.0471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    6.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    8.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0101    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
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 15 16  1  0  0  0  0
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 11 12  1  0  0  0  0
  6 10  1  0  0  0  0
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 22 27  1  0  0  0  0
 23 21  1  1  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,055)
1055

>  <Formula> (1,055)
C22H27BrN2O2S

>  <MolWeight> (1,055)
463.43098

>  <Item Name> (1,055)
Eletriptan HBr

>  <Catalog Number> (1,055)
S3180

>  <Synonyms> (1,055)
N/A 

>  <Target> (1,055)
5-HT Receptor

>  <Form> (1,055)
HBr

>  <URL> (1,055)
http://www.selleckchem.com/products/eletriptan-hydrobromide.html

>  <CAS Number> (1,055)
177834-92-3

$$$$
Flumequine.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8487    2.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    4.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    2.8017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    2.1017    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2114    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0614    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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  9 13  1  0  0  0  0
  1 11  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  3 14  1  0  0  0  0
  2 17  2  0  0  0  0
  6 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,056)
1056

>  <Formula> (1,056)
C14H12FNO3

>  <MolWeight> (1,056)
261.2483832

>  <Item Name> (1,056)
Flumequine

>  <Catalog Number> (1,056)
S3181

>  <Synonyms> (1,056)
N/A 

>  <Target> (1,056)
Topoisomerase

>  <Form> (1,056)
Free Base

>  <URL> (1,056)
http://www.selleckchem.com/products/flumequine.html

>  <CAS Number> (1,056)
42835-25-6

$$$$
Ticarcillin sodium.cdx
csChFnd80/10101813032D

 27 27  0  0  0  0  0  0  0  0999 V2000
   13.8741    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5047    2.3861    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3583    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6373    4.3479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5741    3.3075    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.7865    2.6075    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.0865    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4643    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8266    0.0971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1328    1.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4489    0.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9257    5.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9889    3.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1388    2.9698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7664    0.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4811    2.3422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.1504    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,057)
1057

>  <Formula> (1,057)
C15H16N2Na2O6S2

>  <MolWeight> (1,057)
430.40688

>  <Item Name> (1,057)
Ticarcillin sodium

>  <Catalog Number> (1,057)
S3193

>  <Synonyms> (1,057)
N/A 

>  <Target> (1,057)
Others

>  <Form> (1,057)
Sodium

>  <URL> (1,057)
http://www.selleckchem.com/products/ticarcillin-sodium.html

>  <CAS Number> (1,057)
29457-07-6

$$$$
Azlocillin sodium salt.cdx
csChFnd80/10101813032D

 33 35  0  0  0  0  0  0  0  0999 V2000
    5.8899    6.2769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9632    4.8789    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.4821    3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 30  2  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,058)
1058

>  <Formula> (1,058)
C20H23N5NaO6S

>  <MolWeight> (1,058)
484.48129

>  <Item Name> (1,058)
Azlocillin sodium salt

>  <Catalog Number> (1,058)
S3195

>  <Synonyms> (1,058)
N/A 

>  <Target> (1,058)
Antifection

>  <Form> (1,058)
Sodium Salt

>  <URL> (1,058)
http://www.selleckchem.com/products/azlocillin-sodium-salt.html

>  <CAS Number> (1,058)
37091-65-9

$$$$
Trifluoperazine dihydrochloride.cdx
csChFnd80/10101813032D

 30 31  0  0  0  0  0  0  0  0999 V2000
   16.3629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2629    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0629    6.0622    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.4629    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1629    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5629    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2629    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1629    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4629    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0629    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2629    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.6629    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   24.7629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4629    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.7629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   26.8629    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2574    3.6373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.8574    3.6373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
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 13 14  1  0  0  0  0
  5 14  1  0  0  0  0
  1 14  2  0  0  0  0
 15 16  1  0  0  0  0
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  2 15  1  0  0  0  0
 19 20  1  0  0  0  0
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 25 28  1  0  0  0  0
 21 22  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,059)
1059

>  <Formula> (1,059)
C21H26Cl2F3N3S

>  <MolWeight> (1,059)
480.4174496

>  <Item Name> (1,059)
Trifluoperazine 2HCl

>  <Catalog Number> (1,059)
S3201

>  <Synonyms> (1,059)
 N/A 

>  <Target> (1,059)
Dopamine Receptor

>  <Form> (1,059)
Dihydrochlorid

>  <URL> (1,059)
http://www.selleckchem.com/products/trifluoperazine-dihydrochloride.html

>  <CAS Number> (1,059)
440-17-5

$$$$
Meptazinol hydrochloride.cdx
csChFnd80/10101813032D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.9900    3.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3171    3.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3071    2.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8756    1.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5295    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5396    1.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1126    3.4858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0180    2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    2.9245    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0457    4.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    5.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0180    5.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1126    4.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6531    1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8656    0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  1  6  2  0  0  0  0
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 15 16  1  0  0  0  0
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  3  9  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,060)
1060

>  <Formula> (1,060)
C15H24ClNO

>  <MolWeight> (1,060)
269.81016

>  <Item Name> (1,060)
Meptazinol HCl

>  <Catalog Number> (1,060)
S3204

>  <Synonyms> (1,060)
N/A 

>  <Target> (1,060)
Opioid Receptor

>  <Form> (1,060)
HCl

>  <URL> (1,060)
http://www.selleckchem.com/products/meptazinol-hydrochloride.html

>  <CAS Number> (1,060)
59263-76-2

$$$$
Adrenalone hydrochloride.cdx
csChFnd80/10101813032D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.3000    1.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.7302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 13  1  0  0  0  0
  6 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,061)
1061

>  <Formula> (1,061)
C9H12ClNO3

>  <MolWeight> (1,061)
217.64948

>  <Item Name> (1,061)
Adrenalone HCl

>  <Catalog Number> (1,061)
S3185

>  <Synonyms> (1,061)
N/A 

>  <Target> (1,061)
Adrenergic Receptor

>  <Form> (1,061)
hydrochloride

>  <URL> (1,061)
http://www.selleckchem.com/products/adrenalone-hcl.html

>  <CAS Number> (1,061)
62-13-5

$$$$
Azacyclonol.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.2000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9876    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 20  2  0  0  0  0
  7 15  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,062)
1062

>  <Formula> (1,062)
C18H21NO

>  <MolWeight> (1,062)
267.36544

>  <Item Name> (1,062)
Azacyclonol

>  <Catalog Number> (1,062)
S3196

>  <Synonyms> (1,062)
N/A 

>  <Target> (1,062)
5-HT Receptor

>  <Form> (1,062)
Free Base

>  <URL> (1,062)
http://www.selleckchem.com/products/azacyclonol.html

>  <CAS Number> (1,062)
115-46-8

$$$$
Reboxetine mesylate.cdx
csChFnd80/10101813032D

 29 30  0  0  0  0  0  0  0  0999 V2000
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csChFnd80/10101813032D

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1173900-33-8

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N/A 

>  <Target> (1,067)
Adrenergic Receptor

>  <Form> (1,067)
Hydrochloride

>  <URL> (1,067)
http://www.selleckchem.com/products/Xylazine(Rompun).html

>  <CAS Number> (1,067)
23076-35-9

$$$$
Catharanthine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,068)
1068

>  <Formula> (1,068)
C21H24N2O2

>  <MolWeight> (1,068)
336.42746

>  <Item Name> (1,068)
Catharanthine

>  <Catalog Number> (1,068)
S3202

>  <Synonyms> (1,068)
N/A 

>  <Target> (1,068)
AChR

>  <Form> (1,068)
Free Base

>  <URL> (1,068)
http://www.selleckchem.com/products/catharanthine.html

>  <CAS Number> (1,068)
2468-21-5

$$$$
Fexofenadine HCl.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,069)
1069

>  <Formula> (1,069)
C32H40ClNO4

>  <MolWeight> (1,069)
538.1173

>  <Item Name> (1,069)
Fexofenadine HCl

>  <Catalog Number> (1,069)
S3208

>  <Synonyms> (1,069)
N/A 

>  <Target> (1,069)
Histamine Receptor

>  <Form> (1,069)
hydrochloride

>  <URL> (1,069)
http://www.selleckchem.com/products/fexofenadine-hcl.html

>  <CAS Number> (1,069)
153439-40-8

$$$$
Moclobemide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,070)
1070

>  <Formula> (1,070)
C13H17ClN2O2

>  <MolWeight> (1,070)
268.73928

>  <Item Name> (1,070)
Moclobemide (Ro 111163)

>  <Catalog Number> (1,070)
S3212

>  <Synonyms> (1,070)
N/A 

>  <Target> (1,070)
MAO

>  <Form> (1,070)
Free Base

>  <URL> (1,070)
http://www.selleckchem.com/products/moclobemide.html

>  <CAS Number> (1,070)
71320-77-9

$$$$
Tideglusib.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,071)
1071

>  <Formula> (1,071)
C19H14N2O2S

>  <MolWeight> (1,071)
334.39166

>  <Item Name> (1,071)
Tideglusib

>  <Catalog Number> (1,071)
S2823

>  <Synonyms> (1,071)
N/A 

>  <Target> (1,071)
GSK-3

>  <Form> (1,071)
Free Base

>  <URL> (1,071)
http://www.selleckchem.com/products/tideglusib.html

>  <CAS Number> (1,071)
865854-05-3 

$$$$
ARN-509.cdx
csChFnd80/10101813032D

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$$$$
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csChFnd80/10101813032D

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$$$$
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$$$$
Azilsartan.cdx
csChFnd80/10101813032D

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RAAS

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Calcium Channel

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26328-04-1

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BML-190.cdx
csChFnd80/10101813032D

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Indomethacin Morpholinylamide 

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Cannabinoid Receptor

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http://www.selleckchem.com/products/bml-190.html

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2854-32-2

$$$$
Semaxanib.cdx
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194413-58-6

$$$$
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SB-269970 HCl.cdx
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>  <URL> (1,083)
http://www.selleckchem.com/products/sb-269970-hcl.html

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261901-57-9

$$$$
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183232-66-8

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>  <Formula> (1,085)
C24H23N5OS

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>  <Item Name> (1,085)
StemRegenin 1

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S2858

>  <Synonyms> (1,085)
N/A 

>  <Target> (1,085)
AhR

>  <Form> (1,085)
Free Base

>  <URL> (1,085)
http://www.selleckchem.com/products/stemRegenin-1.html

>  <CAS Number> (1,085)
1227633-49-9

$$$$
Otilonium Bromide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,086)
1086

>  <Formula> (1,086)
C29H43BrN2O4

>  <MolWeight> (1,086)
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>  <Item Name> (1,086)
Otilonium Bromide

>  <Catalog Number> (1,086)
S3047

>  <Synonyms> (1,086)
N/A

>  <Target> (1,086)
AChR

>  <Form> (1,086)
quaternary-N bromide salt

>  <URL> (1,086)
http://www.selleckchem.com/products/otilonium-bromide.html

>  <CAS Number> (1,086)
26095-59-0

$$$$
Cyclocytidine hydrochloride.cdx
csChFnd80/10101813032D

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>  <Formula> (1,087)
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>  <Item Name> (1,087)
Cyclocytidine HCl

>  <Catalog Number> (1,087)
S1973

>  <Synonyms> (1,087)
N/A 

>  <Target> (1,087)
DNA/RNA Synthesis

>  <Form> (1,087)
Hydrochloride

>  <URL> (1,087)
http://www.selleckchem.com/products/cyclocytidine-hcl.html

>  <CAS Number> (1,087)
10212-25-6

$$$$
IMD0354.cdx
csChFnd80/10101813032D

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>  <Formula> (1,088)
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>  <Target> (1,088)
IKK

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Free Base

>  <URL> (1,088)
http://www.selleckchem.com/products/imd-0354.html

>  <CAS Number> (1,088)
978-62-1

$$$$
ML130.cdx
csChFnd80/10101813032D

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>  <Formula> (1,089)
C14H13N3O2S

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>  <Item Name> (1,089)
ML130

>  <Catalog Number> (1,089)
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N/A

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NOD1

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>  <URL> (1,089)
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799264-47-4

$$$$
T0070907.cdx
csChFnd80/10101813032D

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N/A

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PPAR

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Free Base

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http://www.selleckchem.com/products/t0070907.html

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313516-66-4

$$$$
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E7050

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c-Met, VEGFR

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http://www.selleckchem.com/products/golvatinib-e7050.html

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928037-13-2

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211555-04-3

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S2865

>  <Synonyms> (1,094)
N/A

>  <Target> (1,094)
5-HT Receptor

>  <Form> (1,094)
Free Base

>  <URL> (1,094)
http://www.selleckchem.com/products/vuf-10166.html

>  <CAS Number> (1,094)
155584-74-0

$$$$
Alverine citrate.cdx
csChFnd80/10101813032D

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>  <Formula> (1,095)
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>  <MolWeight> (1,095)
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>  <Item Name> (1,095)
Alverine Citrate

>  <Catalog Number> (1,095)
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>  <Synonyms> (1,095)
N/A

>  <Target> (1,095)
OX Receptor

>  <Form> (1,095)
Citrate

>  <URL> (1,095)
http://www.selleckchem.com/products/alverine-citrate.html

>  <CAS Number> (1,095)
5560-59-8

$$$$
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csChFnd80/10101813032D

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Azelnidipine

>  <Catalog Number> (1,096)
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>  <Synonyms> (1,096)
N/A

>  <Target> (1,096)
Calcium Channel

>  <Form> (1,096)
Free Base

>  <URL> (1,096)
http://www.selleckchem.com/products/azelnidipine.html

>  <CAS Number> (1,096)
123524-52-7

$$$$
Forskolin.cdx
csChFnd80/10101813032D

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Coleonol

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cAMP

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>  <URL> (1,097)
http://www.selleckchem.com/products/forskolin.html

>  <CAS Number> (1,097)
66575-29-9

$$$$
Chlorhexidine Hydrochloride.cdx
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   10.4475    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6599    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8724    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3555    5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 25 26  1  0  0  0  0
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 18 21  1  0  0  0  0
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 29 30  2  0  0  0  0
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 32 33  1  0  0  0  0
 28 33  2  0  0  0  0
 31 34  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,098)
1098

>  <Formula> (1,098)
C22H32Cl4N10

>  <MolWeight> (1,098)
578.36848

>  <Item Name> (1,098)
Chlorhexidine HCl

>  <Catalog Number> (1,098)
S3067

>  <Synonyms> (1,098)
N/A

>  <Target> (1,098)
Antifection

>  <Form> (1,098)
Dihydrochlorid

>  <URL> (1,098)
http://www.selleckchem.com/products/chlorhexidine-hcl.html

>  <CAS Number> (1,098)
3697-42-5

$$$$
Diclofenac Diethylamine.cdx
csChFnd80/10101813032D

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4208    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
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 20 21  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,099)
1099

>  <Formula> (1,099)
C18H22Cl2N2O2

>  <MolWeight> (1,099)
369.28548

>  <Item Name> (1,099)
Diclofenac Diethylamine

>  <Catalog Number> (1,099)
S3063

>  <Synonyms> (1,099)
N/A

>  <Target> (1,099)
COX

>  <Form> (1,099)
Diethylamine

>  <URL> (1,099)
http://www.selleckchem.com/products/diclofenac-diethylamine.html

>  <CAS Number> (1,099)
78213-16-8

$$$$
CATAFLAM (diclofenac potassium).cdx
csChFnd80/10101813032D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
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 12 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,100)
1100

>  <Formula> (1,100)
C14H10Cl2KNO2

>  <MolWeight> (1,100)
334.239

>  <Item Name> (1,100)
Diclofenac Potassium

>  <Catalog Number> (1,100)
S3062

>  <Synonyms> (1,100)
N/A

>  <Target> (1,100)
Immunology & Inflammation related

>  <Form> (1,100)
Potassium

>  <URL> (1,100)
http://www.selleckchem.com/products/diclofenac-potassium.html

>  <CAS Number> (1,100)
15307-81-0

$$$$
Epinephrine HCl.cdx
csChFnd80/10101813032D

 14 13  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6000    2.4258    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3000    3.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.6382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  9 13  1  6  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,101)
1101

>  <Formula> (1,101)
C9H14ClNO3

>  <MolWeight> (1,101)
219.66536

>  <Item Name> (1,101)
Epinephrine HCl (Adrenaline)

>  <Catalog Number> (1,101)
S3061

>  <Synonyms> (1,101)
N/A

>  <Target> (1,101)
Adrenergic Receptor

>  <Form> (1,101)
HCl 

>  <URL> (1,101)
http://www.selleckchem.com/products/epinephrine-hcl-adrenaline.html

>  <CAS Number> (1,101)
55-31-2

$$$$
Inosine.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    0.0000    4.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  5  1  1  0  0  0  0
  3  6  1  6  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 14 10  1  0  0  0  0
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 12 15  1  0  0  0  0
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 18 13  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,102)
1102

>  <Formula> (1,102)
C10H12N4O5

>  <MolWeight> (1,102)
268.22608

>  <Item Name> (1,102)
Inosine

>  <Catalog Number> (1,102)
S2442

>  <Synonyms> (1,102)
N/A

>  <Target> (1,102)
Others

>  <Form> (1,102)
Free Base

>  <URL> (1,102)
http://www.selleckchem.com/products/inosine.html

>  <CAS Number> (1,102)
58-63-9

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/10101813032D

 38 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  5 27  1  1  0  0  0
  9 28  1  1  0  0  0
 12 29  1  1  0  0  0
 16 30  1  1  0  0  0
 10 31  1  6  0  0  0
 11 32  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 17 33  1  6  0  0  0
 14 38  1  1  0  0  0
M  END
>  <Mol_ID> (1,103)
1103

>  <Formula> (1,103)
C28H37ClO7

>  <MolWeight> (1,103)
521.04218

>  <Item Name> (1,103)
Beclomethasone dipropionate 

>  <Catalog Number> (1,103)
S3078

>  <Synonyms> (1,103)
Beclometasone dipropionate

>  <Target> (1,103)
Glucocorticoid Receptor

>  <Form> (1,103)
Free Base

>  <URL> (1,103)
http://www.selleckchem.com/products/beclomethasone-dipropionate.html

>  <CAS Number> (1,103)
5534-09-8

$$$$
Naloxone HCL.cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.8000    4.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.1341    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9000    5.3465    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2000    6.5590    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8000    6.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.9217    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3000    2.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    2.2217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    1.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    1.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2623    1.5694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2101    5.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    6.5590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5623    7.9113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5758    8.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9099    8.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2710    9.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2845   10.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6088    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  1  1  0  0  0  0
 14 15  1  0  0  0  0
  7 15  1  0  0  0  0
 13 16  1  0  0  0  0
  8 17  2  0  0  0  0
  7 18  1  1  0  0  0
  2 19  1  1  0  0  0
  3 20  1  1  0  0  0
  4 21  1  1  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,104)
1104

>  <Formula> (1,104)
C19H22ClNO4

>  <MolWeight> (1,104)
363.83528

>  <Item Name> (1,104)
Naloxone HCl

>  <Catalog Number> (1,104)
S3066

>  <Synonyms> (1,104)
N/A

>  <Target> (1,104)
Opioid Receptor

>  <Form> (1,104)
HCl

>  <URL> (1,104)
http://www.selleckchem.com/products/naloxone-hcl.html

>  <CAS Number> (1,104)
357-08-4

$$$$
Pircetam.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2073    3.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,105)
1105

>  <Formula> (1,105)
C6H10N2O2

>  <MolWeight> (1,105)
142.1558

>  <Item Name> (1,105)
Piracetam

>  <Catalog Number> (1,105)
S3070

>  <Synonyms> (1,105)
N/A

>  <Target> (1,105)
GluR

>  <Form> (1,105)
Free Base

>  <URL> (1,105)
http://www.selleckchem.com/products/piracetam.html

>  <CAS Number> (1,105)
7491-74-9

$$$$
Vanillin.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  9 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,106)
1106

>  <Formula> (1,106)
C8H8O3

>  <MolWeight> (1,106)
152.14732

>  <Item Name> (1,106)
Vanillin 

>  <Catalog Number> (1,106)
S3071

>  <Synonyms> (1,106)
N/A

>  <Target> (1,106)
Others

>  <Form> (1,106)
Free Base

>  <URL> (1,106)
http://www.selleckchem.com/products/vanillin.html

>  <CAS Number> (1,106)
121-33-5

$$$$
Dexmedetomidine.cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.6364    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.3976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2157    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    3.4899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    1.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
  9 15  1  6  0  0  0
M  END
>  <Mol_ID> (1,107)
1107

>  <Formula> (1,107)
C13H16N2

>  <MolWeight> (1,107)
200.27954

>  <Item Name> (1,107)
Dexmedetomidine

>  <Catalog Number> (1,107)
S3075

>  <Synonyms> (1,107)
N/A

>  <Target> (1,107)
Adrenergic Receptor

>  <Form> (1,107)
Free Base

>  <URL> (1,107)
http://www.selleckchem.com/products/dexmedetomidine.html

>  <CAS Number> (1,107)
113775-47-6

$$$$
Foscarnet Sodium.cdx
csChFnd80/10101813032D

 10  6  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    4.2000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8000    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4000    0.7000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2400    1.4140    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.8400    1.4140    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.5400    0.0140    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,108)
1108

>  <Formula> (1,108)
CNa3O5P

>  <MolWeight> (1,108)
191.950771

>  <Item Name> (1,108)
Foscarnet Sodium

>  <Catalog Number> (1,108)
S3076

>  <Synonyms> (1,108)
N/A

>  <Target> (1,108)
Reverse Transcriptase

>  <Form> (1,108)
Sodium

>  <URL> (1,108)
http://www.selleckchem.com/products/foscarnet-sodium.html

>  <CAS Number> (1,108)
63585-09-1
63585-09-1

$$$$
Acesulfame potassium.cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.5912    2.3562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    3.0562    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    4.4562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    5.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036    4.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8036    3.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    6.5562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0160    2.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999    1.7406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5183    0.0000    0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,109)
1109

>  <Formula> (1,109)
C4H5KNO4S

>  <MolWeight> (1,109)
202.2501

>  <Item Name> (1,109)
Acesulfame Potassium 

>  <Catalog Number> (1,109)
S2884

>  <Synonyms> (1,109)
N/A

>  <Target> (1,109)
Others

>  <Form> (1,109)
Potassium Salt

>  <URL> (1,109)
http://www.selleckchem.com/products/acesulfame-potassium.html

>  <CAS Number> (1,109)
55589-62-3

$$$$
Apocynin (acetovanillone).cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,110)
1110

>  <Formula> (1,110)
C9H10O3

>  <MolWeight> (1,110)
166.1739

>  <Item Name> (1,110)
Apocynin (Acetovanillone)

>  <Catalog Number> (1,110)
S2425

>  <Synonyms> (1,110)
N/A

>  <Target> (1,110)
NADPH oxidase

>  <Form> (1,110)
Free Base

>  <URL> (1,110)
http://www.selleckchem.com/products/apocynin-acetovanillone.html

>  <CAS Number> (1,110)
498-02-2

$$$$
Schisandrin B.cdx
csChFnd80/10101813032D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.6194    3.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5559    4.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    4.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6194    2.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9451    4.6647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8366    5.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1762    3.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,111)
1111

>  <Formula> (1,111)
C23H28O6

>  <MolWeight> (1,111)
400.46482

>  <Item Name> (1,111)
Schisandrin B

>  <Catalog Number> (1,111)
S3600

>  <Synonyms> (1,111)
N/A

>  <Target> (1,111)
Others

>  <Form> (1,111)
Free Base

>  <URL> (1,111)
http://www.selleckchem.com/products/schisandrin-b.html

>  <CAS Number> (1,111)
61281-37-6

$$$$
Gambogic acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,112)
1112

>  <Formula> (1,112)
C38H44O8

>  <MolWeight> (1,112)
628.75116

>  <Item Name> (1,112)
Gambogic Acid

>  <Catalog Number> (1,112)
S2448

>  <Synonyms> (1,112)
N/A

>  <Target> (1,112)
Bcl-2,Caspase

>  <Form> (1,112)
Free Base

>  <URL> (1,112)
http://www.selleckchem.com/products/gambogic-acid.html

>  <CAS Number> (1,112)
2752-65-0

$$$$
atovaquone (atavaquone, Mepron).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,113)
1113

>  <Formula> (1,113)
C22H19ClO3

>  <MolWeight> (1,113)
366.83746

>  <Item Name> (1,113)
Atovaquone (Atavaquone)

>  <Catalog Number> (1,113)
S3079

>  <Synonyms> (1,113)
N/A

>  <Target> (1,113)
Antifection

>  <Form> (1,113)
Free Base

>  <URL> (1,113)
http://www.selleckchem.com/products/atovaquone-atavaquone.html

>  <CAS Number> (1,113)
95233-18-4

$$$$
etravirine (TMC125).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,114)
1114

>  <Formula> (1,114)
C20H15BrN6O

>  <MolWeight> (1,114)
435.2767

>  <Item Name> (1,114)
Etravirine (TMC125)

>  <Catalog Number> (1,114)
S3080

>  <Synonyms> (1,114)
N/A

>  <Target> (1,114)
Reverse Transcriptase

>  <Form> (1,114)
Free Base

>  <URL> (1,114)
http://www.selleckchem.com/products/etravirine-tmc125.html

>  <CAS Number> (1,114)
269055-15-4

$$$$
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$$$$
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M  END
>  <Mol_ID> (1,124)
1124

>  <Formula> (1,124)
C28H29N5OS

>  <MolWeight> (1,124)
483.62776

>  <Item Name> (1,124)
IKK-16

>  <Catalog Number> (1,124)
S2882

>  <Synonyms> (1,124)
N/A

>  <Target> (1,124)
IKK

>  <Form> (1,124)
Free Base

>  <URL> (1,124)
http://www.selleckchem.com/products/ikk-16.html

>  <CAS Number> (1,124)
873225-46-8

$$$$
Indacaterol Maleate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,125)
1125

>  <Formula> (1,125)
C28H32N2O7

>  <MolWeight> (1,125)
508.56288

>  <Item Name> (1,125)
Indacaterol Maleate

>  <Catalog Number> (1,125)
S3083

>  <Synonyms> (1,125)
N/A

>  <Target> (1,125)
Adrenergic Receptor

>  <Form> (1,125)
Maleate

>  <URL> (1,125)
http://www.selleckchem.com/products/indacaterol-maleate.html

>  <CAS Number> (1,125)
753498-25-8

$$$$
Betulinic acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,126)
1126

>  <Formula> (1,126)
C30H48O3

>  <MolWeight> (1,126)
456.70032

>  <Item Name> (1,126)
Betulinic acid

>  <Catalog Number> (1,126)
S3603

>  <Target> (1,126)
N/A

>  <Form> (1,126)
Free Base

>  <URL> (1,126)
http://www.selleckchem.com/products/betulinic-acid.html

>  <CAS Number> (1,126)
472-15-1

$$$$
Triptolide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,127)
1127

>  <Formula> (1,127)
C20H24O6

>  <MolWeight> (1,127)
360.40096

>  <Item Name> (1,127)
Triptolide

>  <Catalog Number> (1,127)
S3604

>  <Synonyms> (1,127)
N/A

>  <Target> (1,127)
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http://www.selleckchem.com/products/4-aminohippuric-acid.html

>  <CAS Number> (1,143)
61-78-9

$$$$
ABILIFY (aripiprazole).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,144)
1144

>  <Formula> (1,144)
C23H27Cl2N3O2

>  <MolWeight> (1,144)
448.38538

>  <Item Name> (1,144)
Aripiprazole (Abilify)

>  <Catalog Number> (1,144)
S1975

>  <Synonyms> (1,144)
N/A

>  <Target> (1,144)
5-HT Receptor

>  <Form> (1,144)
Free Base

>  <URL> (1,144)
http://www.selleckchem.com/products/aripiprazole-abilify.html

>  <CAS Number> (1,144)
129722-12-9

$$$$
Duloxetine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,145)
1145

>  <Formula> (1,145)
C18H20ClNOS

>  <MolWeight> (1,145)
333.8755

>  <Item Name> (1,145)
Duloxetine HCl (Cymbalta)

>  <Catalog Number> (1,145)
S2084

>  <Synonyms> (1,145)
N/A

>  <Target> (1,145)
5-HT Receptor

>  <Form> (1,145)
HCl

>  <URL> (1,145)
http://www.selleckchem.com/products/duloxetine-hcl-cymbalta.html

>  <CAS Number> (1,145)
136434-34-9

$$$$
Almotriptan malate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,146)
1146

>  <Formula> (1,146)
C21H31N3O7S

>  <MolWeight> (1,146)
469.55174

>  <Item Name> (1,146)
Almotriptan malate (Axert)

>  <Catalog Number> (1,146)
S2096

>  <Synonyms> (1,146)
N/A

>  <Target> (1,146)
5-HT Receptor

>  <Form> (1,146)
Malate

>  <URL> (1,146)
http://www.selleckchem.com/products/almotriptan-malate-axert.html

>  <CAS Number> (1,146)
181183-52-8

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,147)
1147

>  <Formula> (1,147)
C19H21ClFNO3

>  <MolWeight> (1,147)
365.8263432

>  <Item Name> (1,147)
Paroxetine HCl

>  <Catalog Number> (1,147)
S3005

>  <Synonyms> (1,147)
N/A

>  <Target> (1,147)
5-HT Receptor

>  <Form> (1,147)
Hydrochloride

>  <URL> (1,147)
http://www.selleckchem.com/products/paroxetine-hcl.html

>  <CAS Number> (1,147)
78246-49-8

$$$$
Terazosin hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,148)
1148

>  <Formula> (1,148)
C19H30ClN5O6

>  <MolWeight> (1,148)
459.9244

>  <Item Name> (1,148)
Terazosin HCl Dihydrate

>  <Catalog Number> (1,148)
S2059

>  <Synonyms> (1,148)
N/A

>  <Target> (1,148)
Adrenergic Receptor

>  <Form> (1,148)
HCl & Dihydrate

>  <URL> (1,148)
http://www.selleckchem.com/products/terazosin-hydrochloride-hytrin.html

>  <CAS Number> (1,148)
70024-40-7

$$$$
Ivabradine hydrocloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,149)
1149

>  <Formula> (1,149)
C27H37ClN2O5

>  <MolWeight> (1,149)
505.04608

>  <Item Name> (1,149)
Ivabradine HCl (Procoralan)

>  <Catalog Number> (1,149)
S2086

>  <Synonyms> (1,149)
N/A

>  <Target> (1,149)
Adrenergic Receptor

>  <Form> (1,149)
HCl

>  <URL> (1,149)
http://www.selleckchem.com/products/ivabradine-hcl-procoralan.html

>  <CAS Number> (1,149)
148849-67-6

$$$$
Betaxolol.cdx
csChFnd80/10101813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
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   13.1003    1.2082    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,150)
1150

>  <Formula> (1,150)
C18H29NO3

>  <MolWeight> (1,150)
307.42776

>  <Item Name> (1,150)
Betaxolol (Betoptic)

>  <Catalog Number> (1,150)
S2091

>  <Synonyms> (1,150)
N/A

>  <Target> (1,150)
Adrenergic Receptor

>  <Form> (1,150)
Free Base

>  <URL> (1,150)
http://www.selleckchem.com/products/betaxolol-betoptic.html

>  <CAS Number> (1,150)
659-18-7

$$$$
Detomidine hydrochloride.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,151)
1151

>  <Formula> (1,151)
C12H15ClN2

>  <MolWeight> (1,151)
222.7139

>  <Item Name> (1,151)
Detomidine HCl

>  <Catalog Number> (1,151)
S2092

>  <Synonyms> (1,151)
N/A

>  <Target> (1,151)
Adrenergic Receptor

>  <Form> (1,151)
HCl

>  <URL> (1,151)
http://www.selleckchem.com/products/detomidine-hcl.html

>  <CAS Number> (1,151)
90038-01-0

$$$$
Cisatracurium besylate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,152)
1152

>  <Formula> (1,152)
C65H82N2O18S2

>  <MolWeight> (1,152)
1243.47918

>  <Item Name> (1,152)
Cisatracurium besylate (Nimbex)

>  <Catalog Number> (1,152)
S2113

>  <Synonyms> (1,152)
N/A

>  <Target> (1,152)
Adrenergic Receptor

>  <Form> (1,152)
Besylate

>  <URL> (1,152)
http://www.selleckchem.com/products/cisatracurium-besylate-nimbex.html

>  <CAS Number> (1,152)
96946-42-8

$$$$
Levosulpiride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,153)
1153

>  <Formula> (1,153)
C15H23N3O4S

>  <MolWeight> (1,153)
341.42582

>  <Item Name> (1,153)
Levosulpiride (Levogastrol)

>  <Catalog Number> (1,153)
S2104

>  <Synonyms> (1,153)
N/A

>  <Target> (1,153)
Dopamine Receptor   

>  <Form> (1,153)
Free Base

>  <URL> (1,153)
http://www.selleckchem.com/products/levosulpiride-levogastrol.html

>  <CAS Number> (1,153)
23672-07-3

$$$$
Trimebutine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,154)
1154

>  <Formula> (1,154)
C22H29NO5

>  <MolWeight> (1,154)
387.46936

>  <Item Name> (1,154)
Trimebutine

>  <Catalog Number> (1,154)
S2085

>  <Synonyms> (1,154)
N/A

>  <Target> (1,154)
Opioid Receptor

>  <Form> (1,154)
Free Base

>  <URL> (1,154)
http://www.selleckchem.com/products/trimebutine.html

>  <CAS Number> (1,154)
39133-31-8

$$$$
Naltrexone hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,155)
1155

>  <Formula> (1,155)
C20H24ClNO4

>  <MolWeight> (1,155)
377.86186

>  <Item Name> (1,155)
Naltrexone HCl

>  <Catalog Number> (1,155)
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303162-79-0

$$$$
TDZD-8.cdx
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Melatonin.cdx
csChFnd80/10101813032D

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73-31-4

$$$$
Felbamate.cdx
csChFnd80/10101813032D

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25451-15-4

$$$$
Fluvoxamine maleate.cdx
csChFnd80/10101813032D

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61718-82-9

$$$$
Oxcarbazepine.cdx
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M  END
>  <Mol_ID> (1,174)
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>  <Formula> (1,174)
C15H12N2O2

>  <MolWeight> (1,174)
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>  <Item Name> (1,174)
Oxcarbazepine

>  <Catalog Number> (1,174)
S1391

>  <Synonyms> (1,174)
Trileptal

>  <Target> (1,174)
Sodium Channel

>  <Form> (1,174)
Free Base

>  <URL> (1,174)
http://www.selleckchem.com/products/Oxcarbazepine.html

>  <CAS Number> (1,174)
28721-07-5

$$$$
H-89.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,175)
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>  <Formula> (1,175)
C20H22BrCl2N3O2S

>  <MolWeight> (1,175)
519.28258

>  <Item Name> (1,175)
H 89 2HCl

>  <Catalog Number> (1,175)
S1582

>  <Synonyms> (1,175)
N/A

>  <Target> (1,175)
S6 Kinase

>  <Form> (1,175)
Dihydrochloride

>  <URL> (1,175)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

>  <CAS Number> (1,175)
130964-39-5

$$$$
NAQUIVAL (trichlormethiazide).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,176)
1176

>  <Formula> (1,176)
C8H8Cl3N3O4S2

>  <MolWeight> (1,176)
380.65582

>  <Item Name> (1,176)
Trichlormethiazide (Achletin)

>  <Catalog Number> (1,176)
S1667

>  <Synonyms> (1,176)
Achletin, Diu-Hydrin, Triflumen

>  <Target> (1,176)
Others

>  <Form> (1,176)
Free Base

>  <URL> (1,176)
http://www.selleckchem.com/products/Trichlormethiazide(Achletin).html

>  <CAS Number> (1,176)
133-67-5

$$$$
PROFENAL (suprofen).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,177)
1177

>  <Formula> (1,177)
C14H12O3S

>  <MolWeight> (1,177)
260.30828

>  <Item Name> (1,177)
Suprofen (Profenal)

>  <Catalog Number> (1,177)
S1761

>  <Synonyms> (1,177)
Profenal, Topalgic, Suprol

>  <Target> (1,177)
COX

>  <Form> (1,177)
Free Base

>  <URL> (1,177)
http://www.selleckchem.com/products/Suprofen(Profenal).html

>  <CAS Number> (1,177)
40828-46-4

$$$$
Pranlukast.cdx
csChFnd80/10101813032D

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1178

>  <Formula> (1,178)
C27H23N5O4

>  <MolWeight> (1,178)
481.50262

>  <Item Name> (1,178)
Pranlukast

>  <Catalog Number> (1,178)
S1829

>  <Synonyms> (1,178)
N/A

>  <Target> (1,178)
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>  <Form> (1,178)
Free Base

>  <URL> (1,178)
http://www.selleckchem.com/products/pranlukast.html

>  <CAS Number> (1,178)
103177-37-3

$$$$
Oxfendazole.cdx
csChFnd80/10101813032D

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   12.9126    4.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,179)
1179

>  <Formula> (1,179)
C15H13N3O3S

>  <MolWeight> (1,179)
315.34702

>  <Item Name> (1,179)
Oxfendazole

>  <Catalog Number> (1,179)
S1830

>  <Synonyms> (1,179)
N/A

>  <Target> (1,179)
Antifection

>  <Form> (1,179)
Free Base

>  <URL> (1,179)
http://www.selleckchem.com/products/oxfendazole.html

>  <CAS Number> (1,179)
53716-50-0

$$$$
Tizanidine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,180)
1180

>  <Formula> (1,180)
C9H9Cl2N5S

>  <MolWeight> (1,180)
290.17226

>  <Item Name> (1,180)
Tizanidine HCl

>  <Catalog Number> (1,180)
S1437

>  <Synonyms> (1,180)
Zanaflex, Sirdalud

>  <Target> (1,180)
Adrenergic Receptor

>  <Form> (1,180)
Hydrochloride

>  <URL> (1,180)
http://www.selleckchem.com/products/Tizanidine-hydrochloride.html

>  <CAS Number> (1,180)
64461-82-1

$$$$
Calcifediol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,181)
1181

>  <Formula> (1,181)
C27H44O2

>  <MolWeight> (1,181)
400.63706

>  <Item Name> (1,181)
Calcifediol

>  <Catalog Number> (1,181)
S1469

>  <Synonyms> (1,181)
Calcidiol, Didrogyl, Hidroferol

>  <Target> (1,181)
Vitamin

>  <Form> (1,181)
Free Base

>  <URL> (1,181)
http://www.selleckchem.com/products/Calcifediol.html

>  <CAS Number> (1,181)
19356-17-3

$$$$
Erythromycin ethylsuccinate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,182)
1182

>  <Formula> (1,182)
C43H75NO16

>  <MolWeight> (1,182)
862.0527

>  <Item Name> (1,182)
Erythromycin Ethylsuccinate

>  <Catalog Number> (1,182)
S4060

>  <Synonyms> (1,182)
N/A

>  <Target> (1,182)
Antifection

>  <Form> (1,182)
Free Base

>  <URL> (1,182)
http://www.selleckchem.com/products/erythromycin-ethylsuccinate.html

>  <CAS Number> (1,182)
1264-62-6

$$$$
Linezolid.cdx
csChFnd80/10101813032D

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Folotyn

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DHFR

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146464-95-1

$$$$
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csChFnd80/10101813032D

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1184

>  <Formula> (1,184)
C20H34O5

>  <MolWeight> (1,184)
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>  <Item Name> (1,184)
Alprostadil(Caverject)

>  <Catalog Number> (1,184)
S1508

>  <Synonyms> (1,184)
Prostaglandin E1, Edex, Muse, Liprostin

>  <Target> (1,184)
Immunology & Inflammation related

>  <Form> (1,184)
Free Base

>  <URL> (1,184)
http://www.selleckchem.com/products/Alprostadil(Caverject).html

>  <CAS Number> (1,184)
745-65-3

$$$$

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1185

>  <Formula> (1,185)
C18H25N3O2

>  <MolWeight> (1,185)
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>  <Item Name> (1,185)
Saxagliptin (BMS-477118,Onglyza)

>  <Catalog Number> (1,185)
S1540

>  <Synonyms> (1,185)
N/A

>  <Target> (1,185)
DPP-4

>  <Form> (1,185)
Free Base

>  <URL> (1,185)
http://www.selleckchem.com/products/Saxagliptin(Onglyza).html

>  <CAS Number> (1,185)
361442-04-8

$$$$
Roxatidine acetate hydrochloride.cdx
csChFnd80/10101813032D

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>  <Formula> (1,186)
C19H29ClN2O4

>  <MolWeight> (1,186)
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>  <Item Name> (1,186)
Roxatidine acetate HCl

>  <Catalog Number> (1,186)
S1880

>  <Synonyms> (1,186)
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>  <Target> (1,186)
Histamine Receptor

>  <Form> (1,186)
Hydrochloride

>  <URL> (1,186)
http://www.selleckchem.com/products/roxatidine-acetate-hcl.html

>  <CAS Number> (1,186)
93793-83-0

$$$$
Protionamide.cdx
csChFnd80/10101813032D

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Free Base

>  <URL> (1,187)
http://www.selleckchem.com/products/protionamide-prothionamide.html

>  <CAS Number> (1,187)
14222-60-7

$$$$
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csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,194)
1194

>  <Formula> (1,194)
C17H9Cl3N4O2

>  <MolWeight> (1,194)
407.63796

>  <Item Name> (1,194)
Diclazuril

>  <Catalog Number> (1,194)
S2028

>  <Synonyms> (1,194)
N/A

>  <Target> (1,194)
Antifection

>  <Form> (1,194)
Free Base

>  <URL> (1,194)
http://www.selleckchem.com/products/diclazuril.html

>  <CAS Number> (1,194)
101831-37-2

$$$$
Flunarizine dihydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,195)
1195

>  <Formula> (1,195)
C26H28Cl2F2N2

>  <MolWeight> (1,195)
477.4167264

>  <Item Name> (1,195)
Flunarizine 2HCl

>  <Catalog Number> (1,195)
S2030

>  <Synonyms> (1,195)
N/A

>  <Target> (1,195)
Calcium Channel

>  <Form> (1,195)
2HCl

>  <URL> (1,195)
http://www.selleckchem.com/products/flunarizine-dihydrochloride.html

>  <CAS Number> (1,195)
30484-77-6

$$$$
Fenticonazole nitrate.cdx
csChFnd80/10101813032D

 34 36  0  0  0  0  0  0  0  0999 V2000
    4.8413    4.9270    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,196)
1196

>  <Formula> (1,196)
C24H21Cl2N3O4S

>  <MolWeight> (1,196)
518.41224

>  <Item Name> (1,196)
Fenticonazole nitrate

>  <Catalog Number> (1,196)
S2031

>  <Synonyms> (1,196)
N/A

>  <Target> (1,196)
Antifection

>  <Form> (1,196)
Nitrate

>  <URL> (1,196)
http://www.selleckchem.com/products/fenticonazole-nitrate.html

>  <CAS Number> (1,196)
73151-29-8

$$$$
Rebamipide.cdx
csChFnd80/10101813032D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,197)
1197

>  <Formula> (1,197)
C19H15ClN2O4

>  <MolWeight> (1,197)
370.7864

>  <Item Name> (1,197)
Rebamipide

>  <Catalog Number> (1,197)
S2032

>  <Synonyms> (1,197)
N/A

>  <Target> (1,197)
Others

>  <Form> (1,197)
Free Base

>  <URL> (1,197)
http://www.selleckchem.com/products/rebamipide.html

>  <CAS Number> (1,197)
90098-04-7

$$$$
Bromhexine hydrochloride.cdx
csChFnd80/10101813032D

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  1 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,198)
1198

>  <Formula> (1,198)
C14H21Br2ClN2

>  <MolWeight> (1,198)
412.59094

>  <Item Name> (1,198)
Bromhexine HCl

>  <Catalog Number> (1,198)
S2060

>  <Synonyms> (1,198)
N/A

>  <Target> (1,198)
Others

>  <Form> (1,198)
HCl

>  <URL> (1,198)
http://www.selleckchem.com/products/bromhexine-hydrochloride.html

>  <CAS Number> (1,198)
611-75-6

$$$$
ADENOSINE (adenosine).cdx
csChFnd80/10101813032D

 30 32  0  0  0  0  0  0  0  0999 V2000
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Lovastatin (Mevacor)

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N/A

>  <Target> (1,199)
HMG-CoA Reductase

>  <Form> (1,199)
Free Base

>  <URL> (1,199)
http://www.selleckchem.com/products/lovastatin-mevacor.html

>  <CAS Number> (1,199)
75330-75-5

$$$$
Tiopronin.cdx
csChFnd80/10101813032D

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>  <Formula> (1,200)
C5H9NO3S

>  <MolWeight> (1,200)
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>  <Item Name> (1,200)
Tiopronin (Thiola)

>  <Catalog Number> (1,200)
S2062

>  <Synonyms> (1,200)
N/A

>  <Target> (1,200)
ROS

>  <Form> (1,200)
Free Base

>  <URL> (1,200)
http://www.selleckchem.com/products/tiopronin-thiola.html

>  <CAS Number> (1,200)
1953-02-2

$$$$
Balofloxacin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,201)
1201

>  <Formula> (1,201)
C20H24FN3O4

>  <MolWeight> (1,201)
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>  <Item Name> (1,201)
Balofloxacin

>  <Catalog Number> (1,201)
S2064

>  <Synonyms> (1,201)
N/A

>  <Target> (1,201)
Topoisomerase

>  <Form> (1,201)
Free Base

>  <URL> (1,201)
http://www.selleckchem.com/products/balofloxacin.html

>  <CAS Number> (1,201)
127294-70-6

$$$$
Lafutidine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,202)
1202

>  <Formula> (1,202)
C22H29N3O4S

>  <MolWeight> (1,202)
431.54836

>  <Item Name> (1,202)
Lafutidine

>  <Catalog Number> (1,202)
S2065

>  <Synonyms> (1,202)
N/A

>  <Target> (1,202)
Histamine Receptor

>  <Form> (1,202)
Free Base

>  <URL> (1,202)
http://www.selleckchem.com/products/lafutidine.html

>  <CAS Number> (1,202)
118288-08-7

$$$$
Moxonidine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,203)
1203

>  <Formula> (1,203)
C9H12ClN5O

>  <MolWeight> (1,203)
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>  <Item Name> (1,203)
Moxonidine

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S2066

>  <Synonyms> (1,203)
N/A

>  <Target> (1,203)
Others

>  <Form> (1,203)
Free Base

>  <URL> (1,203)
http://www.selleckchem.com/products/moxonidine.html

>  <CAS Number> (1,203)
75438-57-2

$$$$
Argatroban.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,204)
1204

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C23H36N6O5S

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Argatroban

>  <Catalog Number> (1,204)
S2069

>  <Synonyms> (1,204)
N/A

>  <Target> (1,204)
Thrombin

>  <Form> (1,204)
Free Base

>  <URL> (1,204)
http://www.selleckchem.com/products/argatroban.html

>  <CAS Number> (1,204)
74863-84-6

$$$$
Mecarbinate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,205)
1205

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C13H15NO3

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S2074

>  <Synonyms> (1,205)
N/A

>  <Target> (1,205)
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>  <Form> (1,205)
Free Base

>  <URL> (1,205)
http://www.selleckchem.com/products/mecarbinate.html

>  <CAS Number> (1,205)
15574-49-9

$$$$
Rosiglitazone hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,206)
1206

>  <Formula> (1,206)
C18H20ClN3O3S

>  <MolWeight> (1,206)
393.8877

>  <Item Name> (1,206)
Rosiglitazone HCl

>  <Catalog Number> (1,206)
S2075

>  <Synonyms> (1,206)
N/A

>  <Target> (1,206)
PPAR

>  <Form> (1,206)
HCl

>  <URL> (1,206)
http://www.selleckchem.com/products/rosiglitazone-hydrochloride.html

>  <CAS Number> (1,206)
302543-62-0

$$$$
Atorvastatin calcium.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,207)
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>  <Formula> (1,207)
C66H68CaF2N4O10

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>  <Item Name> (1,207)
Atorvastatin calcium (Lipitor)

>  <Catalog Number> (1,207)
S2077

>  <Synonyms> (1,207)
N/A

>  <Target> (1,207)
HMG-CoA Reductase

>  <Form> (1,207)
Calcium 

>  <URL> (1,207)
http://www.selleckchem.com/products/atorvastatin-calcium-lipitor.html

>  <CAS Number> (1,207)
134523-03-8

$$$$
Famotidine.cdx
csChFnd80/10101813032D

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1208

>  <Formula> (1,208)
C8H15N7O2S3

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337.4454

>  <Item Name> (1,208)
Famotidine (Pepcid)

>  <Catalog Number> (1,208)
S2078

>  <Synonyms> (1,208)
N/A

>  <Target> (1,208)
Histamine Receptor

>  <Form> (1,208)
Free Base

>  <URL> (1,208)
http://www.selleckchem.com/products/famotidine-pepcid.html

>  <CAS Number> (1,208)
76824-35-6

$$$$
Moexipril hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,209)
1209

>  <Formula> (1,209)
C27H35ClN2O7

>  <MolWeight> (1,209)
535.029

>  <Item Name> (1,209)
Moexipril HCl

>  <Catalog Number> (1,209)
S2079

>  <Synonyms> (1,209)
N/A

>  <Target> (1,209)
RAAS

>  <Form> (1,209)
Hydrochloride

>  <URL> (1,209)
http://www.selleckchem.com/products/moexipril-hydrochloride.html

>  <CAS Number> (1,209)
82586-52-5

$$$$
Cleviprex.cdx
csChFnd80/10101813032D

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1210

>  <Formula> (1,210)
C21H23Cl2NO6

>  <MolWeight> (1,210)
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>  <Item Name> (1,210)
Clevidipine Butyrate

>  <Catalog Number> (1,210)
S2080

>  <Synonyms> (1,210)
N/A

>  <Target> (1,210)
Calcium Channel

>  <Form> (1,210)
Free Base

>  <URL> (1,210)
http://www.selleckchem.com/products/cleviprex-clevidipine.html

>  <CAS Number> (1,210)
167221-71-8

$$$$
Adiphenine hydrochloride.cdx
csChFnd80/10101813032D

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 14  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,211)
1211

>  <Formula> (1,211)
C20H26ClNO2

>  <MolWeight> (1,211)
347.87894

>  <Item Name> (1,211)
Adiphenine HCl

>  <Catalog Number> (1,211)
S2082

>  <Synonyms> (1,211)
N/A

>  <Target> (1,211)
AChR

>  <Form> (1,211)
HCl

>  <URL> (1,211)
http://www.selleckchem.com/products/adiphenine-hcl.html

>  <CAS Number> (1,211)
50-42-0

$$$$
Rivastigmine tartrate.cdx
csChFnd80/10101813032D

 28 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,212)
1212

>  <Formula> (1,212)
C18H28N2O8

>  <MolWeight> (1,212)
400.42352

>  <Item Name> (1,212)
Rivastigmine tartrate (Exelon)

>  <Catalog Number> (1,212)
S2087

>  <Synonyms> (1,212)
N/A

>  <Target> (1,212)
AChR

>  <Form> (1,212)
Tartrate

>  <URL> (1,212)
http://www.selleckchem.com/products/rivastigmine-tartrate-exelon.html

>  <CAS Number> (1,212)
129101-54-8

$$$$
Dexmedetomidine hydrochloride.cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.6364    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 15  1  6  0  0  0
M  END
>  <Mol_ID> (1,213)
1213

>  <Formula> (1,213)
C13H17ClN2

>  <MolWeight> (1,213)
236.74048

>  <Item Name> (1,213)
Dexmedetomidine HCl (Precedex)

>  <Catalog Number> (1,213)
S2090

>  <Synonyms> (1,213)
N/A

>  <Target> (1,213)
Androgen Receptor

>  <Form> (1,213)
HCl

>  <URL> (1,213)
http://www.selleckchem.com/products/dexmedetomidine-hcl-precedex.html

>  <CAS Number> (1,213)
145108-58-3

$$$$
Ambrisentan.cdx
csChFnd80/10101813032D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,214)
1214

>  <Formula> (1,214)
C22H22N2O4

>  <MolWeight> (1,214)
378.42108

>  <Item Name> (1,214)
Ambrisentan

>  <Catalog Number> (1,214)
S2097

>  <Synonyms> (1,214)
N/A

>  <Target> (1,214)
Endothelin Receptor

>  <Form> (1,214)
Free Base

>  <URL> (1,214)
http://www.selleckchem.com/products/ambrisentan.html

>  <CAS Number> (1,214)
177036-94-1

$$$$
Bexarotene.cdx
csChFnd80/10101813032D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,215)
1215

>  <Formula> (1,215)
C24H28O2

>  <MolWeight> (1,215)
348.47792

>  <Item Name> (1,215)
Bexarotene

>  <Catalog Number> (1,215)
S2098

>  <Synonyms> (1,215)
N/A

>  <Target> (1,215)
Retinoid Receptor

>  <Form> (1,215)
Free Base

>  <URL> (1,215)
http://www.selleckchem.com/products/bexarotene.html

>  <CAS Number> (1,215)
153559-49-0

$$$$
Temocapril hydrochloride.cdx
csChFnd80/10101813032D

 33 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,216)
1216

>  <Formula> (1,216)
C23H29ClN2O5S2

>  <MolWeight> (1,216)
513.06976

>  <Item Name> (1,216)
Temocapril HCl

>  <Catalog Number> (1,216)
S2099

>  <Synonyms> (1,216)
N/A

>  <Target> (1,216)
RAAS

>  <Form> (1,216)
Hydrochloride

>  <URL> (1,216)
http://www.selleckchem.com/products/temocapril-hcl.html

>  <CAS Number> (1,216)
110221-44-8

$$$$
Gabexate mesylate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,217)
1217

>  <Formula> (1,217)
C17H27N3O7S

>  <MolWeight> (1,217)
417.47718

>  <Item Name> (1,217)
Gabexate mesylate

>  <Catalog Number> (1,217)
S2101

>  <Synonyms> (1,217)
N/A

>  <Target> (1,217)
Proteasome

>  <Form> (1,217)
Mesylate

>  <URL> (1,217)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (1,217)
56974-61-9

$$$$
Rasagiline mesylate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,218)
1218

>  <Formula> (1,218)
C13H17NO3S

>  <MolWeight> (1,218)
267.34398

>  <Item Name> (1,218)
Rasagiline mesylate

>  <Catalog Number> (1,218)
S2102

>  <Synonyms> (1,218)
N/A

>  <Target> (1,218)
MAO

>  <Form> (1,218)
Mesylate

>  <URL> (1,218)
http://www.selleckchem.com/products/rasagiline-mesylate.html

>  <CAS Number> (1,218)
161735-79-1

$$$$
Flunixin meglumine.cdx
csChFnd80/10101813032D

 34 34  0  0  0  0  0  0  0  0999 V2000
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 22 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,219)
1219

>  <Formula> (1,219)
C21H28F3N3O7

>  <MolWeight> (1,219)
491.4581296

>  <Item Name> (1,219)
Flunixin meglumin

>  <Catalog Number> (1,219)
S2108

>  <Synonyms> (1,219)
N/A

>  <Target> (1,219)
COX

>  <Form> (1,219)
Meglumin

>  <URL> (1,219)
http://www.selleckchem.com/products/flunixin-meglumin.html

>  <CAS Number> (1,219)
42461-84-7

$$$$
Dronedarone hydrochloride.cdx
csChFnd80/10101813032D

 40 41  0  0  0  0  0  0  0  0999 V2000
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 32 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (1,220)
1220

>  <Formula> (1,220)
C31H45ClN2O5S

>  <MolWeight> (1,220)
593.2174

>  <Item Name> (1,220)
Dronedarone HCl (Multaq)

>  <Catalog Number> (1,220)
S2114

>  <Synonyms> (1,220)
N/A

>  <Target> (1,220)
Potassium Channel,Sodium

>  <Form> (1,220)
HCl

>  <URL> (1,220)
http://www.selleckchem.com/products/dronedarone-hcl-multaq.html

>  <CAS Number> (1,220)
141625-93-6

$$$$
Conivaptan hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,221)
1221

>  <Formula> (1,221)
C32H27ClN4O2

>  <MolWeight> (1,221)
535.03538

>  <Item Name> (1,221)
Conivaptan HCl (Vaprisol)

>  <Catalog Number> (1,221)
S2116

>  <Synonyms> (1,221)
N/A

>  <Target> (1,221)
Vasopressin Receptor

>  <Form> (1,221)
HCl

>  <URL> (1,221)
http://www.selleckchem.com/products/conivaptan-hcl-vaprisol.html

>  <CAS Number> (1,221)
168626-94-6

$$$$

csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,222)
1222

>  <Formula> (1,222)
C44H76N4O10S2

>  <MolWeight> (1,222)
885.22504

>  <Item Name> (1,222)
Ibutilide fumarate

>  <Catalog Number> (1,222)
S2118

>  <Synonyms> (1,222)
N/A

>  <Target> (1,222)
Sodium Channel

>  <Form> (1,222)
Fumarate

>  <URL> (1,222)
http://www.selleckchem.com/products/ibutilide-fumarate.html

>  <CAS Number> (1,222)
122647-32-9

$$$$
LORELCO (probucol).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,223)
1223

>  <Formula> (1,223)
C31H48O2S2

>  <MolWeight> (1,223)
516.84162

>  <Item Name> (1,223)
Probucol

>  <Catalog Number> (1,223)
S2119

>  <Synonyms> (1,223)
N/A

>  <Target> (1,223)
Others

>  <Form> (1,223)
Free Base

>  <URL> (1,223)
http://www.selleckchem.com/products/probucol.html

>  <CAS Number> (1,223)
23288-49-5

$$$$
Arbidol hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,224)
1224

>  <Formula> (1,224)
C22H26BrClN2O3S

>  <MolWeight> (1,224)
513.87544

>  <Item Name> (1,224)
Arbidol HCl

>  <Catalog Number> (1,224)
S2120

>  <Synonyms> (1,224)
N/A

>  <Target> (1,224)
Antifection

>  <Form> (1,224)
Hydrochloride

>  <URL> (1,224)
http://www.selleckchem.com/products/Arbidol-hcl.html

>  <CAS Number> (1,224)
131707-23-8

$$$$
Levosimendan.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,225)
1225

>  <Formula> (1,225)
C14H12N6O

>  <MolWeight> (1,225)
280.28468

>  <Item Name> (1,225)
Levosimendan

>  <Catalog Number> (1,225)
S2446

>  <Synonyms> (1,225)
N/A

>  <Target> (1,225)
Calcium Channel

>  <Form> (1,225)
Free Base

>  <URL> (1,225)
http://www.selleckchem.com/products/levosimendan.html

>  <CAS Number> (1,225)
141505-33-1

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,226)
1226

>  <Formula> (1,226)
C24H30F2O6

>  <MolWeight> (1,226)
452.4882064

>  <Item Name> (1,226)
Fluocinolone acetonide (Flucort-N)

>  <Catalog Number> (1,226)
S2470

>  <Synonyms> (1,226)
Flucort-N

>  <Target> (1,226)
Glucocorticoid Receptor

>  <Form> (1,226)
Free Base

>  <URL> (1,226)
http://www.selleckchem.com/products/Fluocinolone-acetonide(Flucort-N).html

>  <CAS Number> (1,226)
67-73-2

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,227)
1227

>  <Formula> (1,227)
C18H23Cl2NO

>  <MolWeight> (1,227)
340.28732

>  <Item Name> (1,227)
Phenoxybenzamine HCl

>  <Catalog Number> (1,227)
S2499

>  <Synonyms> (1,227)
N/A

>  <Target> (1,227)
Androgen Receptor

>  <Form> (1,227)
HCl

>  <URL> (1,227)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

>  <CAS Number> (1,227)
63-92-3

$$$$
Propafenone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,228)
1228

>  <Formula> (1,228)
C21H27NO3

>  <MolWeight> (1,228)
341.44398

>  <Item Name> (1,228)
Propafenone HCl

>  <Catalog Number> (1,228)
S2500

>  <Synonyms> (1,228)
Rythmol SR, Rytmonorm

>  <Target> (1,228)
Sodium Channel

>  <Form> (1,228)
Hydrochloride

>  <URL> (1,228)
http://www.selleckchem.com/products/Propafenone(Rytmonorm).html

>  <CAS Number> (1,228)
34183-22-7

$$$$
Roxithromycin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,229)
1229

>  <Formula> (1,229)
C41H76N2O15

>  <MolWeight> (1,229)
837.04654

>  <Item Name> (1,229)
Roxithromycin (Roxl-150)

>  <Catalog Number> (1,229)
S2506

>  <Synonyms> (1,229)
Roxl-150, Roxo, Surlid, Rulide, Biaxsig, Roxar, Roximycin, Roxomycin, Tirabicin, Coroxin

>  <Target> (1,229)
Antifection

>  <Form> (1,229)
Free Base

>  <URL> (1,229)
http://www.selleckchem.com/products/Roxithromycin(Roxl-150).html

>  <CAS Number> (1,229)
80214-83-1

$$$$
Tenoxicam.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,230)
1230

>  <Formula> (1,230)
C13H11N3O4S2

>  <MolWeight> (1,230)
337.37414

>  <Item Name> (1,230)
Tenoxicam(Mobiflex)

>  <Catalog Number> (1,230)
S2512

>  <Synonyms> (1,230)
Mobiflex

>  <Target> (1,230)
COX

>  <Form> (1,230)
Free Base

>  <URL> (1,230)
http://www.selleckchem.com/products/Tenoxicam(Mobiflex).html

>  <CAS Number> (1,230)
59804-37-4

$$$$
Sulbactam sodium.cdx
csChFnd80/10101813032D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,231)
1231

>  <Formula> (1,231)
C8H10NNaO5S

>  <MolWeight> (1,231)
255.22347

>  <Item Name> (1,231)
Sulbactam sodium (Unasyn)

>  <Catalog Number> (1,231)
S2551

>  <Synonyms> (1,231)
N/A

>  <Target> (1,231)
Antifection

>  <Form> (1,231)
Sodium  salt

>  <URL> (1,231)
http://www.selleckchem.com/products/sulbactam-sodium-unasyn.html

>  <CAS Number> (1,231)
69388-84-7

$$$$
Xylometazoline hydrochloride.cdx
csChFnd80/10101813032D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,232)
1232

>  <Formula> (1,232)
C16H25ClN2

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280.8361

>  <Item Name> (1,232)
Xylometazoline HCl

>  <Catalog Number> (1,232)
S2576

>  <Synonyms> (1,232)
N/A

>  <Target> (1,232)
Adrenergic Receptor

>  <Form> (1,232)
HCl

>  <URL> (1,232)
http://www.selleckchem.com/products/xylometazoline-hcl.html

>  <CAS Number> (1,232)
1218-35-5

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,233)
1233

>  <Formula> (1,233)
C19H19N3O6

>  <MolWeight> (1,233)
385.37066

>  <Item Name> (1,233)
Nilvadipine (ARC029)

>  <Catalog Number> (1,233)
S2721

>  <Synonyms> (1,233)
N/A

>  <Target> (1,233)
Calcium Channel

>  <Form> (1,233)
Free Base

>  <URL> (1,233)
http://www.selleckchem.com/products/nilvadipine-arc029.html

>  <CAS Number> (1,233)
75530-68-6

$$$$
Carbazochrome sodium sulfonate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,234)
1234

>  <Formula> (1,234)
C10H11N4NaO5S

>  <MolWeight> (1,234)
322.27291

>  <Item Name> (1,234)
Carbazochrome sodium sulfonate

>  <Catalog Number> (1,234)
S3000

>  <Synonyms> (1,234)
N/A

>  <Target> (1,234)
Others

>  <Form> (1,234)
Sodium

>  <URL> (1,234)
http://www.selleckchem.com/products/carbazochrome-sodium-sulfonate.html

>  <CAS Number> (1,234)
51460-26-5

$$$$
Clevudine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,235)
1235

>  <Formula> (1,235)
C10H13FN2O5

>  <MolWeight> (1,235)
260.2190232

>  <Item Name> (1,235)
Clevudine (Levovir)

>  <Catalog Number> (1,235)
S3001

>  <Synonyms> (1,235)
N/A

>  <Target> (1,235)
Others

>  <Form> (1,235)
Free Base

>  <URL> (1,235)
http://www.selleckchem.com/products/clevudine-levovir.html

>  <CAS Number> (1,235)
163252-36-6

$$$$
Zaltoprofen.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,236)
1236

>  <Formula> (1,236)
C17H14O3S

>  <MolWeight> (1,236)
298.35626

>  <Item Name> (1,236)
Zaltoprofen

>  <Catalog Number> (1,236)
S3008

>  <Synonyms> (1,236)
N/A

>  <Target> (1,236)
COX

>  <Form> (1,236)
Free Base

>  <URL> (1,236)
http://www.selleckchem.com/products/zaltoprofen.html

>  <CAS Number> (1,236)
74711-43-6

$$$$
Pazopanib.cdx
csChFnd80/10101813032D

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VEGFR

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Free Base

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http://www.selleckchem.com/products/pazopanib.html

>  <CAS Number> (1,237)
444731-52-6

$$$$
amoxicillin.cdx
csChFnd80/10101813032D

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C16H19N3O5S

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Amoxicillin (Amoxycillin)

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S3015

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N/A

>  <Target> (1,238)
Antifection

>  <Form> (1,238)
Free Base

>  <URL> (1,238)
http://www.selleckchem.com/products/amoxicillin-amoxycillin.html

>  <CAS Number> (1,238)
26787-78-0

$$$$
aspirin.cdx
csChFnd80/10101813032D

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1239

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C9H8O4

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Aspirin (Acetylsalicylic acid)

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S3017

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N/A

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COX

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Free Base

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http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

>  <CAS Number> (1,239)
50-78-2

$$$$
Niflumic acid.cdx
csChFnd80/10101813032D

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C13H9F3N2O2

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Niflumic acid

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N/A

>  <Target> (1,240)
GABA Receptor

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Free Base

>  <URL> (1,240)
http://www.selleckchem.com/products/niflumic-acid.html

>  <CAS Number> (1,240)
4394-00-7

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/10101813032D

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>  <Formula> (1,241)
C25H35N3O6S

>  <MolWeight> (1,241)
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Amprenavir (Agenerase)

>  <Catalog Number> (1,241)
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>  <Synonyms> (1,241)
Agenerase

>  <Target> (1,241)
HIV Protease

>  <Form> (1,241)
Free Base

>  <URL> (1,241)
http://www.selleckchem.com/products/Amprenavir-(Agenerase).html

>  <CAS Number> (1,241)
161814-49-9

$$$$
PREZISTA (darunavir ethanolate).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,242)
1242

>  <Formula> (1,242)
C29H43N3O8S

>  <MolWeight> (1,242)
593.73202

>  <Item Name> (1,242)
Darunavir Ethanolate (Prezista)

>  <Catalog Number> (1,242)
S1620

>  <Synonyms> (1,242)
Prezista, TMC114

>  <Target> (1,242)
HIV Protease

>  <Form> (1,242)
Ethanolate

>  <URL> (1,242)
http://www.selleckchem.com/products/Darunavir-Ethanolate(Prezista).html

>  <CAS Number> (1,242)
635728-49-3

$$$$
Proparacaine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,243)
1243

>  <Formula> (1,243)
C16H27ClN2O3

>  <MolWeight> (1,243)
330.85018

>  <Item Name> (1,243)
Proparacaine HCl

>  <Catalog Number> (1,243)
S1828

>  <Synonyms> (1,243)
N/A

>  <Target> (1,243)
Sodium Channel

>  <Form> (1,243)
Hydrochloride

>  <URL> (1,243)
http://www.selleckchem.com/products/proparacaine-hcl.html

>  <CAS Number> (1,243)
5875-06-9

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,244)
1244

>  <Formula> (1,244)
C18H14N4O5S

>  <MolWeight> (1,244)
398.39256

>  <Item Name> (1,244)
Sulfasalazine (Azulfidine)

>  <Catalog Number> (1,244)
S1576

>  <Synonyms> (1,244)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (1,244)
COX,NF-¦ÊB

>  <Form> (1,244)
Free Base

>  <URL> (1,244)
http://www.selleckchem.com/products/Sulfasalazine(Azulfidine).html

>  <CAS Number> (1,244)
599-79-1

$$$$
LY 2484595.cdx
csChFnd80/10101813032D

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778270-11-4

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63208-82-2

$$$$
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1867-73-8

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M  END
>  <Mol_ID> (1,251)
1251

>  <Formula> (1,251)
C23H30ClN7O6

>  <MolWeight> (1,251)
535.9806

>  <Item Name> (1,251)
CGS 21680 HCl

>  <Catalog Number> (1,251)
S2153

>  <Synonyms> (1,251)
N/A

>  <Target> (1,251)
5-alpha Reductase

>  <Form> (1,251)
Hydrochloride

>  <URL> (1,251)
http://www.selleckchem.com/products/CGS-21680-hydrochloride.html

>  <CAS Number> (1,251)
124431-80-7

$$$$
Epiandrosterone.cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,252)
1252

>  <Formula> (1,252)
C19H30O2

>  <MolWeight> (1,252)
290.4403

>  <Item Name> (1,252)
Epiandrosterone (3¦Â-androsterone)

>  <Catalog Number> (1,252)
S2832

>  <Synonyms> (1,252)
N/A

>  <Target> (1,252)
Estrogen/progestogen Receptor

>  <Form> (1,252)
Free Base

>  <URL> (1,252)
http://www.selleckchem.com/products/epiandrosterone-3beta-androsterone.html

>  <CAS Number> (1,252)
481-29-8

$$$$
Cathepsin Inhibitor 1.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,253)
1253

>  <Formula> (1,253)
C20H24ClN5O2

>  <MolWeight> (1,253)
401.88986

>  <Item Name> (1,253)
Cathepsin Inhibitor 1

>  <Catalog Number> (1,253)
S2847

>  <Synonyms> (1,253)
N/A

>  <Target> (1,253)
Cysteine Protease

>  <Form> (1,253)
Free Base

>  <URL> (1,253)
http://www.selleckchem.com/products/cathepsin-Inhibitor-1.html

>  <CAS Number> (1,253)
225120-65-0

$$$$

csChFnd80/10101813032D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,254)
1254

>  <Formula> (1,254)
C22H23ClKN6O

>  <MolWeight> (1,254)
462.00892

>  <Item Name> (1,254)
Losartan potassium

>  <Catalog Number> (1,254)
S1359

>  <Synonyms> (1,254)
Cozaar

>  <Target> (1,254)
RAAS

>  <Form> (1,254)
Potassium salt

>  <URL> (1,254)
http://www.selleckchem.com/products/losartan-potassium.html

>  <CAS Number> (1,254)
124750-99-8

$$$$
ZAGAM (sparfloxacin).cdx
csChFnd80/10101813032D

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http://www.selleckchem.com/products/sparfloxacin.html

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110871-86-8

$$$$
Tolnaftate.cdx
csChFnd80/10101813032D

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Tolnaftate

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http://www.selleckchem.com/products/tolnaftate.html

>  <CAS Number> (1,256)
2398-96-1

$$$$
Ozagrel hydrochloride.cdx
csChFnd80/10101813032D

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C13H13ClN2O2

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Ozagrel HCl 

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P450 (e.g. CYP17)

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HCl 

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http://www.selleckchem.com/products/ozagrel-hydrochloride.html

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78712-43-3

$$$$
Arecoline hydrobromide.cdx
csChFnd80/10101813032D

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AChR

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HBr

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>  <CAS Number> (1,258)
300-08-3 

$$$$
OSI-906.cdx
csChFnd80/10101813032D

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IGF-1R

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http://www.selleckchem.com/products/OSI-906.html

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867160-71-2

$$$$
aicar.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,260)
1260

>  <Formula> (1,260)
C9H14N4O5

>  <MolWeight> (1,260)
258.23126

>  <Item Name> (1,260)
AICAR (Acadesine)

>  <Catalog Number> (1,260)
S1802

>  <Synonyms> (1,260)
AICAR, AICA-riboside

>  <Target> (1,260)
AMPK

>  <Form> (1,260)
Free Base

>  <URL> (1,260)
http://www.selleckchem.com/products/Acadesine.html

>  <CAS Number> (1,260)
2627-69-2

$$$$
Cobicistat (GS-9350).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,261)
1261

>  <Formula> (1,261)
C40H53N7O5S2

>  <MolWeight> (1,261)
776.02272

>  <Item Name> (1,261)
Cobicistat (GS-9350)

>  <Catalog Number> (1,261)
S2900

>  <Synonyms> (1,261)
N/A

>  <Target> (1,261)
P450 (e.g. CYP17)

>  <Form> (1,261)
Free Base

>  <URL> (1,261)
http://www.selleckchem.com/products/cobicistat-gs-9350.html

>  <CAS Number> (1,261)
1004316-88-4

$$$$
Pergolide mesylate salt.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,262)
1262

>  <Formula> (1,262)
C20H30N2O3S2

>  <MolWeight> (1,262)
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>  <Item Name> (1,262)
Pergolide mesylate

>  <Catalog Number> (1,262)
S4000

>  <Synonyms> (1,262)
N/A

>  <Target> (1,262)
Dopamine Receptor

>  <Form> (1,262)
Mesylate

>  <URL> (1,262)
http://www.selleckchem.com/products/Pergolide-mesylate.html

>  <CAS Number> (1,262)
66104-23-2

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/10101813032D

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N/A

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VEGFR

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Malate

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http://www.selleckchem.com/products/cabozantinib-malate.html

>  <CAS Number> (1,263)
1140909-48-3

$$$$
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PF-04708671

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S6 Kinase

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Free Base

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http://www.selleckchem.com/products/pf-4708671.html

>  <CAS Number> (1,264)
1255517-76-0

$$$$
PF-04981517.cdx
csChFnd80/10101813032D

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PF-04981517

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P450

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Free Base

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http://www.selleckchem.com/products/pf-4981517.html

>  <CAS Number> (1,265)
1390637-82-7

$$$$
PF-04171426.cdx
csChFnd80/10101813032D

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UK-383367

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Procollagen C Proteinase

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Free Base

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http://www.selleckchem.com/products/uk-383367.html

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348622-88-8

$$$$
PF-05208749.cdx
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Bazedoxifene HCl

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PF-05208749 HCl

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Estrogen/progestin receptor

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Hydrochloride

>  <URL> (1,267)
http://www.selleckchem.com/products/bazedoxifene-hcl.html

>  <CAS Number> (1,267)
198480-56-7

$$$$
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34381-68-5

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TRPV

>  <Form> (1,277)
Free Base

>  <URL> (1,277)
http://www.selleckchem.com/products/probenecid-benemid.html

>  <CAS Number> (1,277)
57-66-9

$$$$
procaine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,278)
1278

>  <Formula> (1,278)
C13H21ClN2O2

>  <MolWeight> (1,278)
272.77104

>  <Item Name> (1,278)
Procaine (Novocaine) HCl

>  <Catalog Number> (1,278)
S4023

>  <Synonyms> (1,278)
N/A

>  <Target> (1,278)
Sodium Channel

>  <Form> (1,278)
HCl

>  <URL> (1,278)
http://www.selleckchem.com/products/procaine-novocaine-hcl.html

>  <CAS Number> (1,278)
51-05-8

$$$$
sennoside A.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,279)
1279

>  <Formula> (1,279)
C42H38O20

>  <MolWeight> (1,279)
862.73912

>  <Item Name> (1,279)
Sennoside A

>  <Catalog Number> (1,279)
S4033

>  <Synonyms> (1,279)
N/A

>  <Target> (1,279)
Others

>  <Form> (1,279)
Free Base

>  <URL> (1,279)
http://www.selleckchem.com/products/sennoside-a.html

>  <CAS Number> (1,279)
81-27-6

$$$$
sennoside B.cdx
csChFnd80/10101813032D

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Sennoside B

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N/A

>  <Target> (1,280)
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>  <Form> (1,280)
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>  <URL> (1,280)
http://www.selleckchem.com/products/sennoside-b.html

>  <CAS Number> (1,280)
128-57-4

$$$$
Sodium picosulfate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,281)
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>  <Formula> (1,281)
C18H13NNa2O8S2

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Sodium Picosulfate

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S4020

>  <Synonyms> (1,281)
Sodium Picosulphate

>  <Target> (1,281)
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>  <Form> (1,281)
Sodium Salt

>  <URL> (1,281)
http://www.selleckchem.com/products/sodium-picosulfate.html

>  <CAS Number> (1,281)
10040-45-6

$$$$
Tolcapone.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,282)
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>  <Formula> (1,282)
C14H11NO5

>  <MolWeight> (1,282)
273.24084

>  <Item Name> (1,282)
Tolcapone

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S4021

>  <Synonyms> (1,282)
N/A

>  <Target> (1,282)
Transferase

>  <Form> (1,282)
Free Base

>  <URL> (1,282)
http://www.selleckchem.com/products/tolcapone.html

>  <CAS Number> (1,282)
134308-13-7

$$$$
JNK-IN-8.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,283)
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C29H29N7O2

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JNK-IN-8

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>  <Synonyms> (1,283)
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>  <Target> (1,283)
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Free Base

>  <URL> (1,283)
http://www.selleckchem.com/products/jnk-in-8.html

>  <CAS Number> (1,283)
1410880-22-6

$$$$
methazolamide.cdx
csChFnd80/10101813032D

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>  <Formula> (1,284)
C5H8N4O3S2

>  <MolWeight> (1,284)
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Methazolamide

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S4039

>  <Synonyms> (1,284)
N/A

>  <Target> (1,284)
Carbonic Anhydrase

>  <Form> (1,284)
Free Base

>  <URL> (1,284)
http://www.selleckchem.com/products/methazolamide.html

>  <CAS Number> (1,284)
554-57-4

$$$$
QNZ.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,290)
1290

>  <Formula> (1,290)
C17H18Cl3N

>  <MolWeight> (1,290)
342.69052

>  <Item Name> (1,290)
Sertraline HCl

>  <Catalog Number> (1,290)
S4053

>  <Synonyms> (1,290)
N/A

>  <Target> (1,290)
5-HT Receptor

>  <Form> (1,290)
HCl

>  <URL> (1,290)
http://www.selleckchem.com/products/sertraline-hcl.html

>  <CAS Number> (1,290)
79559-97-0

$$$$
methyclothiazide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,291)
1291

>  <Formula> (1,291)
C9H11Cl2N3O4S2

>  <MolWeight> (1,291)
360.23734

>  <Item Name> (1,291)
Methyclothiazide

>  <Catalog Number> (1,291)
S4057

>  <Synonyms> (1,291)
N/A

>  <Target> (1,291)
Others

>  <Form> (1,291)
Free Base

>  <URL> (1,291)
http://www.selleckchem.com/products/methyclothiazide.html

>  <CAS Number> (1,291)
135-07-9

$$$$
retapamulin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,292)
1292

>  <Formula> (1,292)
C30H47NO4S

>  <MolWeight> (1,292)
517.76348

>  <Item Name> (1,292)
Retapamulin

>  <Catalog Number> (1,292)
S4056

>  <Synonyms> (1,292)
N/A

>  <Target> (1,292)
Antifection

>  <Form> (1,292)
Free Base

>  <URL> (1,292)
http://www.selleckchem.com/products/retapamulin.html

>  <CAS Number> (1,292)
224452-66-8

$$$$
ronidazole.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,293)
1293

>  <Formula> (1,293)
C6H8N4O4

>  <MolWeight> (1,293)
200.15212

>  <Item Name> (1,293)
Ronidazole

>  <Catalog Number> (1,293)
S4062

>  <Synonyms> (1,293)
N/A

>  <Target> (1,293)
Antifection

>  <Form> (1,293)
Free Base

>  <URL> (1,293)
http://www.selleckchem.com/products/ronidazole.html

>  <CAS Number> (1,293)
7681-76-7

$$$$
ropivacaine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,294)
1294

>  <Formula> (1,294)
C17H27ClN2O

>  <MolWeight> (1,294)
310.86208

>  <Item Name> (1,294)
Ropivacaine HCl

>  <Catalog Number> (1,294)
S4058

>  <Synonyms> (1,294)
N/A

>  <Target> (1,294)
Sodium Channel

>  <Form> (1,294)
HCl

>  <URL> (1,294)
http://www.selleckchem.com/products/ropivacaine-hcl.html

>  <CAS Number> (1,294)
98717-15-8

$$$$
Vitamin D3.cdx
csChFnd80/10101813032D

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  2 29  1  6  0  0  0
M  END
>  <Mol_ID> (1,295)
1295

>  <Formula> (1,295)
C27H44O

>  <MolWeight> (1,295)
384.63766

>  <Item Name> (1,295)
Vitamin D3 (Cholecalciferol)

>  <Catalog Number> (1,295)
S4063

>  <Synonyms> (1,295)
N/A

>  <Target> (1,295)
Vitamin

>  <Form> (1,295)
Free Base

>  <URL> (1,295)
http://www.selleckchem.com/products/vitamin-d3-cholecalciferol.html

>  <CAS Number> (1,295)
67-97-0

$$$$
Nafcillin sodium monohydrate.cdx
csChFnd80/10101813032D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,296)
1296

>  <Formula> (1,296)
C21H23N2NaO6S

>  <MolWeight> (1,296)
454.47189

>  <Item Name> (1,296)
Nafcillin Sodium

>  <Catalog Number> (1,296)
S4042

>  <Synonyms> (1,296)
N/A

>  <Target> (1,296)
Antifection

>  <Form> (1,296)
sodium Salt

>  <URL> (1,296)
http://www.selleckchem.com/products/nafcillin-sodium.html

>  <CAS Number> (1,296)
7177-50-6

$$$$
norethindrone.cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2768    2.8008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,297)
1297

>  <Formula> (1,297)
C20H26O2

>  <MolWeight> (1,297)
298.41924

>  <Item Name> (1,297)
Norethindrone (Norethisterone)

>  <Catalog Number> (1,297)
S4040

>  <Synonyms> (1,297)
N/A

>  <Target> (1,297)
Others

>  <Form> (1,297)
Free Base

>  <URL> (1,297)
http://www.selleckchem.com/products/norethindrone-norethisterone.html

>  <CAS Number> (1,297)
68-22-4

$$$$
olsalazine sodium.cdx
csChFnd80/10101813032D

 24 23  0  0  0  0  0  0  0  0999 V2000
    2.0951    2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1056    4.9583    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 14  9  1  0  0  0  0
  6 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
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 19 21  2  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,298)
1298

>  <Formula> (1,298)
C14H8N2Na2O6

>  <MolWeight> (1,298)
346.20266

>  <Item Name> (1,298)
Olsalazine Sodium

>  <Catalog Number> (1,298)
S4041

>  <Synonyms> (1,298)
N/A

>  <Target> (1,298)
Antifection

>  <Form> (1,298)
Disodium Salt

>  <URL> (1,298)
http://www.selleckchem.com/products/olsalazine-sodium.html

>  <CAS Number> (1,298)
6054-98-4

$$$$
Tetrahydrozoline hydrochloride.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    4.9656    3.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2971    2.6027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1200    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2971    4.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    2.2152    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5579    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9832    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1463    2.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,299)
1299

>  <Formula> (1,299)
C13H17ClN2

>  <MolWeight> (1,299)
236.74048

>  <Item Name> (1,299)
Tetrahydrozoline HCl

>  <Catalog Number> (1,299)
S4043

>  <Synonyms> (1,299)
N/A

>  <Target> (1,299)
Adrenergic Receptor

>  <Form> (1,299)
hydrochloride

>  <URL> (1,299)
http://www.selleckchem.com/products/tetrahydrozoline-hcl.html

>  <CAS Number> (1,299)
522-48-5

$$$$
Toltrazuril.cdx
csChFnd80/10101813032D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,300)
1300

>  <Formula> (1,300)
C18H14F3N3O4S

>  <MolWeight> (1,300)
425.3816696

>  <Item Name> (1,300)
Toltrazuril

>  <Catalog Number> (1,300)
S4044

>  <Synonyms> (1,300)
N/A

>  <Target> (1,300)
Antifection

>  <Form> (1,300)
Free Base

>  <URL> (1,300)
http://www.selleckchem.com/products/toltrazuril.html

>  <CAS Number> (1,300)
69004-03-1

$$$$
Dibucaine HCL.cdx
csChFnd80/10101813032D

 26 26  0  0  0  0  0  0  0  0999 V2000
    2.4324    5.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,301)
1301

>  <Formula> (1,301)
C20H30ClN3O2

>  <MolWeight> (1,301)
379.9241

>  <Item Name> (1,301)
Dibucaine (Cinchocaine) HCl

>  <Catalog Number> (1,301)
S4038

>  <Synonyms> (1,301)
N/A

>  <Target> (1,301)
Sodium Channel

>  <Form> (1,301)
hydrochloride

>  <URL> (1,301)
http://www.selleckchem.com/products/dibucaine-cinchocaine-hcl.html

>  <CAS Number> (1,301)
61-12-1

$$$$
Diphemanil methylsulfate.cdx
csChFnd80/10101813032D

 27 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  CFW   0 B_NG_STER 2
M  END
>  <Mol_ID> (1,302)
1302

>  <Formula> (1,302)
C21H27NO4S

>  <MolWeight> (1,302)
389.50838

>  <Item Name> (1,302)
Diphemanil Methylsulfate

>  <Catalog Number> (1,302)
S4034

>  <Synonyms> (1,302)
N/A

>  <Target> (1,302)
AChR

>  <Form> (1,302)
Methylsulfate

>  <URL> (1,302)
http://www.selleckchem.com/products/diphemanil-methylsulfate.html

>  <CAS Number> (1,302)
62-97-5

$$$$
Doxapram HCl.cdx
csChFnd80/10101813032D

 30 31  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
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 13  3  1  0  0  0  0
 10  4  1  0  0  0  0
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 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 18  8  2  0  0  0  0
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 21  9  1  0  0  0  0
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 22 13  1  0  0  0  0
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 28 23  1  0  0  0  0
 27 24  2  0  0  0  0
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M  END
>  <Mol_ID> (1,303)
1303

>  <Formula> (1,303)
C24H33ClN2O3

>  <MolWeight> (1,303)
432.98342

>  <Item Name> (1,303)
Doxapram HCl

>  <Catalog Number> (1,303)
S4037

>  <Synonyms> (1,303)
N/A

>  <Target> (1,303)
Potassium Channel

>  <Form> (1,303)
HCl

>  <URL> (1,303)
http://www.selleckchem.com/products/doxapram-hcl.html

>  <CAS Number> (1,303)
7081-53-0

$$$$
Vitamin D2.cdx
csChFnd80/10101813032D

 30 32  0  0  0  0  0  0  0  0999 V2000
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   10.9438    7.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,304)
1304

>  <Formula> (1,304)
C28H44O

>  <MolWeight> (1,304)
396.64836

>  <Item Name> (1,304)
Vitamin D2 (Ergocalciferol)

>  <Catalog Number> (1,304)
S4035

>  <Synonyms> (1,304)
N/A

>  <Target> (1,304)
DNA/RNA Synthesis

>  <Form> (1,304)
Free Base

>  <URL> (1,304)
http://www.selleckchem.com/products/vitamin-d2-ergocalciferol.html

>  <CAS Number> (1,304)
50-14-6

$$$$
Desvenlafaxine.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.5464    3.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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 11 12  1  0  0  0  0
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 18 10  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,305)
1305

>  <Formula> (1,305)
C16H25NO2

>  <MolWeight> (1,305)
263.3752

>  <Item Name> (1,305)
Desvenlafaxine

>  <Catalog Number> (1,305)
S4113

>  <Synonyms> (1,305)
O-desmethylvenlafaxine

>  <Target> (1,305)
5-HT Receptor

>  <Form> (1,305)
Free Base

>  <URL> (1,305)
http://www.selleckchem.com/products/desvenlafaxine.html

>  <CAS Number> (1,305)
93413-62-8

$$$$
Desvenlafaxine succinate.cdx
csChFnd80/10101813032D

 27 27  0  0  0  0  0  0  0  0999 V2000
    6.5655    8.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0796    7.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9736    6.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8678    8.2850    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.8678    9.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 10 14  2  0  0  0  0
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 20 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,306)
1306

>  <Formula> (1,306)
C20H31NO6

>  <MolWeight> (1,306)
381.46324

>  <Item Name> (1,306)
Desvenlafaxine Succinate

>  <Catalog Number> (1,306)
S4112

>  <Synonyms> (1,306)
N/A

>  <Target> (1,306)
5-HT Receptor

>  <Form> (1,306)
Succinate

>  <URL> (1,306)
http://www.selleckchem.com/products/desvenlafaxine-succinate.html

>  <CAS Number> (1,306)
386750-22-7

$$$$
Dicloxacillin sodium.cdx
csChFnd80/10101813032D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4364    5.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    5.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6328    7.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    7.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998    7.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    5.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578    5.1287    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1045    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4364    3.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7501    1.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1485    1.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5845    2.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2670    5.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  1  9  1  0  0  0  0
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 13  9  1  0  0  0  0
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 21 24  1  1  0  0  0
 19 25  2  0  0  0  0
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 22 28  1  6  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,307)
1307

>  <Formula> (1,307)
C19H18Cl2N3NaO6S

>  <MolWeight> (1,307)
510.32349

>  <Item Name> (1,307)
Dicloxacillin Sodium

>  <Catalog Number> (1,307)
S4111

>  <Synonyms> (1,307)
Diclocil

>  <Target> (1,307)
Antifection

>  <Form> (1,307)
Sodium Salt

>  <URL> (1,307)
http://www.selleckchem.com/products/dicloxacillin-sodium.html

>  <CAS Number> (1,307)
13412-64-1

$$$$
Estradiol benzoate.cdx
csChFnd80/10101813032D

 31 35  0  0  0  0  0  0  0  0999 V2000
    6.0513    4.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1141    4.8913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1153    6.2913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9035    6.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2691    5.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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 30 31  2  0  0  0  0
 31 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,308)
1308

>  <Formula> (1,308)
C25H28O3

>  <MolWeight> (1,308)
376.48802

>  <Item Name> (1,308)
Estradiol Benzoate

>  <Catalog Number> (1,308)
S4110

>  <Synonyms> (1,308)
N/A

>  <Target> (1,308)
Estrogen/progestogen Receptor

>  <Form> (1,308)
Free Base

>  <URL> (1,308)
http://www.selleckchem.com/products/estradiol-benzoate.html

>  <CAS Number> (1,308)
50-50-0

$$$$
Aminosalicylate sodium.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.2103    2.0976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4227    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8434    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6955    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
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  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
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  9  3  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,309)
1309

>  <Formula> (1,309)
C7H6NNaO3

>  <MolWeight> (1,309)
175.11721

>  <Item Name> (1,309)
Sodium 4-Aminosalicylate

>  <Catalog Number> (1,309)
S4073

>  <Synonyms> (1,309)
N/A

>  <Target> (1,309)
NF-¦ÊB

>  <Form> (1,309)
Sodium Salt

>  <URL> (1,309)
http://www.selleckchem.com/products/aminosalicylate-sodium.html

>  <CAS Number> (1,309)
133-10-8

$$$$

csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.7018    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7018    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9142    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1267    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9142    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3349    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6139    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5506    3.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4812    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4445    5.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7355    6.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951    7.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636    6.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  2  0  0  0  0
 10 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,310)
1310

>  <Formula> (1,310)
C16H14N2O3S

>  <MolWeight> (1,310)
314.35896

>  <Item Name> (1,310)
Valdecoxib

>  <Catalog Number> (1,310)
S4049

>  <Synonyms> (1,310)
SC-65872, YM-974

>  <Target> (1,310)
COX

>  <Form> (1,310)
Free Base

>  <URL> (1,310)
http://www.selleckchem.com/products/valdecoxib.html

>  <CAS Number> (1,310)
181695-72-7

$$$$
Bisacodyl.cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.2578    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2621    6.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    9.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8401    6.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
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  8 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,311)
1311

>  <Formula> (1,311)
C22H19NO4

>  <MolWeight> (1,311)
361.39056

>  <Item Name> (1,311)
Bisacodyl

>  <Catalog Number> (1,311)
S4047

>  <Synonyms> (1,311)
N/A

>  <Target> (1,311)
Others

>  <Form> (1,311)
Free Base

>  <URL> (1,311)
http://www.selleckchem.com/products/bisacodyl.html

>  <CAS Number> (1,311)
30652-11-0

$$$$
Carbimazole.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.5661    3.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    2.1016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7026    1.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6475    2.5805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9402    3.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0398    2.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9935    0.1676    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    1.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    4.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  4  6  1  0  0  0  0
  3  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,312)
1312

>  <Formula> (1,312)
C7H10N2O2S

>  <MolWeight> (1,312)
186.2315

>  <Item Name> (1,312)
Carbimazole

>  <Catalog Number> (1,312)
S4048

>  <Synonyms> (1,312)
N/A

>  <Target> (1,312)
Others

>  <Form> (1,312)
Free Base

>  <URL> (1,312)
http://www.selleckchem.com/products/carbimazole.html

>  <CAS Number> (1,312)
22232-54-8

$$$$
Decamethonium bromide.cdx
csChFnd80/10101813032D

 20 17  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.0725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.7725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.7617    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6493    2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4491    2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9137    2.9164    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   14.4259    0.2090    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,313)
1313

>  <Formula> (1,313)
C16H38Br2N2

>  <MolWeight> (1,313)
418.29432

>  <Item Name> (1,313)
Decamethonium Bromide

>  <Catalog Number> (1,313)
S4072

>  <Synonyms> (1,313)
Syncurine

>  <Target> (1,313)
AChR

>  <Form> (1,313)
Bromide

>  <URL> (1,313)
http://www.selleckchem.com/products/decamethonium-bromide.html

>  <CAS Number> (1,313)
541-22-0

$$$$
Estradiol cypionate.cdx
csChFnd80/10101813032D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.2060    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8433    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0558    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0558    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8433    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2682    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2682    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0558    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4226    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0341    5.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0783    7.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3853    7.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3121    8.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9598    9.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1973    8.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
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 14 10  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  1  0  0  0
 12 19  1  1  0  0  0
  9 20  1  1  0  0  0
 10 21  1  6  0  0  0
 11 22  1  6  0  0  0
  2 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,314)
1314

>  <Formula> (1,314)
C26H36O3

>  <MolWeight> (1,314)
396.56224

>  <Item Name> (1,314)
Estradiol Cypionate

>  <Catalog Number> (1,314)
S4046

>  <Synonyms> (1,314)
N/A

>  <Target> (1,314)
Estrogen/progestogen Receptor

>  <Form> (1,314)
Free Base

>  <URL> (1,314)
http://www.selleckchem.com/products/estradiol-cypionate.html

>  <CAS Number> (1,314)
313-06-4

$$$$
Griseofulvin.cdx
csChFnd80/10101813032D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1485    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6957    1.5827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0957    1.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7957    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0957    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6957    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.4534    5.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9981    0.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1909    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  4  7  1  0  0  0  0
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  8 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
  3 19  1  0  0  0  0
  9 20  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  1  0  0  0
 12 24  2  0  0  0  0
  8  9  1  1  0  0  0
  8  7  1  6  0  0  0
M  END
>  <Mol_ID> (1,315)
1315

>  <Formula> (1,315)
C17H17ClO6

>  <MolWeight> (1,315)
352.76628

>  <Item Name> (1,315)
Griseofulvin

>  <Catalog Number> (1,315)
S4071

>  <Synonyms> (1,315)
N/A

>  <Target> (1,315)
Microtubule Associated

>  <Form> (1,315)
Free Base

>  <URL> (1,315)
http://www.selleckchem.com/products/griseofulvin.html

>  <CAS Number> (1,315)
126-07-8

$$$$
Guanidine HCl.cdx
csChFnd80/10101813032D

  5  3  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6677    1.6976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
M  END
>  <Mol_ID> (1,316)
1316

>  <Formula> (1,316)
CH6ClN3

>  <MolWeight> (1,316)
95.53144

>  <Item Name> (1,316)
Guanidine (Aminoformamidine) HCl

>  <Catalog Number> (1,316)
S4070

>  <Synonyms> (1,316)
N/A

>  <Target> (1,316)
Others

>  <Form> (1,316)
Hydrochloride

>  <URL> (1,316)
http://www.selleckchem.com/products/guanidine-aminoformamidine-hcl.html

>  <CAS Number> (1,316)
50-01-1

$$$$
Mefenamic acid.cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
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 12 18  1  0  0  0  0
 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,317)
1317

>  <Formula> (1,317)
C15H15NO2

>  <MolWeight> (1,317)
241.2851

>  <Item Name> (1,317)
Mefenamic Acid

>  <Catalog Number> (1,317)
S4078

>  <Synonyms> (1,317)
N/A

>  <Target> (1,317)
COX

>  <Form> (1,317)
Free Base

>  <URL> (1,317)
http://www.selleckchem.com/products/mefenamic-acid.html

>  <CAS Number> (1,317)
61-68-7

$$$$
Mequinol.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,318)
1318

>  <Formula> (1,318)
C7H8O2

>  <MolWeight> (1,318)
124.13722

>  <Item Name> (1,318)
Mequinol

>  <Catalog Number> (1,318)
S4077

>  <Synonyms> (1,318)
N/A

>  <Target> (1,318)
Others

>  <Form> (1,318)
Free Base

>  <URL> (1,318)
http://www.selleckchem.com/products/mequinol.html

>  <CAS Number> (1,318)
150-76-5

$$$$
Sodium nitrite.cdx
csChFnd80/10101813032D

  4  2  0  0  0  0  0  0  0  0999 V2000
    2.2103    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4227    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5979    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
M  END
>  <Mol_ID> (1,319)
1319

>  <Formula> (1,319)
NNaO2

>  <MolWeight> (1,319)
68.99527

>  <Item Name> (1,319)
Sodium Nitrite

>  <Catalog Number> (1,319)
S4074

>  <Synonyms> (1,319)
N/A

>  <Target> (1,319)
Others

>  <Form> (1,319)
Sodium Salt

>  <URL> (1,319)
http://www.selleckchem.com/products/sodium-nitrite.html

>  <CAS Number> (1,319)
7632-00-0

$$$$
Pirarubicin.cdx
csChFnd80/10101813032D

 47 52  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    8.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3284   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,320)
1320

>  <Formula> (1,320)
C32H37NO12

>  <MolWeight> (1,320)
627.63568

>  <Item Name> (1,320)
Pirarubicin

>  <Catalog Number> (1,320)
S1393

>  <Synonyms> (1,320)
N/A

>  <Target> (1,320)
Topoisomerase

>  <Form> (1,320)
Free Base

>  <URL> (1,320)
http://www.selleckchem.com/products/Pirarubicin.html

>  <CAS Number> (1,320)
72496-41-4

$$$$
valganciclovir hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,321)
1321

>  <Formula> (1,321)
C14H25ClN6O5

>  <MolWeight> (1,321)
392.8385

>  <Item Name> (1,321)
Valganciclovir Hydrochloride

>  <Catalog Number> (1,321)
S4050

>  <Synonyms> (1,321)
N/A

>  <Target> (1,321)
Antifection

>  <Form> (1,321)
Hydrochloride

>  <URL> (1,321)
http://www.selleckchem.com/products/valganciclovir-hcl.html

>  <CAS Number> (1,321)
175865-59-5

$$$$
Escitalopram oxalate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,322)
1322

>  <Formula> (1,322)
C22H23FN2O5

>  <MolWeight> (1,322)
414.4268232

>  <Item Name> (1,322)
Escitalopram Oxalate

>  <Catalog Number> (1,322)
S4064

>  <Synonyms> (1,322)
S-(+)-Citalopram Oxalate

>  <Target> (1,322)
5-HT Receptor

>  <Form> (1,322)
Oxalate

>  <URL> (1,322)
http://www.selleckchem.com/products/escitalopram-oxalate.html

>  <CAS Number> (1,322)
219861-08-2

$$$$
Guanabenz acetate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,323)
1323

>  <Formula> (1,323)
C10H12Cl2N4O2

>  <MolWeight> (1,323)
291.13388

>  <Item Name> (1,323)
Guanabenz (WY-8678) Acetate

>  <Catalog Number> (1,323)
S4065

>  <Synonyms> (1,323)
N/A

>  <Target> (1,323)
Adrenergic Receptor

>  <Form> (1,323)
Acetate

>  <URL> (1,323)
http://www.selleckchem.com/products/guanabenz-wy-8678-acetate.html

>  <CAS Number> (1,323)
23256-50-0

$$$$
tinidazole.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,324)
1324

>  <Formula> (1,324)
C8H13N3O4S

>  <MolWeight> (1,324)
247.27152

>  <Item Name> (1,324)
Tinidazole

>  <Catalog Number> (1,324)
S4068

>  <Synonyms> (1,324)
N/A

>  <Target> (1,324)
Antifection

>  <Form> (1,324)
Free Base

>  <URL> (1,324)
http://www.selleckchem.com/products/tinidazole.html

>  <CAS Number> (1,324)
19387-91-8

$$$$
OCUSULF-10 (sulfacetamide sodium).cdx
csChFnd80/10101813032D

 15 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,325)
1325

>  <Formula> (1,325)
C8H9N2NaO3S

>  <MolWeight> (1,325)
236.22343

>  <Item Name> (1,325)
Sulfacetamide Sodium

>  <Catalog Number> (1,325)
S4081

>  <Synonyms> (1,325)
N/A

>  <Target> (1,325)
Autophagy

>  <Form> (1,325)
Sodium Salt

>  <URL> (1,325)
http://www.selleckchem.com/products/sulfacetamide-sodium.html

>  <CAS Number> (1,325)
127-56-0

$$$$
Ticagrelor.cdx
csChFnd80/10101813032D

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 34 33  1  0  0  0  0
 36 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,326)
1326

>  <Formula> (1,326)
C23H28F2N6O4S

>  <MolWeight> (1,326)
522.5680264

>  <Item Name> (1,326)
Ticagrelor

>  <Catalog Number> (1,326)
S4079

>  <Synonyms> (1,326)
AZD6140

>  <Target> (1,326)
P2 Receptor

>  <Form> (1,326)
Free Base

>  <URL> (1,326)
http://www.selleckchem.com/products/ticagrelor.html

>  <CAS Number> (1,326)
274693-27-5

$$$$
DYRENIUM (triamterene).cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,327)
1327

>  <Formula> (1,327)
C12H11N7

>  <MolWeight> (1,327)
253.26264

>  <Item Name> (1,327)
Triamterene

>  <Catalog Number> (1,327)
S4080

>  <Synonyms> (1,327)
N/A

>  <Target> (1,327)
Sodium Channel

>  <Form> (1,327)
Free Base

>  <URL> (1,327)
http://www.selleckchem.com/products/triamterene.html

>  <CAS Number> (1,327)
396-01-0

$$$$
Ethambutol Hydrochloride.cdx
csChFnd80/10101813032D

 16 13  0  0  0  0  0  0  0  0999 V2000
    2.4461    2.7512    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6800    2.0405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2470    4.8266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,328)
1328

>  <Formula> (1,328)
C10H26Cl2N2O2

>  <MolWeight> (1,328)
277.23164

>  <Item Name> (1,328)
Ethambutol HCl

>  <Catalog Number> (1,328)
S4004

>  <Synonyms> (1,328)
N/A

>  <Target> (1,328)
Antifection

>  <Form> (1,328)
Dihydrochloride

>  <URL> (1,328)
http://www.selleckchem.com/products/ethambutol-hcl.html

>  <CAS Number> (1,328)
1070-11-7

$$$$
EQUIPIN (homatropine methylbromide).cdx
csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.7009    5.9029    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.3028    2.5486    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    3.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3028    5.3125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1668    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106    2.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8668    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3129    6.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  1  0  0  0  0
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  6 10  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,329)
1329

>  <Formula> (1,329)
C17H24BrNO3

>  <MolWeight> (1,329)
370.28136

>  <Item Name> (1,329)
Homatropine Methylbromide

>  <Catalog Number> (1,329)
S4024

>  <Synonyms> (1,329)
N/A

>  <Target> (1,329)
AChR

>  <Form> (1,329)
quaternary-N bromide salt

>  <URL> (1,329)
http://www.selleckchem.com/products/homatropine-methylbromide.html

>  <CAS Number> (1,329)
80-49-9

$$$$
Homatropine bromide.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.7119    3.0029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3224    4.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069    2.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1326    3.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
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  5 21  1  6  0  0  0
  6 10  1  0  0  0  0
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  6 22  1  1  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
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 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,330)
1330

>  <Formula> (1,330)
C16H22BrNO3

>  <MolWeight> (1,330)
356.25478

>  <Item Name> (1,330)
Homatropine Bromide

>  <Catalog Number> (1,330)
S4025

>  <Synonyms> (1,330)
N/A

>  <Target> (1,330)
AChR

>  <Form> (1,330)
quaternary-N bromide salt

>  <URL> (1,330)
http://www.selleckchem.com/products/homatropine-bromide.html

>  <CAS Number> (1,330)
51-56-9

$$$$
Hydroxyzine dihydrochloride.cdx
csChFnd80/10101813032D

 28 28  0  0  0  0  0  0  0  0999 V2000
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   10.1181    2.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,331)
1331

>  <Formula> (1,331)
C21H29Cl3N2O2

>  <MolWeight> (1,331)
447.82616

>  <Item Name> (1,331)
Hydroxyzine 2HCl

>  <Catalog Number> (1,331)
S4026

>  <Synonyms> (1,331)
N/A

>  <Target> (1,331)
Histamine Receptor

>  <Form> (1,331)
dihydrochloride

>  <URL> (1,331)
http://www.selleckchem.com/products/hydroxyzine-2hcl.html

>  <CAS Number> (1,331)
2192-20-3

$$$$
Aclidinium bromide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,332)
1332

>  <Formula> (1,332)
C26H30BrNO4S2

>  <MolWeight> (1,332)
564.5547

>  <Item Name> (1,332)
Aclidinium Bromide

>  <Catalog Number> (1,332)
S4031

>  <Synonyms> (1,332)
N/A

>  <Target> (1,332)
AChR

>  <Form> (1,332)
quaternary-N bromide salt

>  <URL> (1,332)
http://www.selleckchem.com/products/aclidinium-bromide.html

>  <CAS Number> (1,332)
320345-99-1

$$$$
Deoxyarbutin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,333)
1333

>  <Formula> (1,333)
C11H14O3

>  <MolWeight> (1,333)
194.22706

>  <Item Name> (1,333)
Deoxyarbutin

>  <Catalog Number> (1,333)
S4132

>  <Synonyms> (1,333)
D-arbutin

>  <Target> (1,333)
Tyrosinase

>  <Form> (1,333)
Free Base

>  <URL> (1,333)
https://www.selleckchem.com/products/deoxyarbutin.html

>  <CAS Number> (1,333)
53936-56-4

$$$$
Histamine dihydrochloride.cdx
csChFnd80/10101813032D

 10  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,334)
1334

>  <Formula> (1,334)
C5H11Cl2N3

>  <MolWeight> (1,334)
184.06694

>  <Item Name> (1,334)
Histamine 2HCl

>  <Catalog Number> (1,334)
S4118

>  <Synonyms> (1,334)
N/A

>  <Target> (1,334)
Histamine Receptor

>  <Form> (1,334)
Dihydrochloride

>  <URL> (1,334)
https://www.selleckchem.com/products/histamine-2hcl.html

>  <CAS Number> (1,334)
56-92-8

$$$$
Levodropropizine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,335)
1335

>  <Formula> (1,335)
C13H20N2O2

>  <MolWeight> (1,335)
236.3101

>  <Item Name> (1,335)
Levodropropizine

>  <Catalog Number> (1,335)
S4131

>  <Synonyms> (1,335)
N/A

>  <Target> (1,335)
Histamine Receptor

>  <Form> (1,335)
Free Base

>  <URL> (1,335)
https://www.selleckchem.com/products/levodropropizine.html

>  <CAS Number> (1,335)
99291-25-5

$$$$
Pefloxacin mesylate dihydrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,336)
1336

>  <Formula> (1,336)
C18H28FN3O8S

>  <MolWeight> (1,336)
465.4936232

>  <Item Name> (1,336)
Pefloxacin Mesylate Dihydrate

>  <Catalog Number> (1,336)
S4119

>  <Synonyms> (1,336)
N/A

>  <Target> (1,336)
Topoisomerase

>  <Form> (1,336)
Mesylate

>  <URL> (1,336)
https://www.selleckchem.com/products/pefloxacin-mesylate-dihydrate.html

>  <CAS Number> (1,336)
149676-40-4

$$$$
sodium phenylbutyrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,337)
1337

>  <Formula> (1,337)
C10H11NaO2

>  <MolWeight> (1,337)
186.18291

>  <Item Name> (1,337)
Sodium Phenylbutyrate

>  <Catalog Number> (1,337)
S4125

>  <Synonyms> (1,337)
N/A

>  <Target> (1,337)
HDAC

>  <Form> (1,337)
Sodium Salt

>  <URL> (1,337)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

>  <CAS Number> (1,337)
1716-12-7

$$$$
Sulconazle Nitrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,338)
1338

>  <Formula> (1,338)
C18H16Cl3N3O3S

>  <MolWeight> (1,338)
460.76194

>  <Item Name> (1,338)
Sulconazole Nitrate

>  <Catalog Number> (1,338)
S4120

>  <Synonyms> (1,338)
N/A

>  <Target> (1,338)
Antifection

>  <Form> (1,338)
Nitrate

>  <URL> (1,338)
https://www.selleckchem.com/products/sulconazole-nitrate.html

>  <CAS Number> (1,338)
82382-23-8

$$$$
Tilmicosin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,339)
1339

>  <Formula> (1,339)
C46H80N2O13

>  <MolWeight> (1,339)
869.133

>  <Item Name> (1,339)
Tilmicosin

>  <Catalog Number> (1,339)
S4122

>  <Synonyms> (1,339)
N/A

>  <Target> (1,339)
Antifection

>  <Form> (1,339)
Free Base

>  <URL> (1,339)
https://www.selleckchem.com/products/tilmicosin.html

>  <CAS Number> (1,339)
108050-54-0

$$$$
Timolol Maleate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,340)
1340

>  <Formula> (1,340)
C17H28N4O7S

>  <MolWeight> (1,340)
432.49182

>  <Item Name> (1,340)
Timolol Maleate

>  <Catalog Number> (1,340)
S4123

>  <Synonyms> (1,340)
N/A

>  <Target> (1,340)
Adrenergic Receptor

>  <Form> (1,340)
Maleate

>  <URL> (1,340)
https://www.selleckchem.com/products/timolol-maleate.html

>  <CAS Number> (1,340)
26921-17-5

$$$$
Tolazoline HCl.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,341)
1341

>  <Formula> (1,341)
C10H13ClN2

>  <MolWeight> (1,341)
196.67662

>  <Item Name> (1,341)
Tolazoline HCl

>  <Catalog Number> (1,341)
S4124

>  <Synonyms> (1,341)
N/A

>  <Target> (1,341)
Adrenergic Receptor

>  <Form> (1,341)
Hydrochloride

>  <URL> (1,341)
https://www.selleckchem.com/products/tolazoline-hcl.html

>  <CAS Number> (1,341)
59-97-2

$$$$
Troxipide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,342)
1342

>  <Formula> (1,342)
C15H22N2O4

>  <MolWeight> (1,342)
294.34618

>  <Item Name> (1,342)
Troxipide

>  <Catalog Number> (1,342)
S4128

>  <Synonyms> (1,342)
N/A

>  <Target> (1,342)
Others

>  <Form> (1,342)
Free Base

>  <URL> (1,342)
https://www.selleckchem.com/products/troxipide.html

>  <CAS Number> (1,342)
30751-05-4

$$$$
Ampicillin trihydrate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,343)
1343

>  <Formula> (1,343)
C16H25N3O7S

>  <MolWeight> (1,343)
403.4506

>  <Item Name> (1,343)
Ampicillin Trihydrate

>  <Catalog Number> (1,343)
S4148

>  <Synonyms> (1,343)
N/A

>  <Target> (1,343)
Antifection

>  <Form> (1,343)
Free Base

>  <URL> (1,343)
http://www.selleckchem.com/products/ampicillin-trihydrate.html

>  <CAS Number> (1,343)
7177-48-2 

$$$$
Azithromycin dihydrate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,344)
1344

>  <Formula> (1,344)
C38H76N2O14

>  <MolWeight> (1,344)
785.01504

>  <Item Name> (1,344)
Azithromycin Dihydrate

>  <Catalog Number> (1,344)
S4147

>  <Synonyms> (1,344)
N/A

>  <Target> (1,344)
Antifection

>  <Form> (1,344)
Free Base

>  <URL> (1,344)
http://www.selleckchem.com/products/azithromycin-dihydrate.html

>  <CAS Number> (1,344)
117772-70-0

$$$$
Cyclizine 2HCl.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,345)
1345

>  <Formula> (1,345)
C18H24Cl2N2

>  <MolWeight> (1,345)
339.30256

>  <Item Name> (1,345)
Cyclizine 2HCl

>  <Catalog Number> (1,345)
S4139

>  <Synonyms> (1,345)
N/A

>  <Target> (1,345)
Histamine Receptor

>  <Form> (1,345)
Hydrochloride

>  <URL> (1,345)
http://www.selleckchem.com/products/cyclizine-2hcl.html

>  <CAS Number> (1,345)
5897-18-7

$$$$
Dinitolmide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,346)
1346

>  <Formula> (1,346)
C8H7N3O5

>  <MolWeight> (1,346)
225.15828

>  <Item Name> (1,346)
Dinitolmide (Zoalene)

>  <Catalog Number> (1,346)
S4141

>  <Synonyms> (1,346)
N/A

>  <Target> (1,346)
Antifection

>  <Form> (1,346)
Free Base

>  <URL> (1,346)
http://www.selleckchem.com/products/dinitolmide-zoalene.html

>  <CAS Number> (1,346)
148-01-6

$$$$
1-Hexadecanol.cdx
csChFnd80/10101813032D

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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,347)
1347

>  <Formula> (1,347)
C16H34O

>  <MolWeight> (1,347)
242.44056

>  <Item Name> (1,347)
1-Hexadecanol

>  <Catalog Number> (1,347)
S4173

>  <Target> (1,347)
Others

>  <Form> (1,347)
Free Base

>  <URL> (1,347)
http://www.selleckchem.com/products/1-hexadecanol.html

>  <CAS Number> (1,347)
36653-82-4

$$$$
Amfenac Sodium£¨monohydrate£©.cdx
csChFnd80/10101813032D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,348)
1348

>  <Formula> (1,348)
C15H14NNaO4

>  <MolWeight> (1,348)
295.26573

>  <Item Name> (1,348)
Amfenac Sodium (monohydrate)

>  <Catalog Number> (1,348)
S4149

>  <Synonyms> (1,348)
N/A

>  <Target> (1,348)
COX

>  <Form> (1,348)
Free Base

>  <URL> (1,348)
http://www.selleckchem.com/products/amfenac-sodium-monohydrate.html

>  <CAS Number> (1,348)
61618-27-7

$$$$
Benzydamine hydrochloride.cdx
csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,349)
1349

>  <Formula> (1,349)
C19H24ClN3O

>  <MolWeight> (1,349)
345.86636

>  <Item Name> (1,349)
Benzydamine Hydrochloride

>  <Catalog Number> (1,349)
S4165

>  <Synonyms> (1,349)
N/A

>  <Target> (1,349)
Immunology & Inflammation related

>  <Form> (1,349)
Hydrochloride

>  <URL> (1,349)
http://www.selleckchem.com/products/benzydamine-hcl.html

>  <CAS Number> (1,349)
132-69-4

$$$$
Betamipron.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,350)
1350

>  <Formula> (1,350)
C10H11NO3

>  <MolWeight> (1,350)
193.19924

>  <Item Name> (1,350)
Betamipron

>  <Catalog Number> (1,350)
S4191

>  <Synonyms> (1,350)
N/A

>  <Target> (1,350)
Antifection

>  <Form> (1,350)
Free Base

>  <URL> (1,350)
http://www.selleckchem.com/products/betamipron.html

>  <CAS Number> (1,350)
3440-28-6

$$$$
RIMADYL (carprofen).cdx
csChFnd80/10101813032D

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 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,351)
1351

>  <Formula> (1,351)
C15H12ClNO2

>  <MolWeight> (1,351)
273.71428

>  <Item Name> (1,351)
Carprofen

>  <Catalog Number> (1,351)
S4136

>  <Synonyms> (1,351)
N/A

>  <Target> (1,351)
COX

>  <Form> (1,351)
Free Base

>  <URL> (1,351)
http://www.selleckchem.com/products/carprofen.html

>  <CAS Number> (1,351)
53716-49-7

$$$$
Cetylpyridinium chloride.cdx
csChFnd80/10101813032D

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    2.4179    2.1744    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,352)
1352

>  <Formula> (1,352)
C21H38ClN

>  <MolWeight> (1,352)
339.98612

>  <Item Name> (1,352)
Cetylpyridinium Chloride

>  <Catalog Number> (1,352)
S4172

>  <Synonyms> (1,352)
N/A

>  <Target> (1,352)
Antifection

>  <Form> (1,352)
Chloride

>  <URL> (1,352)
http://www.selleckchem.com/products/cetylpyridinium-chloride.html

>  <CAS Number> (1,352)
123-03-5

$$$$
Chlorpropamide.cdx
csChFnd80/10101813032D

 17 17  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,353)
1353

>  <Formula> (1,353)
C10H13ClN2O3S

>  <MolWeight> (1,353)
276.73982

>  <Item Name> (1,353)
Chlorpropamide

>  <Catalog Number> (1,353)
S4166

>  <Synonyms> (1,353)
N/A

>  <Target> (1,353)
Others

>  <Form> (1,353)
Free Base

>  <URL> (1,353)
http://www.selleckchem.com/products/chlorpropamide.html

>  <CAS Number> (1,353)
94-20-2

$$$$
Chlorquinaldol.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,354)
1354

>  <Formula> (1,354)
C10H7Cl2NO

>  <MolWeight> (1,354)
228.07468

>  <Item Name> (1,354)
Chlorquinaldol

>  <Catalog Number> (1,354)
S4192

>  <Synonyms> (1,354)
N/A

>  <Target> (1,354)
Antifection

>  <Form> (1,354)
Free Base

>  <URL> (1,354)
http://www.selleckchem.com/products/chlorquinaldol.html

>  <CAS Number> (1,354)
72-80-0

$$$$
Chlorzoxazone.cdx
csChFnd80/10101813032D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6210    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,355)
1355

>  <Formula> (1,355)
C7H4ClNO2

>  <MolWeight> (1,355)
169.56516

>  <Item Name> (1,355)
Chlorzoxazone

>  <Catalog Number> (1,355)
S4155

>  <Synonyms> (1,355)
N/A

>  <Target> (1,355)
P450 (e.g. CYP17)

>  <Form> (1,355)
Free Base

>  <URL> (1,355)
http://www.selleckchem.com/products/chlorzoxazone.html

>  <CAS Number> (1,355)
95-25-0

$$$$
Choline Chloride.cdx
csChFnd80/10101813032D

  8  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,356)
1356

>  <Formula> (1,356)
C5H14ClNO

>  <MolWeight> (1,356)
139.62376

>  <Item Name> (1,356)
Choline Chloride

>  <Catalog Number> (1,356)
S4171

>  <Synonyms> (1,356)
N/A

>  <Target> (1,356)
AChR

>  <Form> (1,356)
Chloride

>  <URL> (1,356)
http://www.selleckchem.com/products/choline-chloride.html

>  <CAS Number> (1,356)
67-48-1

$$$$
Cinchophen.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,357)
1357

>  <Formula> (1,357)
C16H11NO2

>  <MolWeight> (1,357)
249.26404

>  <Item Name> (1,357)
Cinchophen

>  <Catalog Number> (1,357)
S4190

>  <Synonyms> (1,357)
N/A

>  <Target> (1,357)
Others

>  <Form> (1,357)
Free Base

>  <URL> (1,357)
http://www.selleckchem.com/products/cinchophen.html

>  <CAS Number> (1,357)
132-60-5

$$$$
Climbazole.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.3106    3.6339    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7099    3.6339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    4.8469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6117    2.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5355    2.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2117    4.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    1.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    2.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5078    6.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5095    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1025    6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993    4.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6112    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3825    2.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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 16 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,358)
1358

>  <Formula> (1,358)
C15H17ClN2O2

>  <MolWeight> (1,358)
292.76068

>  <Item Name> (1,358)
Climbazole

>  <Catalog Number> (1,358)
S4178

>  <Synonyms> (1,358)
N/A

>  <Target> (1,358)
Antifection

>  <Form> (1,358)
Free Base

>  <URL> (1,358)
http://www.selleckchem.com/products/climbazole.html

>  <CAS Number> (1,358)
38083-17-9

$$$$
Clofazimine.cdx
csChFnd80/10101813032D

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.6445    5.6266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    6.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2549    3.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   10.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549   10.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   11.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549   11.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   12.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   14.0181    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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 10 17  2  0  0  0  0
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 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,359)
1359

>  <Formula> (1,359)
C27H22Cl2N4

>  <MolWeight> (1,359)
473.39638

>  <Item Name> (1,359)
Clofazimine

>  <Catalog Number> (1,359)
S4107

>  <Synonyms> (1,359)
N/A

>  <Target> (1,359)
Phospholipase (e.g. PLA)

>  <Form> (1,359)
Free Base

>  <URL> (1,359)
http://www.selleckchem.com/products/clofazimine.html

>  <CAS Number> (1,359)
2030-63-9

$$$$
Clorprenaline HCl.cdx
csChFnd80/10101813032D

 15 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2167    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7898    5.6024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,360)
1360

>  <Formula> (1,360)
C11H17Cl2NO

>  <MolWeight> (1,360)
250.16478

>  <Item Name> (1,360)
Clorprenaline HCL

>  <Catalog Number> (1,360)
S4135

>  <Synonyms> (1,360)
N/A

>  <Target> (1,360)
Adrenergic Receptor

>  <Form> (1,360)
Hydrochloride

>  <URL> (1,360)
http://www.selleckchem.com/products/clorprenaline-hcl.html

>  <CAS Number> (1,360)
6933-90-0

$$$$
Closantel.cdx
csChFnd80/10101813032D

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.7040    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    6.3073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7040    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1350    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,361)
1361

>  <Formula> (1,361)
C22H14Cl2I2N2O2

>  <MolWeight> (1,361)
663.0737

>  <Item Name> (1,361)
Closantel

>  <Catalog Number> (1,361)
S4106

>  <Synonyms> (1,361)
N/A

>  <Target> (1,361)
Antifection

>  <Form> (1,361)
Free Base

>  <URL> (1,361)
http://www.selleckchem.com/products/closantel.html

>  <CAS Number> (1,361)
57808-65-8

$$$$
Closantel sodium.cdx
csChFnd80/10101813032D

 31 32  0  0  0  0  0  0  0  0999 V2000
    9.7040    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    6.3073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7040    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,362)
1362

>  <Formula> (1,362)
C22H13Cl2I2N2NaO2

>  <MolWeight> (1,362)
685.05553

>  <Item Name> (1,362)
Closantel Sodium

>  <Catalog Number> (1,362)
S4105

>  <Synonyms> (1,362)
N/A

>  <Target> (1,362)
Antifection

>  <Form> (1,362)
Sodium Salt

>  <URL> (1,362)
http://www.selleckchem.com/products/closantel-sodium.html

>  <CAS Number> (1,362)
61438-64-0

$$$$
Coumarin.cdx
csChFnd80/10101813032D

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C9H6O2

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146.14274

>  <Item Name> (1,363)
Coumarin

>  <Catalog Number> (1,363)
S4170

>  <Synonyms> (1,363)
N/A

>  <Target> (1,363)
PARP

>  <Form> (1,363)
Free Base

>  <URL> (1,363)
http://www.selleckchem.com/products/coumarin.html

>  <CAS Number> (1,363)
91-64-5

$$$$
Cyclandelate.cdx
csChFnd80/10101813032D

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>  <Formula> (1,364)
C17H24O3

>  <MolWeight> (1,364)
276.37066

>  <Item Name> (1,364)
Cyclandelate

>  <Catalog Number> (1,364)
S4189

>  <Target> (1,364)
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>  <Form> (1,364)
Free Base

>  <URL> (1,364)
http://www.selleckchem.com/products/cyclandelate.html

>  <CAS Number> (1,364)
456-59-7

$$$$
Cyromazine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,365)
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>  <Formula> (1,365)
C6H10N6

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Cyromazine

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N/A

>  <Target> (1,365)
Antifection

>  <Form> (1,365)
Free base

>  <URL> (1,365)
http://www.selleckchem.com/products/cyromazine.html

>  <CAS Number> (1,365)
66215-27-8

$$$$
Dexlansoprazole.cdx
csChFnd80/10101813032D

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1366

>  <Formula> (1,366)
C16H14F3N3O2S

>  <MolWeight> (1,366)
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>  <Item Name> (1,366)
Dexlansoprazole

>  <Catalog Number> (1,366)
S4099

>  <Synonyms> (1,366)
N/A

>  <Target> (1,366)
Proton Pump

>  <Form> (1,366)
Free Base

>  <URL> (1,366)
http://www.selleckchem.com/products/dexlansoprazole.html

>  <CAS Number> (1,366)
138530-94-6

$$$$
Doxofylline.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,367)
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>  <Formula> (1,367)
C11H14N4O4

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>  <Item Name> (1,367)
Doxofylline

>  <Catalog Number> (1,367)
S4164

>  <Synonyms> (1,367)
N/A

>  <Target> (1,367)
PDE

>  <Form> (1,367)
Free Base

>  <URL> (1,367)
http://www.selleckchem.com/products/doxofylline.html

>  <CAS Number> (1,367)
69975-86-6

$$$$
Dropropizine.cdx
csChFnd80/10101813032D

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>  <Formula> (1,368)
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>  <Synonyms> (1,368)
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>  <Target> (1,368)
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>  <Form> (1,368)
Free Base

>  <URL> (1,368)
http://www.selleckchem.com/products/dropropizine.html

>  <CAS Number> (1,368)
17692-31-8

$$$$
Ethamsylate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,369)
1369

>  <Formula> (1,369)
C10H17NO5S

>  <MolWeight> (1,369)
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>  <Item Name> (1,369)
Ethamsylate

>  <Catalog Number> (1,369)
S4152

>  <Synonyms> (1,369)
N/A

>  <Target> (1,369)
Immunology & Inflammation related

>  <Form> (1,369)
Diethylamine

>  <URL> (1,369)
http://www.selleckchem.com/products/ethamsylate.html

>  <CAS Number> (1,369)
2624-44-4

$$$$
isovaleramide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,370)
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>  <Formula> (1,370)
C5H11NO

>  <MolWeight> (1,370)
101.14694

>  <Item Name> (1,370)
Isovaleramide

>  <Catalog Number> (1,370)
S4116

>  <Synonyms> (1,370)
N/A

>  <Target> (1,370)
Dehydrogenase

>  <Form> (1,370)
Free Base

>  <URL> (1,370)
http://www.selleckchem.com/products/isovaleramide.html

>  <CAS Number> (1,370)
541-46-8

$$$$
Mezlocillin sodium.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,371)
1371

>  <Formula> (1,371)
C21H24N5NaO8S2

>  <MolWeight> (1,371)
561.56373

>  <Item Name> (1,371)
Mezlocillin Sodium

>  <Catalog Number> (1,371)
S4179

>  <Synonyms> (1,371)
N/A

>  <Target> (1,371)
Antifection

>  <Form> (1,371)
Sodium Salt

>  <URL> (1,371)
http://www.selleckchem.com/products/mezlocillin-sodium.html

>  <CAS Number> (1,371)
42057-22-7

$$$$
nifuroxazide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,372)
1372

>  <Formula> (1,372)
C12H9N3O5

>  <MolWeight> (1,372)
275.21696

>  <Item Name> (1,372)
Nifuroxazide

>  <Catalog Number> (1,372)
S4182

>  <Synonyms> (1,372)
N/A

>  <Target> (1,372)
STAT

>  <Form> (1,372)
Free Base

>  <URL> (1,372)
http://www.selleckchem.com/products/nifuroxazide.html

>  <CAS Number> (1,372)
965-52-6

$$$$
Penciclovir.cdx
csChFnd80/10101813032D

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>  <Formula> (1,373)
C10H15N5O3

>  <MolWeight> (1,373)
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>  <Item Name> (1,373)
Penciclovir

>  <Catalog Number> (1,373)
S4184

>  <Synonyms> (1,373)
N/A

>  <Target> (1,373)
Antifection

>  <Form> (1,373)
Free Base

>  <URL> (1,373)
http://www.selleckchem.com/products/penciclovir.html

>  <CAS Number> (1,373)
39809-25-1

$$$$
penfluridol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,374)
1374

>  <Formula> (1,374)
C28H27ClF5NO

>  <MolWeight> (1,374)
523.965096

>  <Item Name> (1,374)
Penfluridol

>  <Catalog Number> (1,374)
S4151

>  <Synonyms> (1,374)
TLP-607

>  <Target> (1,374)
Dopamine Receptor

>  <Form> (1,374)
Free Base

>  <URL> (1,374)
http://www.selleckchem.com/products/penfluridol.html

>  <CAS Number> (1,374)
26864-56-2

$$$$
Salicylanilide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,375)
1375

>  <Formula> (1,375)
C13H11NO2

>  <MolWeight> (1,375)
213.23194

>  <Item Name> (1,375)
Salicylanilide

>  <Catalog Number> (1,375)
S4187

>  <Synonyms> (1,375)
N/A

>  <Target> (1,375)
Reverse Transcriptase

>  <Form> (1,375)
Free Base

>  <URL> (1,375)
http://www.selleckchem.com/products/salicylanilide.html

>  <CAS Number> (1,375)
87-17-2

$$$$
Sasapyrine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,376)
1376

>  <Formula> (1,376)
C14H10O5

>  <MolWeight> (1,376)
258.2262

>  <Item Name> (1,376)
Sasapyrine

>  <Catalog Number> (1,376)
S4188

>  <Synonyms> (1,376)
N/A

>  <Target> (1,376)
COX

>  <Form> (1,376)
Free Base

>  <URL> (1,376)
http://www.selleckchem.com/products/sasapyrine.html

>  <CAS Number> (1,376)
552-94-3

$$$$
Sulfaguanidine.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,377)
1377

>  <Formula> (1,377)
C7H10N4O2S

>  <MolWeight> (1,377)
214.2449

>  <Item Name> (1,377)
Sulfaguanidine

>  <Catalog Number> (1,377)
S4175

>  <Synonyms> (1,377)
N/A

>  <Target> (1,377)
Antifection

>  <Form> (1,377)
Free Base

>  <URL> (1,377)
http://www.selleckchem.com/products/sulfaguanidine.html

>  <CAS Number> (1,377)
57-67-0

$$$$
tiratricol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,378)
1378

>  <Formula> (1,378)
C14H9I3O4

>  <MolWeight> (1,378)
621.93227

>  <Item Name> (1,378)
Tiratricol

>  <Catalog Number> (1,378)
S4185

>  <Synonyms> (1,378)
N/A

>  <Target> (1,378)
Others

>  <Form> (1,378)
Free Base

>  <URL> (1,378)
http://www.selleckchem.com/products/tiratricol.html

>  <CAS Number> (1,378)
51-24-1

$$$$
triclabendazole.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,379)
1379

>  <Formula> (1,379)
C14H9Cl3N2OS

>  <MolWeight> (1,379)
359.65806

>  <Item Name> (1,379)
Triclabendazole

>  <Catalog Number> (1,379)
S4114

>  <Synonyms> (1,379)
N/A

>  <Target> (1,379)
Microtubule Associated

>  <Form> (1,379)
Free Base

>  <URL> (1,379)
http://www.selleckchem.com/products/triclabendazole.html

>  <CAS Number> (1,379)
68786-66-3

$$$$
Trometamol.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,380)
1380

>  <Formula> (1,380)
C4H11NO3

>  <MolWeight> (1,380)
121.13504

>  <Item Name> (1,380)
Trometamol

>  <Catalog Number> (1,380)
S4176

>  <Synonyms> (1,380)
N/A

>  <Target> (1,380)
COX

>  <Form> (1,380)
Free Base

>  <URL> (1,380)
http://www.selleckchem.com/products/trometamol.html

>  <CAS Number> (1,380)
77-86-1

$$$$
Uracil.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,381)
1381

>  <Formula> (1,381)
C4H4N2O2

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Uracil

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>  <Synonyms> (1,381)
N/A

>  <Target> (1,381)
Others

>  <Form> (1,381)
Free Base

>  <URL> (1,381)
http://www.selleckchem.com/products/uracil.html

>  <CAS Number> (1,381)
66-22-8

$$$$
Primaquine diphosphate.cdx
csChFnd80/10101813032D

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N/A

>  <Target> (1,382)
Antifection

>  <Form> (1,382)
Diphosphate

>  <URL> (1,382)
http://www.selleckchem.com/products/primaquine-diphosphate.html

>  <CAS Number> (1,382)
63-45-6

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/10101813032D

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C16H19N3O4S

>  <MolWeight> (1,383)
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>  <Target> (1,383)
HDAC

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Free Base

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http://www.selleckchem.com/products/resminostat-ras2410.html

>  <CAS Number> (1,383)
864814-88-0

$$$$
Aminothiazole.cdx
csChFnd80/10101813032D

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N/A

>  <Target> (1,384)
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Free Base

>  <URL> (1,384)
http://www.selleckchem.com/products/aminothiazole.html

>  <CAS Number> (1,384)
96-50-4

$$$$
Azaguanine-8.cdx
csChFnd80/10101813032D

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C4H4N6O

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http://www.selleckchem.com/products/azaguanine-8.html

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134-58-7

$$$$
Bemegride.cdx
csChFnd80/10101813032D

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GABA Receptor

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http://www.selleckchem.com/products/bemegride.html

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64-65-3

$$$$
Bergapten.cdx
csChFnd80/10101813032D

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>  <Formula> (1,387)
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Bergapten

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N/A

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DNA/RNA Synthesis

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Free Base

>  <URL> (1,387)
http://www.selleckchem.com/products/bergapten.html

>  <CAS Number> (1,387)
484-20-8

$$$$
Broxyquinoline.cdx
csChFnd80/10101813032D

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Free Base

>  <URL> (1,388)
http://www.selleckchem.com/products/broxyquinoline.html

>  <CAS Number> (1,388)
521-74-4

$$$$
Cepharanthine.cdx
csChFnd80/10101813032D

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>  <Formula> (1,389)
C37H38N2O6

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>  <Item Name> (1,389)
Cepharanthine

>  <Catalog Number> (1,389)
S4238

>  <Synonyms> (1,389)
N/A

>  <Target> (1,389)
TNF-alpha

>  <Form> (1,389)
Free Base

>  <URL> (1,389)
http://www.selleckchem.com/products/cepharanthine.html

>  <CAS Number> (1,389)
481-49-2

$$$$
Deoxycorticosterone acetate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,390)
1390

>  <Formula> (1,390)
C23H32O4

>  <MolWeight> (1,390)
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>  <Item Name> (1,390)
Deoxycorticosterone acetate

>  <Catalog Number> (1,390)
S4243

>  <Synonyms> (1,390)
N/A

>  <Target> (1,390)
Adrenergic Receptor

>  <Form> (1,390)
Free Base

>  <URL> (1,390)
http://www.selleckchem.com/products/deoxycorticosterone-acetate.html

>  <CAS Number> (1,390)
56-47-3

$$$$
dirithromycin.cdx
csChFnd80/10101813032D

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 25 28  1  6  0  0  0
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 38 36  1  1  0  0  0
 27 59  1  0  0  0  0
 32 60  1  0  0  0  0
M  END
>  <Mol_ID> (1,391)
1391

>  <Formula> (1,391)
C42H78N2O14

>  <MolWeight> (1,391)
835.07372

>  <Item Name> (1,391)
Dirithromycin

>  <Catalog Number> (1,391)
S4213

>  <Synonyms> (1,391)
N/A

>  <Target> (1,391)
Antifection

>  <Form> (1,391)
Free Base

>  <URL> (1,391)
http://www.selleckchem.com/products/dirithromycin.html

>  <CAS Number> (1,391)
62013-04-1

$$$$
domiphen bromide.cdx
csChFnd80/10101813032D

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   13.3410    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,392)
1392

>  <Formula> (1,392)
C22H40BrNO

>  <MolWeight> (1,392)
414.4631

>  <Item Name> (1,392)
Domiphen Bromide

>  <Catalog Number> (1,392)
S4186

>  <Synonyms> (1,392)
N/A

>  <Target> (1,392)
Others

>  <Form> (1,392)
Free Base

>  <URL> (1,392)
http://www.selleckchem.com/products/domiphen-bromide.html

>  <CAS Number> (1,392)
538-71-6

$$$$
Doxylamine succinate.cdx
csChFnd80/10101813032D

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    1.2167    8.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  9 10  1  0  0  0  0
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 13  8  1  0  0  0  0
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 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,393)
1393

>  <Formula> (1,393)
C21H28N2O5

>  <MolWeight> (1,393)
388.45742

>  <Item Name> (1,393)
Doxylamine Succinate

>  <Catalog Number> (1,393)
S4240

>  <Synonyms> (1,393)
N/A

>  <Target> (1,393)
Histamine Receptor

>  <Form> (1,393)
Succinate

>  <URL> (1,393)
http://www.selleckchem.com/products/doxylamine-succinate.html

>  <CAS Number> (1,393)
562-10-7

$$$$
Ethacridine lactate monohydrate.cdx
csChFnd80/10101813032D

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.2082   12.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   11.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,394)
1394

>  <Formula> (1,394)
C18H23N3O5

>  <MolWeight> (1,394)
361.39232

>  <Item Name> (1,394)
Ethacridine lactate monohydrate

>  <Catalog Number> (1,394)
S4196

>  <Synonyms> (1,394)
N/A

>  <Target> (1,394)
Antifection

>  <Form> (1,394)
Lactate

>  <URL> (1,394)
http://www.selleckchem.com/products/ethacridine-lactate-monohydrate.html

>  <CAS Number> (1,394)
6402-23-9

$$$$
Florfenicol.cdx
csChFnd80/10101813032D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,395)
1395

>  <Formula> (1,395)
C12H14Cl2FNO4S

>  <MolWeight> (1,395)
358.2132632

>  <Item Name> (1,395)
Florfenicol

>  <Catalog Number> (1,395)
S4201

>  <Synonyms> (1,395)
N/A

>  <Target> (1,395)
Antifection

>  <Form> (1,395)
Free Base

>  <URL> (1,395)
http://www.selleckchem.com/products/florfenicol.html

>  <CAS Number> (1,395)
73231-34-2

$$$$
Furaltadone HCl.cdx
csChFnd80/10101813032D

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    2.5670    1.5656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9364    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,396)
1396

>  <Formula> (1,396)
C13H17ClN4O6

>  <MolWeight> (1,396)
360.75028

>  <Item Name> (1,396)
Furaltadone HCl

>  <Catalog Number> (1,396)
S4203

>  <Synonyms> (1,396)
N/A

>  <Target> (1,396)
Antifection

>  <Form> (1,396)
Hydrochloride

>  <URL> (1,396)
http://www.selleckchem.com/products/furaltadone-hcl.html

>  <CAS Number> (1,396)
3759-92-0

$$$$
Nicardipine hydrochloride.cdx
csChFnd80/10101813032D

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  1  2  2  0  0  0  0
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  9 33  1  0  0  0  0
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 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,397)
1397

>  <Formula> (1,397)
C26H30ClN3O6

>  <MolWeight> (1,397)
515.9859

>  <Item Name> (1,397)
Nicardipine HCl

>  <Catalog Number> (1,397)
S4181

>  <Synonyms> (1,397)
N/A

>  <Target> (1,397)
Calcium Channel

>  <Form> (1,397)
Hydrochloride

>  <URL> (1,397)
http://www.selleckchem.com/products/nicardipine-hcl.html

>  <CAS Number> (1,397)
54527-84-3

$$$$
Phenazopyridine hydrochloride.cdx
csChFnd80/10101813032D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,398)
1398

>  <Formula> (1,398)
C11H12ClN5

>  <MolWeight> (1,398)
249.69948

>  <Item Name> (1,398)
Phenazopyridine HCl

>  <Catalog Number> (1,398)
S4235

>  <Synonyms> (1,398)
N/A

>  <Target> (1,398)
Sodium Channel

>  <Form> (1,398)
Hydrochloride

>  <URL> (1,398)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (1,398)
136-40-3

$$$$
Serotonin hydrochloride.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9646    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7604    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,399)
1399

>  <Formula> (1,399)
C10H13ClN2O

>  <MolWeight> (1,399)
212.67602

>  <Item Name> (1,399)
Serotonin HCl

>  <Catalog Number> (1,399)
S4244

>  <Synonyms> (1,399)
N/A

>  <Target> (1,399)
5-HT Receptor

>  <Form> (1,399)
Hydrochloride

>  <URL> (1,399)
http://www.selleckchem.com/products/serotonin-hcl.html

>  <CAS Number> (1,399)
153-98-0

$$$$
sucralose.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.7900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 12  8  1  0  0  0  0
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  1 14  1  1  0  0  0
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 12 16  1  1  0  0  0
 10 17  1  1  0  0  0
  4  7  1  6  0  0  0
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  3 20  1  6  0  0  0
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 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,400)
1400

>  <Formula> (1,400)
C12H19Cl3O8

>  <MolWeight> (1,400)
397.63346

>  <Item Name> (1,400)
Sucralose

>  <Catalog Number> (1,400)
S4214

>  <Synonyms> (1,400)
N/A

>  <Target> (1,400)
Others

>  <Form> (1,400)
Free Base

>  <URL> (1,400)
http://www.selleckchem.com/products/sucralose.html

>  <CAS Number> (1,400)
56038-13-2

$$$$
teriflunomide.cdx
csChFnd80/10101813032D

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    6.0622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  3  0  0  0  0
M  END
>  <Mol_ID> (1,401)
1401

>  <Formula> (1,401)
C12H9F3N2O2

>  <MolWeight> (1,401)
270.2072696

>  <Item Name> (1,401)
Teriflunomide

>  <Catalog Number> (1,401)
S4169

>  <Synonyms> (1,401)
N/A

>  <Target> (1,401)
Dehydrogenase,Immunology & Inflammation

>  <Form> (1,401)
Free Base

>  <URL> (1,401)
http://www.selleckchem.com/products/teriflunomide.html

>  <CAS Number> (1,401)
108605-62-5

$$$$
Valnemulin HCl.cdx
csChFnd80/10101813032D

 41 42  0  0  0  0  0  0  0  0999 V2000
    2.1619    3.6917    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1619    2.2868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1553    1.2934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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1402

>  <Formula> (1,402)
C31H53ClN2O5S

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601.28092

>  <Item Name> (1,402)
Valnemulin HCl

>  <Catalog Number> (1,402)
S4216

>  <Synonyms> (1,402)
N/A

>  <Target> (1,402)
Antifection

>  <Form> (1,402)
Hydrochloride

>  <URL> (1,402)
http://www.selleckchem.com/products/valnemulin-hcl.html

>  <CAS Number> (1,402)
133868-46-9

$$$$
b-AP15.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,403)
1403

>  <Formula> (1,403)
C22H17N3O6

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419.38688

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b-AP15

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S4920

>  <Synonyms> (1,403)
N/A

>  <Target> (1,403)
DUB

>  <Form> (1,403)
Free Base

>  <URL> (1,403)
http://www.selleckchem.com/products/b-ap15.html

>  <CAS Number> (1,403)
1009817-63-3

$$$$
cetrimonium bromide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,404)
1404

>  <Formula> (1,404)
C19H42BrN

>  <MolWeight> (1,404)
364.44748

>  <Item Name> (1,404)
Cetrimonium Bromide

>  <Catalog Number> (1,404)
S4242

>  <Synonyms> (1,404)
N/A

>  <Target> (1,404)
Antifection

>  <Form> (1,404)
Free Base

>  <URL> (1,404)
http://www.selleckchem.com/products/cetrimonium-bromide.html

>  <CAS Number> (1,404)
57-09-0

$$$$
Difluprednate.cdx
csChFnd80/10101813032D

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C27H34F2O7

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Difluprednate

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S4095

>  <Synonyms> (1,405)
N/A

>  <Target> (1,405)
Others

>  <Form> (1,405)
Free Base

>  <URL> (1,405)
http://www.selleckchem.com/products/difluprednate.html

>  <CAS Number> (1,405)
23674-86-4

$$$$
Diminazene aceturate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,406)
1406

>  <Formula> (1,406)
C22H29N9O6

>  <MolWeight> (1,406)
515.52236

>  <Item Name> (1,406)
Diminazene Aceturate

>  <Catalog Number> (1,406)
S4104

>  <Synonyms> (1,406)
N/A

>  <Target> (1,406)
Others

>  <Form> (1,406)
Aceturate

>  <URL> (1,406)
http://www.selleckchem.com/products/diminazene-aceturate.html

>  <CAS Number> (1,406)
908-54-3

$$$$
Droperidol.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,407)
1407

>  <Formula> (1,407)
C22H22FN3O2

>  <MolWeight> (1,407)
379.4273832

>  <Item Name> (1,407)
Droperidol

>  <Catalog Number> (1,407)
S4096

>  <Synonyms> (1,407)
N/A

>  <Target> (1,407)
Dopamine Receptor

>  <Form> (1,407)
Free Base

>  <URL> (1,407)
http://www.selleckchem.com/products/droperidol.html

>  <CAS Number> (1,407)
548-73-2

$$$$
Eprosartan mesylate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,408)
1408

>  <Formula> (1,408)
C24H28N2O7S2

>  <MolWeight> (1,408)
520.61832

>  <Item Name> (1,408)
Eprosartan Mesylate

>  <Catalog Number> (1,408)
S4102

>  <Synonyms> (1,408)
N/A

>  <Target> (1,408)
RAAS

>  <Form> (1,408)
Mesylate

>  <URL> (1,408)
http://www.selleckchem.com/products/eprosartan-mesylate.html

>  <CAS Number> (1,408)
144143-96-4 

$$$$
Esmolol hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,409)
1409

>  <Formula> (1,409)
C16H26ClNO4

>  <MolWeight> (1,409)
331.83494

>  <Item Name> (1,409)
Esmolol HCl

>  <Catalog Number> (1,409)
S4100

>  <Synonyms> (1,409)
N/A

>  <Target> (1,409)
Adrenergic Receptor

>  <Form> (1,409)
Hydrochloride

>  <URL> (1,409)
http://www.selleckchem.com/products/esmolol-hcl.html

>  <CAS Number> (1,409)
81161-17-3, 81147-92-4(free base)

$$$$
Fenspiride hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,410)
1410

>  <Formula> (1,410)
C15H21ClN2O2

>  <MolWeight> (1,410)
296.79244

>  <Item Name> (1,410)
Fenspiride HCl 
Fenspiride HCl

>  <Catalog Number> (1,410)
S4090

>  <Synonyms> (1,410)
N/A

>  <Target> (1,410)
Phospholipase (e.g. PLA)

>  <Form> (1,410)
Hydrochloride

>  <URL> (1,410)
http://www.selleckchem.com/products/Fenspiride-hcl.html

>  <CAS Number> (1,410)
5053-08-7, 5053-06-5(free base)

$$$$
flumethasone.cdx
csChFnd80/10101813032D

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    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,411)
1411

>  <Formula> (1,411)
C22H28F2O5

>  <MolWeight> (1,411)
410.4515264

>  <Item Name> (1,411)
Flumethasone

>  <Catalog Number> (1,411)
S4088

>  <Synonyms> (1,411)
N/A

>  <Target> (1,411)
Glucocorticoid Receptor

>  <Form> (1,411)
Free Base

>  <URL> (1,411)
http://www.selleckchem.com/products/flumethasone.html

>  <CAS Number> (1,411)
2135-17-3

$$$$
Halcinonide.cdx
csChFnd80/10101813032D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,412)
1412

>  <Formula> (1,412)
C24H32ClFO5

>  <MolWeight> (1,412)
454.9592832

>  <Item Name> (1,412)
Halcinonide

>  <Catalog Number> (1,412)
S4098

>  <Synonyms> (1,412)
N/A

>  <Target> (1,412)
Immunology & Inflammation related

>  <Form> (1,412)
Free Base

>  <URL> (1,412)
http://www.selleckchem.com/products/halcinonide.html

>  <CAS Number> (1,412)
3093-35-4

$$$$
halobetasol propionate .cdx
csChFnd80/10101813032D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,413)
1413

>  <Formula> (1,413)
C25H31ClF2O5

>  <MolWeight> (1,413)
484.9604464

>  <Item Name> (1,413)
Halobetasol Propionate

>  <Catalog Number> (1,413)
S4089

>  <Synonyms> (1,413)
N/A

>  <Target> (1,413)
Phospholipase (e.g. PLA)

>  <Form> (1,413)
Free Base

>  <URL> (1,413)
http://www.selleckchem.com/products/halobetasol-propionate.html

>  <CAS Number> (1,413)
66852-54-8

$$$$
ifenprodil tartrate.cdx
csChFnd80/10101813032D

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,414)
1414

>  <Formula> (1,414)
C46H60N2O10

>  <MolWeight> (1,414)
800.976

>  <Item Name> (1,414)
Ifenprodil Tartrate

>  <Catalog Number> (1,414)
S4091

>  <Synonyms> (1,414)
N/A

>  <Target> (1,414)
NMDAR

>  <Form> (1,414)
Tartrate

>  <URL> (1,414)
http://www.selleckchem.com/products/ifenprodil-tartrate.html

>  <CAS Number> (1,414)
23210-58-4

$$$$
levobetaxolol hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,415)
1415

>  <Formula> (1,415)
C18H30ClNO3

>  <MolWeight> (1,415)
343.8887

>  <Item Name> (1,415)
Levobetaxolol HCl

>  <Catalog Number> (1,415)
S4085

>  <Synonyms> (1,415)
N/A

>  <Target> (1,415)
Adrenergic Receptor

>  <Form> (1,415)
Hydrochloride

>  <URL> (1,415)
http://www.selleckchem.com/products/levobetaxolol-hcl.html

>  <CAS Number> (1,415)
116209-55-3, 93221-48-8(free base)

$$$$
lomerizine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,416)
1416

>  <Formula> (1,416)
C27H32Cl2F2N2O3

>  <MolWeight> (1,416)
541.4573864

>  <Item Name> (1,416)
Lomerizine 2HCl

>  <Catalog Number> (1,416)
S4084

>  <Synonyms> (1,416)
N/A

>  <Target> (1,416)
Calcium Channel

>  <Form> (1,416)
Dihydrochloride

>  <URL> (1,416)
http://www.selleckchem.com/products/lomerizine-hcl.html

>  <CAS Number> (1,416)
101477-54-7, 101477-55-8(free base)

$$$$
loxapine succinate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,417)
1417

>  <Formula> (1,417)
C22H24ClN3O5

>  <MolWeight> (1,417)
445.89606

>  <Item Name> (1,417)
Loxapine Succinate

>  <Catalog Number> (1,417)
S4086

>  <Synonyms> (1,417)
N/A

>  <Target> (1,417)
5-HT Receptor,Dopamine Receptor

>  <Form> (1,417)
Succinate

>  <URL> (1,417)
http://www.selleckchem.com/products/loxapine-succinate.html

>  <CAS Number> (1,417)
27833-64-3

$$$$
MDBN.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,418)
1418

>  <Formula> (1,418)
C9H7NO4

>  <MolWeight> (1,418)
193.15618

>  <Item Name> (1,418)
MNS (3,4-Methylenedioxy-¦Â-nitrostyrene)

>  <Catalog Number> (1,418)
S4921

>  <Synonyms> (1,418)
N/A

>  <Target> (1,418)
Tyrosinase,p97,Syk,Src

>  <Form> (1,418)
Free Base

>  <URL> (1,418)
http://www.selleckchem.com/products/mdbn.html

>  <CAS Number> (1,418)
1485-00-3

$$$$
Pramoxine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,419)
1419

>  <Formula> (1,419)
C17H28ClNO3

>  <MolWeight> (1,419)
329.86212

>  <Item Name> (1,419)
Pramoxine HCl

>  <Catalog Number> (1,419)
S4092

>  <Synonyms> (1,419)
N/A

>  <Target> (1,419)
Others

>  <Form> (1,419)
Hydrochloride

>  <URL> (1,419)
http://www.selleckchem.com/products/pramoxine-hcl.html

>  <CAS Number> (1,419)
637-58-1

$$$$
Vitamin A acetate.cdx
csChFnd80/10101813032D

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    2.1308    0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6663    4.1930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,420)
1420

>  <Formula> (1,420)
C22H32O2

>  <MolWeight> (1,420)
328.48828

>  <Item Name> (1,420)
Vitamin A Acetate

>  <Catalog Number> (1,420)
S4083

>  <Synonyms> (1,420)
N/A

>  <Target> (1,420)
Others

>  <Form> (1,420)
Free Base

>  <URL> (1,420)
http://www.selleckchem.com/products/vitamin-a-acetate.html

>  <CAS Number> (1,420)
127-47-9

$$$$
Voglibose.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,421)
1421

>  <Formula> (1,421)
C10H21NO7

>  <MolWeight> (1,421)
267.27624

>  <Item Name> (1,421)
Voglibose

>  <Catalog Number> (1,421)
S4101

>  <Synonyms> (1,421)
N/A

>  <Target> (1,421)
Others

>  <Form> (1,421)
Free Base

>  <URL> (1,421)
http://www.selleckchem.com/products/voglibose.html

>  <CAS Number> (1,421)
83480-29-9

$$$$
Azaperone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,422)
1422

>  <Formula> (1,422)
C19H22FN3O

>  <MolWeight> (1,422)
327.3958832

>  <Item Name> (1,422)
Azaperone

>  <Catalog Number> (1,422)
S4219

>  <Synonyms> (1,422)
N/A

>  <Target> (1,422)
Dopamine Receptor

>  <Form> (1,422)
Free Base

>  <URL> (1,422)
http://www.selleckchem.com/products/azaperone.html

>  <CAS Number> (1,422)
1649-18-9

$$$$
Benzbromarone .cdx
csChFnd80/10101813032D

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    7.4179    5.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3379    4.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7823    2.3232    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,423)
1423

>  <Formula> (1,423)
C17H12Br2O3

>  <MolWeight> (1,423)
424.08338

>  <Item Name> (1,423)
Benzbromarone

>  <Catalog Number> (1,423)
S4221

>  <Synonyms> (1,423)
N/A

>  <Target> (1,423)
P450 (e.g. CYP17)

>  <Form> (1,423)
Free Base

>  <URL> (1,423)
http://www.selleckchem.com/products/benzbromarone.html

>  <CAS Number> (1,423)
3562-84-3

$$$$
Benzethonium chloride.cdx
csChFnd80/10101813032D

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    4.4487    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,424)
1424

>  <Formula> (1,424)
C27H42ClNO2

>  <MolWeight> (1,424)
448.08088

>  <Item Name> (1,424)
Benzethonium chloride

>  <Catalog Number> (1,424)
S4162

>  <Synonyms> (1,424)
N/A

>  <Target> (1,424)
AChR

>  <Form> (1,424)
Chloride

>  <URL> (1,424)
http://www.selleckchem.com/products/benzethonium-chloride.html

>  <CAS Number> (1,424)
121-54-0

$$$$
Benzocaine.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
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    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,425)
1425

>  <Formula> (1,425)
C9H11NO2

>  <MolWeight> (1,425)
165.18914

>  <Item Name> (1,425)
Benzocaine

>  <Catalog Number> (1,425)
S4210

>  <Synonyms> (1,425)
N/A

>  <Target> (1,425)
Sodium Channel

>  <Form> (1,425)
Free Base

>  <URL> (1,425)
http://www.selleckchem.com/products/benzocaine.html

>  <CAS Number> (1,425)
94-09-7

$$$$
Benzoic acid .cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,426)
1426

>  <Formula> (1,426)
C7H6O2

>  <MolWeight> (1,426)
122.12134

>  <Item Name> (1,426)
Benzoic acid

>  <Catalog Number> (1,426)
S4161

>  <Synonyms> (1,426)
N/A

>  <Target> (1,426)
Others

>  <Form> (1,426)
Free Base

>  <URL> (1,426)
http://www.selleckchem.com/products/benzoic-acid.html

>  <CAS Number> (1,426)
65-85-0 

$$$$
Benzylpenicillin sodium.cdx
csChFnd80/10101813032D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    3.2122    7.4169    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,427)
1427

>  <Formula> (1,427)
C16H17N2NaO4S

>  <MolWeight> (1,427)
356.37195

>  <Item Name> (1,427)
Penicillin G Sodium

>  <Catalog Number> (1,427)
S4160

>  <Synonyms> (1,427)
N/A

>  <Target> (1,427)
Antifection

>  <Form> (1,427)
Sodium Salt

>  <URL> (1,427)
http://www.selleckchem.com/products/benzylpenicillin-sodium.html

>  <CAS Number> (1,427)
69-57-8

$$$$
Bezafibrate .cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,428)
1428

>  <Formula> (1,428)
C19H20ClNO4

>  <MolWeight> (1,428)
361.8194

>  <Item Name> (1,428)
Bezafibrate

>  <Catalog Number> (1,428)
S4159

>  <Synonyms> (1,428)
N/A

>  <Target> (1,428)
PPAR

>  <Form> (1,428)
Free Base

>  <URL> (1,428)
http://www.selleckchem.com/products/bezafibrate.html

>  <CAS Number> (1,428)
41859-67-0

$$$$
chlorocresol.cdx
csChFnd80/10101813032D

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1429

>  <Formula> (1,429)
C7H7ClO

>  <MolWeight> (1,429)
142.58288

>  <Item Name> (1,429)
Chlorocresol

>  <Catalog Number> (1,429)
S4209

>  <Synonyms> (1,429)
N/A

>  <Target> (1,429)
Calcium Channel

>  <Form> (1,429)
Free Base

>  <URL> (1,429)
http://www.selleckchem.com/products/chlorocresol.html

>  <CAS Number> (1,429)
59-50-7

$$$$
S4971 Buparvaquone.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,430)
1430

>  <Formula> (1,430)
C21H26O3

>  <MolWeight> (1,430)
326.42934

>  <Item Name> (1,430)
Buparvaquone

>  <Catalog Number> (1,430)
S4971

>  <Synonyms> (1,430)
Butalex

>  <Target> (1,430)
Anti-infection

>  <Form> (1,430)
free base

>  <URL> (1,430)
http://selleckchem.com/products/buparvaquone.html

>  <CAS Number> (1,430)
88426-33-9

$$$$
Chromocarb.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,431)
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>  <Formula> (1,431)
C10H6O4

>  <MolWeight> (1,431)
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>  <Item Name> (1,431)
Chromocarb

>  <Catalog Number> (1,431)
S4208

>  <Synonyms> (1,431)
N/A

>  <Target> (1,431)
Others

>  <Form> (1,431)
Free Base

>  <URL> (1,431)
http://www.selleckchem.com/products/chromocarb.html

>  <CAS Number> (1,431)
4940-39-0

$$$$
Clofibric acid.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,432)
1432

>  <Formula> (1,432)
C10H11ClO3

>  <MolWeight> (1,432)
214.64554

>  <Item Name> (1,432)
Clofibric acid

>  <Catalog Number> (1,432)
S4207

>  <Synonyms> (1,432)
N/A

>  <Target> (1,432)
PPAR

>  <Form> (1,432)
Free Base

>  <URL> (1,432)
http://www.selleckchem.com/products/clofibric-acid.html

>  <CAS Number> (1,432)
882-09-7

$$$$
Cysteamine HCl.cdx
csChFnd80/10101813032D

  5  3  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,433)
1433

>  <Formula> (1,433)
C2H8ClNS

>  <MolWeight> (1,433)
113.60962

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Cysteamine HCl

>  <Catalog Number> (1,433)
S4206

>  <Synonyms> (1,433)
N/A

>  <Target> (1,433)
Others

>  <Form> (1,433)
Hydrochloride

>  <URL> (1,433)
http://www.selleckchem.com/products/cysteamine-hcl.html

>  <CAS Number> (1,433)
156-57-0

$$$$
Dibenzothiophene.cdx
csChFnd80/10101813032D

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1434

>  <Formula> (1,434)
C12H8S

>  <MolWeight> (1,434)
184.25692

>  <Item Name> (1,434)
Dibenzothiophene

>  <Catalog Number> (1,434)
S4205

>  <Synonyms> (1,434)
N/A

>  <Target> (1,434)
Others

>  <Form> (1,434)
Free Base

>  <URL> (1,434)
http://www.selleckchem.com/products/dibenzothiophene.html

>  <CAS Number> (1,434)
132-65-0

$$$$
Erythritol.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,435)
1435

>  <Formula> (1,435)
C4H10O4

>  <MolWeight> (1,435)
122.1198

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Erythritol

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S4224

>  <Synonyms> (1,435)
N/A

>  <Target> (1,435)
Others

>  <Form> (1,435)
Free Base

>  <URL> (1,435)
http://www.selleckchem.com/products/erythritol.html

>  <CAS Number> (1,435)
149-32-6

$$$$
fidaxomicin.cdx
csChFnd80/10101813032D

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M  END
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>  <Formula> (1,436)
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>  <MolWeight> (1,436)
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>  <Item Name> (1,436)
Fidaxomicin

>  <Catalog Number> (1,436)
S4227

>  <Synonyms> (1,436)
N/A

>  <Target> (1,436)
DNA/RNA Synthes

>  <Form> (1,436)
Free Base

>  <URL> (1,436)
http://www.selleckchem.com/products/fidaxomicin.html

>  <CAS Number> (1,436)
873857-62-6

$$$$
Fluorometholone Acetate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,437)
1437

>  <Formula> (1,437)
C24H31FO5

>  <MolWeight> (1,437)
418.4983432

>  <Item Name> (1,437)
Fluorometholone Acetate

>  <Catalog Number> (1,437)
S4228

>  <Synonyms> (1,437)
N/A

>  <Target> (1,437)
Glucocorticoid Receptor

>  <Form> (1,437)
Free Base

>  <URL> (1,437)
http://www.selleckchem.com/products/fluorometholone-acetate.html

>  <CAS Number> (1,437)
3801-06-7

$$$$
Isosorbide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,438)
1438

>  <Formula> (1,438)
C6H10O4

>  <MolWeight> (1,438)
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>  <Item Name> (1,438)
Isosorbide

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S4204

>  <Synonyms> (1,438)
N/A

>  <Target> (1,438)
Others

>  <Form> (1,438)
Free Base

>  <URL> (1,438)
http://www.selleckchem.com/products/isosorbide.html

>  <CAS Number> (1,438)
652-67-5 

$$$$
Liothyronine Sodium.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,439)
1439

>  <Formula> (1,439)
C15H11I3NNaO4

>  <MolWeight> (1,439)
672.95532

>  <Item Name> (1,439)
Liothyronine Sodium

>  <Catalog Number> (1,439)
S4217

>  <Synonyms> (1,439)
N/A

>  <Target> (1,439)
Others

>  <Form> (1,439)
Free Base

>  <URL> (1,439)
http://www.selleckchem.com/products/liothyronine-sodium.html

>  <CAS Number> (1,439)
55-06-1

$$$$
mevastatin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,440)
1440

>  <Formula> (1,440)
C23H34O5

>  <MolWeight> (1,440)
390.51306

>  <Item Name> (1,440)
Mevastatin

>  <Catalog Number> (1,440)
S4223

>  <Synonyms> (1,440)
N/A

>  <Target> (1,440)
HMG-CoA Reductase

>  <Form> (1,440)
Free Base

>  <URL> (1,440)
http://www.selleckchem.com/products/mevastatin.html

>  <CAS Number> (1,440)
73573-88-3

$$$$
Mexiletine Hydrochloride.cdx
csChFnd80/10101813032D

 14 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,441)
1441

>  <Formula> (1,441)
C11H18ClNO

>  <MolWeight> (1,441)
215.71972

>  <Item Name> (1,441)
Mexiletine HCl

>  <Catalog Number> (1,441)
S4225

>  <Synonyms> (1,441)
N/A

>  <Target> (1,441)
Sodium Channel

>  <Form> (1,441)
Hydrochloride

>  <URL> (1,441)
http://www.selleckchem.com/products/mexiletine-hcl.html

>  <CAS Number> (1,441)
5370-01-4

$$$$
Montelukast sodium.cdx
csChFnd80/10101813032D

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 14  1  2  0  0  0  0
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M  END
>  <Mol_ID> (1,442)
1442

>  <Formula> (1,442)
C35H35ClNNaO3S

>  <MolWeight> (1,442)
608.16507

>  <Item Name> (1,442)
Montelukast Sodium

>  <Catalog Number> (1,442)
S4211

>  <Synonyms> (1,442)
N/A

>  <Target> (1,442)
LTR

>  <Form> (1,442)
Sodium Salt

>  <URL> (1,442)
http://www.selleckchem.com/products/montelukast-sodium.html

>  <CAS Number> (1,442)
151767-02-1

$$$$
Nithiamide.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,443)
1443

>  <Formula> (1,443)
C5H5N3O3S

>  <MolWeight> (1,443)
187.1765

>  <Item Name> (1,443)
Nithiamide

>  <Catalog Number> (1,443)
S4232

>  <Synonyms> (1,443)
N/A

>  <Target> (1,443)
Antifection

>  <Form> (1,443)
Free Base

>  <URL> (1,443)
http://www.selleckchem.com/products/nithiamide.html

>  <CAS Number> (1,443)
140-40-9

$$$$
Oxaprozin.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.1722    5.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,444)
1444

>  <Formula> (1,444)
C18H15NO3

>  <MolWeight> (1,444)
293.3166

>  <Item Name> (1,444)
Oxaprozin

>  <Catalog Number> (1,444)
S4230

>  <Synonyms> (1,444)
N/A

>  <Target> (1,444)
COX

>  <Form> (1,444)
Free Base

>  <URL> (1,444)
http://www.selleckchem.com/products/oxaprozin.html

>  <CAS Number> (1,444)
21256-18-8

$$$$
Oxybuprocaine HCl.cdx
csChFnd80/10101813032D

 23 22  0  0  0  0  0  0  0  0999 V2000
    4.2137    7.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4684    6.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 14  1  0  0  0  0
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 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,445)
1445

>  <Formula> (1,445)
C17H29ClN2O3

>  <MolWeight> (1,445)
344.87676

>  <Item Name> (1,445)
Oxybuprocaine HCl

>  <Catalog Number> (1,445)
S4229

>  <Synonyms> (1,445)
N/A

>  <Target> (1,445)
Sodium Channel

>  <Form> (1,445)
Hydrochloride

>  <URL> (1,445)
http://www.selleckchem.com/products/oxybuprocaine-hcl.html

>  <CAS Number> (1,445)
5987-82-6

$$$$
pheniramine maleate .cdx
csChFnd80/10101813032D

 26 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7333    4.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9457    2.4451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 14  9  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
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 20 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,446)
1446

>  <Formula> (1,446)
C20H24N2O4

>  <MolWeight> (1,446)
356.41556

>  <Item Name> (1,446)
Pheniramine Maleate

>  <Catalog Number> (1,446)
S4045

>  <Synonyms> (1,446)
N/A

>  <Target> (1,446)
Histamine Receptor

>  <Form> (1,446)
Maleate

>  <URL> (1,446)
http://www.selleckchem.com/products/pheniramine-maleate.html

>  <CAS Number> (1,446)
132-20-7

$$$$
Pilocarpine HCl.cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.1810    3.5554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1070    2.1574    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3437    4.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8703    4.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7427    1.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1823    1.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5905    3.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2488    0.4906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8506    4.2846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7887    2.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8319    3.2765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0858    5.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1766    2.0398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817    6.4521    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,447)
1447

>  <Formula> (1,447)
C11H17ClN2O2

>  <MolWeight> (1,447)
244.71788

>  <Item Name> (1,447)
Pilocarpine HCl

>  <Catalog Number> (1,447)
S4231

>  <Synonyms> (1,447)
N/A

>  <Target> (1,447)
AChR

>  <Form> (1,447)
Hydrochloride

>  <URL> (1,447)
http://www.selleckchem.com/products/pilocarpine-hcl.html

>  <CAS Number> (1,447)
54-71-7

$$$$
Piperacillin Sodium.cdx
csChFnd80/10101813032D

 37 39  0  0  0  0  0  0  0  0999 V2000
    8.6817    4.6051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6817    3.2053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2498    4.6051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0624    5.0161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0624    2.7366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2498    3.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0168    5.2795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8779    3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0624    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (1,448)
1448

>  <Formula> (1,448)
C23H26N5NaO7S

>  <MolWeight> (1,448)
539.53661

>  <Item Name> (1,448)
Piperacillin Sodium

>  <Catalog Number> (1,448)
S4222

>  <Synonyms> (1,448)
N/A

>  <Target> (1,448)
Antifection

>  <Form> (1,448)
Sodium Salt

>  <URL> (1,448)
http://www.selleckchem.com/products/piperacillin-sodium.html

>  <CAS Number> (1,448)
59703-84-3

$$$$
Tolperisone HCl.cdx
csChFnd80/10101813032D

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    8.2469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    4.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,449)
1449

>  <Formula> (1,449)
C16H24ClNO

>  <MolWeight> (1,449)
281.82086

>  <Item Name> (1,449)
Tolperisone HCl

>  <Catalog Number> (1,449)
S4200

>  <Synonyms> (1,449)
N/A

>  <Target> (1,449)
Sodium Channel

>  <Form> (1,449)
Hydrochloride

>  <URL> (1,449)
http://www.selleckchem.com/products/tolperisone-hcl.html

>  <CAS Number> (1,449)
3644-61-9

$$$$
Zoxazolamine.cdx
csChFnd80/10101813032D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.4517    0.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    2.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0616    0.5809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3538    2.8070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8887    2.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8389    0.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0101    1.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3063    2.4610    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,450)
1450

>  <Formula> (1,450)
C7H5ClN2O

>  <MolWeight> (1,450)
168.5804

>  <Item Name> (1,450)
Zoxazolamine

>  <Catalog Number> (1,450)
S4233

>  <Synonyms> (1,450)
N/A

>  <Target> (1,450)
Others

>  <Form> (1,450)
Free Base

>  <URL> (1,450)
http://www.selleckchem.com/products/zoxazolamine.html

>  <CAS Number> (1,450)
61-80-3

$$$$
Prucalopride succinat.cdx
csChFnd80/10101813032D

 33 34  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.4039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1768    1.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3095    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4421    1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0094    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6094    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7093    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0093    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6094    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9094    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5094    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8094    4.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8093    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6093    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3094    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7094    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4094    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7093    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3094    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2094    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5094    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1094    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4094    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0094    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7093    6.0623    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.1094    3.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 13 17  2  0  0  0  0
 12 14  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 17 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 29 30  1  0  0  0  0
 21 27  1  0  0  0  0
 20 24  1  0  0  0  0
 15 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,451)
1451

>  <Formula> (1,451)
C22H32ClN3O7

>  <MolWeight> (1,451)
485.95838

>  <Item Name> (1,451)
Prucalopride Succinat

>  <Catalog Number> (1,451)
S4247

>  <Synonyms> (1,451)
N/A

>  <Target> (1,451)
5-HT Receptor

>  <Form> (1,451)
Succinat

>  <URL> (1,451)
http://www.selleckchem.com/products/prucalopride-succinat.html

>  <CAS Number> (1,451)
179474-85-2

$$$$
Bromfenac sodium.cdx
csChFnd80/10101813032D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.0685    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.8500    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    2.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    4.8498    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9502    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9502    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1502    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4502    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1502    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2502    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1502    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2502    6.0623    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.0502    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  3  6  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 12 19  2  0  0  0  0
 16 20  1  0  0  0  0
  8 12  1  0  0  0  0
  7 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,452)
1452

>  <Formula> (1,452)
C15H11BrNNaO3

>  <MolWeight> (1,452)
356.14651

>  <Item Name> (1,452)
Bromfenac Sodium

>  <Catalog Number> (1,452)
S4248

>  <Synonyms> (1,452)
N/A

>  <Target> (1,452)
COX

>  <Form> (1,452)
Sodium Salt

>  <URL> (1,452)
http://www.selleckchem.com/products/bromfenac-sodium.html

>  <CAS Number> (1,452)
91714-93-1

$$$$
Flopropione.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6382    2.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4611    3.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1621    1.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2440    2.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8519    3.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9371    4.7936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5528    0.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3258    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4009    1.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000    3.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    2.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7869    1.8710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,453)
1453

>  <Formula> (1,453)
C9H10O4

>  <MolWeight> (1,453)
182.1733

>  <Item Name> (1,453)
Flopropione

>  <Catalog Number> (1,453)
S4249

>  <Synonyms> (1,453)
N/A

>  <Target> (1,453)
5-HT Receptor

>  <Form> (1,453)
Free Base

>  <URL> (1,453)
http://www.selleckchem.com/products/flopropione.html

>  <CAS Number> (1,453)
2295-58-1

$$$$
S4246.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.5079    5.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2853    4.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2649    3.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670    2.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6895    2.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100    4.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9325    5.0752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3323    5.0548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6501    6.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5344    4.3371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    2.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
  8 10  1  1  0  0  0
A   12
relative stereochemistry
M  END
>  <Mol_ID> (1,454)
1454

>  <Formula> (1,454)
C9H12ClNR

>  <MolWeight> (1,454)
169.65128

>  <Item Name> (1,454)
Tranylcypromine (2-PCPA) HCl

>  <Catalog Number> (1,454)
S4246

>  <Synonyms> (1,454)
N/A

>  <Target> (1,454)
MAO

>  <Form> (1,454)
Hydrochloride

>  <URL> (1,454)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

>  <CAS Number> (1,454)
4548-34-9

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9745    4.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5745    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 17 18  1  0  0  0  0
 14 17  1  0  0  0  0
 10 11  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,455)
1455

>  <Formula> (1,455)
C11H12N4O3S

>  <MolWeight> (1,455)
280.30298

>  <Item Name> (1,455)
Sulfamethoxypyridazine

>  <Catalog Number> (1,455)
S4250

>  <Synonyms> (1,455)
N/A

>  <Target> (1,455)
Antifection

>  <Form> (1,455)
Free Base

>  <URL> (1,455)
http://www.selleckchem.com/products/sulfamethoxypyridazine.html

>  <CAS Number> (1,455)
80-35-3

$$$$
Phenothiazine.cdx
csChFnd80/10101813032D

 14 16  0  0  0  0  0  0  0  0999 V2000
    2.4326    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    2.7821    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,456)
1456

>  <Formula> (1,456)
C12H9NS

>  <MolWeight> (1,456)
199.27156

>  <Item Name> (1,456)
Phenothiazine

>  <Catalog Number> (1,456)
S4251

>  <Synonyms> (1,456)
N/A

>  <Target> (1,456)
Dopamine Receptor

>  <Form> (1,456)
Free Base

>  <URL> (1,456)
http://www.selleckchem.com/products/phenothiazine.html

>  <CAS Number> (1,456)
92-84-2

$$$$
Mechlorethamine HCl.cdx
csChFnd80/10101813032D

  9  7  0  0  0  0  0  0  0  0999 V2000
    7.2744    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0002    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0713    0.5795    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,457)
1457

>  <Formula> (1,457)
C5H12Cl3N

>  <MolWeight> (1,457)
192.51448

>  <Item Name> (1,457)
Mechlorethamine HCl

>  <Catalog Number> (1,457)
S4252

>  <Synonyms> (1,457)
N/A

>  <Target> (1,457)
DNA/RNA Synthesis

>  <Form> (1,457)
Hydrochloride

>  <URL> (1,457)
http://www.selleckchem.com/products/mechlorethamine-hcl.html

>  <CAS Number> (1,457)
55-86-7

$$$$
Epinastine HCl.cdx
csChFnd80/10101813032D

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    3.5193    3.9909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8934    3.6741    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4917    2.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5193    0.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3992    5.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6813    5.9355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5934    4.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6730    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0691    0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9744    8.1943    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 15 16  1  0  0  0  0
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  6 18  2  0  0  0  0
  7 15  2  0  0  0  0
  8 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,458)
1458

>  <Formula> (1,458)
C16H16ClN3

>  <MolWeight> (1,458)
285.77134

>  <Item Name> (1,458)
Epinastine HCl

>  <Catalog Number> (1,458)
S4253

>  <Synonyms> (1,458)
N/A

>  <Target> (1,458)
Histamine Receptor

>  <Form> (1,458)
Hydrochloride

>  <URL> (1,458)
http://www.selleckchem.com/products/epinastine-hcl.html

>  <CAS Number> (1,458)
108929-04-0

$$$$
HA14-1.cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  2  0  0  0  0
  7 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  2  0  0  0  0
  7 26  1  1  0  0  0
 19 20  3  0  0  0  0
M  END
>  <Mol_ID> (1,459)
1459

>  <Formula> (1,459)
C17H17BrN2O5

>  <MolWeight> (1,459)
409.23128

>  <Item Name> (1,459)
HA14-1

>  <Catalog Number> (1,459)
S1071

>  <Synonyms> (1,459)
HA141

>  <Target> (1,459)
Bcl-2

>  <Form> (1,459)
Free Base

>  <URL> (1,459)
http://www.selleckchem.com/products/HA14-1.html

>  <CAS Number> (1,459)
65673-63-4

$$$$
Latrepirdine.cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
   12.0379    7.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1705    8.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3378    9.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4013   10.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7227   24.9738    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   24.9738    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
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  1  9  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 13  1  0  0  0  0
  2 11  1  0  0  0  0
  3 10  1  0  0  0  0
 14 15  1  0  0  0  0
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 15 17  1  0  0  0  0
  1 14  1  0  0  0  0
  6 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,460)
1460

>  <Formula> (1,460)
C21H27Cl2N3

>  <MolWeight> (1,460)
392.36518

>  <Item Name> (1,460)
Latrepirdine 2HCl

>  <Catalog Number> (1,460)
S1245

>  <Synonyms> (1,460)
Dimebolin

>  <Target> (1,460)
GluR

>  <Form> (1,460)
Dihydrochloride

>  <URL> (1,460)
http://www.selleckchem.com/products/Dimebon.html

>  <CAS Number> (1,460)
97657-92-6

$$$$
Bazedoxifene acetate.cdx
csChFnd80/10101813032D

 39 42  0  0  0  0  0  0  0  0999 V2000
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198481-33-3

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481-72-1

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Daidzin.cdx
csChFnd80/10101813032D

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552-66-9

$$$$
OC000459.cdx
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851723-84-7, 950688-14-9 (sodium salt)

$$$$
Verapamil HCl.cdx
csChFnd80/10101813032D

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Calcium Channel

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152-11-4

$$$$
VX-745.cdx
csChFnd80/10101813032D

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35943-35-2

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$$$$
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69-05-6

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M  END
>  <Mol_ID> (1,471)
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>  <Formula> (1,471)
C28H41N3O3

>  <MolWeight> (1,471)
467.64344

>  <Item Name> (1,471)
oxethazaine

>  <Catalog Number> (1,471)
S4343 

>  <Synonyms> (1,471)
Oxethacaine

>  <Target> (1,471)
Others

>  <Form> (1,471)
Free Base

>  <URL> (1,471)
http://www.selleckchem.com/products/oxethazaine.html

>  <CAS Number> (1,471)
126-27-2

$$$$
prochlorperazine dimaleate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,472)
1472

>  <Formula> (1,472)
C28H32ClN3O8S

>  <MolWeight> (1,472)
606.08698

>  <Item Name> (1,472)
prochlorperazine dimaleate

>  <Catalog Number> (1,472)
S4407 

>  <Synonyms> (1,472)
N/A

>  <Target> (1,472)
Others

>  <Form> (1,472)
dimaleate

>  <URL> (1,472)
http://www.selleckchem.com/products/prochlorperazine-dimaleate.html

>  <CAS Number> (1,472)
1984-2-6

$$$$
(S)-(+)-FLURBIPROFEN.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,473)
1473

>  <Formula> (1,473)
C15H13FO2

>  <MolWeight> (1,473)
244.2609232

>  <Item Name> (1,473)
Flurbiprofen

>  <Catalog Number> (1,473)
S1679

>  <Synonyms> (1,473)
Urbifen, Ansaid, Flurwood, Froben

>  <Target> (1,473)
COX

>  <Form> (1,473)
Free Base

>  <URL> (1,473)
http://www.selleckchem.com/products/Flurbiprofen(Ansaid).html

>  <CAS Number> (1,473)
51543-39-6

$$$$
Chlorpheniramine Maleate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,474)
1474

>  <Formula> (1,474)
C20H23ClN2O4

>  <MolWeight> (1,474)
390.86062

>  <Item Name> (1,474)
Chlorpheniramine Maleate

>  <Catalog Number> (1,474)
S1816

>  <Synonyms> (1,474)
Piriton

>  <Target> (1,474)
Histamine Receptor

>  <Form> (1,474)
Maleate

>  <URL> (1,474)
http://www.selleckchem.com/products/Chlorpheniramine-maleate.html

>  <CAS Number> (1,474)
113-92-8

$$$$
Emtricitabine.cdx
csChFnd80/10101813032D

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Atripla

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Reverse Transcriptase

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http://www.selleckchem.com/products/Emtricitabine.html

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143491-57-0

$$$$
Idoxuridine.cdx
csChFnd80/10101813032D

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Antifection

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Free Base

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http://www.selleckchem.com/products/idoxuridine.html

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54-42-2

$$$$
Lubiprostone.cdx
csChFnd80/10101813032D

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Lubiprostone

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Amitiza, RU-0211, SPI-0211

>  <Target> (1,477)
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Free Base

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http://www.selleckchem.com/products/Lubiprostone(Amitiza).html

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136790-76-6

$$$$
Mitotane.cdx
csChFnd80/10101813032D

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Lysodren, Mitotan

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Free Base

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http://www.selleckchem.com/products/Mitotane(Lysodren).html

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53-19-0

$$$$
Nisoldipine.cdx
csChFnd80/10101813032D

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Calcium Channel

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http://www.selleckchem.com/products/Nisoldipine(Sular).html

>  <CAS Number> (1,479)
63675-72-9

$$$$
METI-DERM (prednisolone).cdx
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M  END
>  <Mol_ID> (1,480)
1480

>  <Formula> (1,480)
C21H28O5

>  <MolWeight> (1,480)
360.44402

>  <Item Name> (1,480)
Prednisolone

>  <Catalog Number> (1,480)
S1737

>  <Synonyms> (1,480)
Decaprednil, Predonine

>  <Target> (1,480)
Glucocorticoid Receptor

>  <Form> (1,480)
Free Base

>  <URL> (1,480)
http://www.selleckchem.com/products/Prednisolone(Hydroretrocortine).html

>  <CAS Number> (1,480)
50-24-8

$$$$
Rifabutin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,481)
1481

>  <Formula> (1,481)
C46H62N4O11

>  <MolWeight> (1,481)
847.00468

>  <Item Name> (1,481)
Rifabutin

>  <Catalog Number> (1,481)
S1741

>  <Synonyms> (1,481)
Mycobutin, Ansamycin, LM 427, Ansatipine

>  <Target> (1,481)
Antifection

>  <Form> (1,481)
Free Base

>  <URL> (1,481)
http://www.selleckchem.com/products/Rifabutin(Mycobutin).html

>  <CAS Number> (1,481)
72559-06-9

$$$$
Rifampin.cdx
csChFnd80/10101813032D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (1,482)
1482

>  <Formula> (1,482)
C43H58N4O12

>  <MolWeight> (1,482)
822.94022

>  <Item Name> (1,482)
Rifampin

>  <Catalog Number> (1,482)
S1764

>  <Synonyms> (1,482)
Rifampicin

>  <Target> (1,482)
DNA/RNA Synthesis

>  <Form> (1,482)
Free Base

>  <URL> (1,482)
http://www.selleckchem.com/products/Rifampin(Rifadin).html

>  <CAS Number> (1,482)
13292-46-1

$$$$
Rifapentine.cdx
csChFnd80/10101813032D

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M  END
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1483

>  <Formula> (1,483)
C47H64N4O12

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>  <Item Name> (1,483)
Rifapentine

>  <Catalog Number> (1,483)
S1760

>  <Synonyms> (1,483)
Cyclopentylrifampicin

>  <Target> (1,483)
DNA/RNA Synthesis

>  <Form> (1,483)
Free Base

>  <URL> (1,483)
http://www.selleckchem.com/products/Rifapentine(Priftin).html

>  <CAS Number> (1,483)
61379-65-5

$$$$
spironolactone.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,484)
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>  <Formula> (1,484)
C24H32O4S

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spironolactone

>  <Catalog Number> (1,484)
S4054

>  <Synonyms> (1,484)
N/A

>  <Target> (1,484)
Androgen Receptor

>  <Form> (1,484)
Free Base

>  <URL> (1,484)
http://www.selleckchem.com/products/spironolactone.html

>  <CAS Number> (1,484)
52-01-7

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,485)
1485

>  <Formula> (1,485)
C15H12O7

>  <MolWeight> (1,485)
304.25158

>  <Item Name> (1,485)
Taxifolin (Dihydroquercetin)

>  <Catalog Number> (1,485)
S2366

>  <Synonyms> (1,485)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (1,485)
VEGFR

>  <Form> (1,485)
Free Base

>  <URL> (1,485)
http://www.selleckchem.com/products/Taxifolin(Dihydroquercetin).html

>  <CAS Number> (1,485)
480-18-2

$$$$
Terbinafine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,486)
1486

>  <Formula> (1,486)
C21H25N

>  <MolWeight> (1,486)
291.4299

>  <Item Name> (1,486)
Terbinafine

>  <Catalog Number> (1,486)
S1725

>  <Synonyms> (1,486)
Lamisil, Terbinex, Corbinal, Zabel

>  <Target> (1,486)
Antifection

>  <Form> (1,486)
Free Base

>  <URL> (1,486)
http://www.selleckchem.com/products/Terbinafine(Lamisil).html

>  <CAS Number> (1,486)
91161-71-6

$$$$
Alizapride hydrochloride.cdx
csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
    9.5485    2.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,487)
1487

>  <Formula> (1,487)
C16H22ClN5O2

>  <MolWeight> (1,487)
351.83118

>  <Item Name> (1,487)
Alizapride hydrochloride

>  <Catalog Number> (1,487)
S4257 

>  <Synonyms> (1,487)
N/A

>  <Target> (1,487)
Dopamine Receptor

>  <Form> (1,487)
hydrochloride

>  <URL> (1,487)
http://www.selleckchem.com/products/alizapride-hcl.html

>  <CAS Number> (1,487)
59338-87-3

$$$$
Brimonidine Tartrate.cdx
csChFnd80/10101813032D

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  2  0  0  0  0
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  6  5  1  0  0  0  0
  3  4  1  0  0  0  0
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,488)
1488

>  <Formula> (1,488)
C15H16BrN5O6

>  <MolWeight> (1,488)
442.22144

>  <Item Name> (1,488)
Brimonidine Tartrate

>  <Catalog Number> (1,488)
S4266

>  <Synonyms> (1,488)
N/A

>  <Target> (1,488)
Adrenergic Receptor

>  <Form> (1,488)
Tartrate

>  <URL> (1,488)
http://www.selleckchem.com/products/brimonidine-tartrate.html

>  <CAS Number> (1,488)
70359-46-5

$$$$
Buspirone hydrochloride.cdx
csChFnd80/10101813032D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,489)
1489

>  <Formula> (1,489)
C21H32ClN5O2

>  <MolWeight> (1,489)
421.96408

>  <Item Name> (1,489)
Buspirone hydrochloride

>  <Catalog Number> (1,489)
S4256 

>  <Synonyms> (1,489)
N/A

>  <Target> (1,489)
5-HT Receptor

>  <Form> (1,489)
Hydrochloride

>  <URL> (1,489)
http://www.selleckchem.com/products/buspirone-hcl.html

>  <CAS Number> (1,489)
33386-08-2

$$$$
Diacerein.cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,490)
1490

>  <Formula> (1,490)
C19H12O8

>  <MolWeight> (1,490)
368.29378

>  <Item Name> (1,490)
Diacerein

>  <Catalog Number> (1,490)
S4267 

>  <Synonyms> (1,490)
N/A

>  <Target> (1,490)
IL Receptor

>  <Form> (1,490)
Free Base

>  <URL> (1,490)
http://www.selleckchem.com/products/diacerein.html

>  <CAS Number> (1,490)
13739-02-1

$$$$
RAPAFLO (silodosin).cdx
csChFnd80/10101813032D

 35 37  0  0  0  0  0  0  0  0999 V2000
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    8.4828    6.1076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9035    6.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    6.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    7.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    8.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    7.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    9.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1520   11.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 20  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
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 29 30  1  0  0  0  0
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 31 23  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
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M  END
>  <Mol_ID> (1,491)
1491

>  <Formula> (1,491)
C25H32F3N3O4

>  <MolWeight> (1,491)
495.5344896

>  <Item Name> (1,491)
Silodosin

>  <Catalog Number> (1,491)
S1613

>  <Synonyms> (1,491)
N/A

>  <Target> (1,491)
Adrenergic Recepto

>  <Form> (1,491)
Free Base

>  <URL> (1,491)
http://www.selleckchem.com/products/Silodosin(Rapaflo).html

>  <CAS Number> (1,491)
160970-54-7

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/10101813032D

 36 38  0  0  0  0  0  0  0  0999 V2000
   10.9195    4.7638    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2263    3.3978    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6202    3.2674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  4 26  1  1  0  0  0
 26 27  1  0  0  0  0
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 29 33  2  0  0  0  0
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  3 35  1  6  0  0  0
  8 36  2  0  0  0  0
M  END
>  <Mol_ID> (1,492)
1492

>  <Formula> (1,492)
C22H29FN3O9P

>  <MolWeight> (1,492)
529.4525242

>  <Item Name> (1,492)
Sofosbuvir(PSI-7977)

>  <Catalog Number> (1,492)
S2794

>  <Synonyms> (1,492)
N/A

>  <Target> (1,492)
DNA/RNA Synthesis

>  <Form> (1,492)
Free Base

>  <URL> (1,492)
http://www.selleckchem.com/products/psi-7977-gs-7977.html

>  <CAS Number> (1,492)
1190307-88-0

$$$$
Efaproxiral sodium.cdx
csChFnd80/10101813032D

 26 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (1,493)
1493

>  <Formula> (1,493)
C20H22NNaO4

>  <MolWeight> (1,493)
363.38275

>  <Item Name> (1,493)
Efaproxiral sodium

>  <Catalog Number> (1,493)
S4263 

>  <Synonyms> (1,493)
N/A

>  <Target> (1,493)
Others

>  <Form> (1,493)
Sodium salt

>  <URL> (1,493)
http://www.selleckchem.com/products/efaproxiral-sodium.html

>  <CAS Number> (1,493)
170787-99-2

$$$$
Etofibrate.cdx
csChFnd80/10101813032D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,494)
1494

>  <Formula> (1,494)
C18H18ClNO5

>  <MolWeight> (1,494)
363.79222

>  <Item Name> (1,494)
Etofibrate

>  <Catalog Number> (1,494)
S4264 

>  <Synonyms> (1,494)
N/A

>  <Target> (1,494)
Others

>  <Form> (1,494)
Free Base

>  <URL> (1,494)
http://www.selleckchem.com/products/etofibrate.html

>  <CAS Number> (1,494)
31637-97-5

$$$$
Flufenamic acid.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,495)
1495

>  <Formula> (1,495)
C14H10F3NO2

>  <MolWeight> (1,495)
281.2299096

>  <Item Name> (1,495)
Flufenamic acid

>  <Catalog Number> (1,495)
S4268 

>  <Synonyms> (1,495)
N/A

>  <Target> (1,495)
COX

>  <Form> (1,495)
Free Base

>  <URL> (1,495)
http://www.selleckchem.com/products/flufenamic-acid.html

>  <CAS Number> (1,495)
530-78-9

$$$$
Luliconazole.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,496)
1496

>  <Formula> (1,496)
C14H9Cl2N3S2

>  <MolWeight> (1,496)
354.27736

>  <Item Name> (1,496)
Luliconazole

>  <Catalog Number> (1,496)
S4258 

>  <Synonyms> (1,496)
N/A

>  <Target> (1,496)
Antifection

>  <Form> (1,496)
Free Base

>  <URL> (1,496)
http://www.selleckchem.com/products/luliconazole.html

>  <CAS Number> (1,496)
187164-19-8

$$$$
Nicaraven.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,497)
1497

>  <Formula> (1,497)
C15H16N4O2

>  <MolWeight> (1,497)
284.31314

>  <Item Name> (1,497)
Nicaraven

>  <Catalog Number> (1,497)
S4265 

>  <Synonyms> (1,497)
N/A

>  <Target> (1,497)
Others

>  <Form> (1,497)
Free Base

>  <URL> (1,497)
http://www.selleckchem.com/products/nicaraven.html

>  <CAS Number> (1,497)
79455-30-4

$$$$
Tamibarotene.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,498)
1498

>  <Formula> (1,498)
C22H25NO3

>  <MolWeight> (1,498)
351.4388

>  <Item Name> (1,498)
Tamibarotene

>  <Catalog Number> (1,498)
S4260 

>  <Synonyms> (1,498)
N/A

>  <Target> (1,498)
Retinoid Receptor

>  <Form> (1,498)
Free Base

>  <URL> (1,498)
http://www.selleckchem.com/products/tamibarotene.html

>  <CAS Number> (1,498)
94497-51-5

$$$$
Vilazodone Hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,499)
1499

>  <Formula> (1,499)
C26H28ClN5O2

>  <MolWeight> (1,499)
477.98582

>  <Item Name> (1,499)
Vilazodone Hydrochloride

>  <Catalog Number> (1,499)
S4259 

>  <Synonyms> (1,499)
N/A

>  <Target> (1,499)
Others

>  <Form> (1,499)
Hydrochloride

>  <URL> (1,499)
http://www.selleckchem.com/products/vilazodone-hcl.html

>  <CAS Number> (1,499)
163521-08-2

$$$$
TELAPREVIR (VX-950).cdx
csChFnd80/10101813032D

 51 55  0  0  0  0  0  0  0  0999 V2000
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M  END
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1500

>  <Formula> (1,500)
C36H53N7O6

>  <MolWeight> (1,500)
679.84932

>  <Item Name> (1,500)
Telaprevir (VX-950)

>  <Catalog Number> (1,500)
S1538

>  <Synonyms> (1,500)
LY-570310, MP-424

>  <Target> (1,500)
HCV Protease

>  <Form> (1,500)
Free Base

>  <URL> (1,500)
http://www.selleckchem.com/products/Telaprevir(VX-950).html

>  <CAS Number> (1,500)
402957-28-2

$$$$
TTNPB.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,501)
1501

>  <Formula> (1,501)
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>  <MolWeight> (1,501)
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>  <Item Name> (1,501)
TTNPB

>  <Catalog Number> (1,501)
S4627 

>  <Synonyms> (1,501)
Ro 13-7410

>  <Target> (1,501)
Retinoid Receptor

>  <Form> (1,501)
Free Base

>  <URL> (1,501)
http://www.selleckchem.com/products/ttnpb-arotinoid-acid.html

>  <CAS Number> (1,501)
71441-28-6

$$$$
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M  END
>  <Mol_ID> (1,502)
1502

>  <Formula> (1,502)
C46H58Cl2N4O18

>  <MolWeight> (1,502)
1025.87472

>  <Item Name> (1,502)
Doxycycline hyclate

>  <Catalog Number> (1,502)
S4163

>  <Synonyms> (1,502)
N/A

>  <Target> (1,502)
MMP

>  <Form> (1,502)
hyclate

>  <URL> (1,502)
http://www.selleckchem.com/products/doxycycline-hyclate.html

>  <CAS Number> (1,502)
24390-14-5

$$$$
LX1606.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,503)
1503

>  <Formula> (1,503)
C36H35ClF3N7O6

>  <MolWeight> (1,503)
754.1546096

>  <Item Name> (1,503)
LX1606 hippurate

>  <Catalog Number> (1,503)
S2173

>  <Synonyms> (1,503)
Telotristat Etiprate

>  <Target> (1,503)
Hydroxylase

>  <Form> (1,503)
Hippuric acid

>  <URL> (1,503)
http://www.selleckchem.com/products/telotristat-etiprate-lx-1606-hippurate.html

>  <CAS Number> (1,503)
11137608-69-5

$$$$
Vinorelbine tartrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,504)
1504

>  <Formula> (1,504)
C53H66N4O20

>  <MolWeight> (1,504)
1079.10594

>  <Item Name> (1,504)
Vinorelbine Tartrate

>  <Catalog Number> (1,504)
S4269

>  <Synonyms> (1,504)
N/A

>  <Target> (1,504)
Microtubule Associated

>  <Form> (1,504)
Tartrate

>  <URL> (1,504)
http://www.selleckchem.com/products/vinorelbine-tartrate.html

>  <CAS Number> (1,504)
125317-39-7

$$$$
Tenovin-6 HCl.cdx
csChFnd80/10101813032D

 33 33  0  0  0  0  0  0  0  0999 V2000
    6.0706    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,505)
1505

>  <Formula> (1,505)
C25H35ClN4O2S

>  <MolWeight> (1,505)
491.089

>  <Item Name> (1,505)
Tenovin-6

>  <Catalog Number> (1,505)
S4900

>  <Synonyms> (1,505)
N/A

>  <Target> (1,505)
p53,Sirtuin

>  <Form> (1,505)
Free Base

>  <URL> (1,505)
http://www.selleckchem.com/products/tenovin-6.html

>  <CAS Number> (1,505)
1011557-82-6

$$$$
Almorexant HCl.cdx
csChFnd80/10101813032D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,506)
1506

>  <Formula> (1,506)
C29H32ClF3N2O3

>  <MolWeight> (1,506)
549.0241896

>  <Item Name> (1,506)
Almorexant HCl

>  <Catalog Number> (1,506)
S2160

>  <Synonyms> (1,506)
N/A

>  <Target> (1,506)
OX Receptor

>  <Form> (1,506)
Hydrochloride

>  <URL> (1,506)
http://www.selleckchem.com/products/almorexant-hcl.html

>  <CAS Number> (1,506)
913358-93-7

$$$$
Oxiracetam.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,507)
1507

>  <Formula> (1,507)
C6H10N2O3

>  <MolWeight> (1,507)
158.1552

>  <Item Name> (1,507)
Oxiracetam

>  <Catalog Number> (1,507)
S4270

>  <Synonyms> (1,507)
ISF 2522

>  <Target> (1,507)
GABA Receptor

>  <Form> (1,507)
Free Base

>  <URL> (1,507)
http://www.selleckchem.com/products/oxiracetam.html

>  <CAS Number> (1,507)
62613-82-5

$$$$
Vincristine Sulfate.cdx
csChFnd80/10101813032D

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>  <Formula> (1,508)
C46H58N4O14S

>  <MolWeight> (1,508)
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>  <Item Name> (1,508)
Vincristine Sulfate

>  <Catalog Number> (1,508)
S1241

>  <Synonyms> (1,508)
Leurocristine

>  <Target> (1,508)
Microtubule Associ

>  <Form> (1,508)
Free Base

>  <URL> (1,508)
http://www.selleckchem.com/products/Vincristine-Sulfate.html

>  <CAS Number> (1,508)
2068-78-2

$$$$
Tenatoprazole.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,509)
1509

>  <Formula> (1,509)
C16H18N4O3S

>  <MolWeight> (1,509)
346.40412

>  <Item Name> (1,509)
Tenatoprazole

>  <Catalog Number> (1,509)
S4212

>  <Synonyms> (1,509)
N/A

>  <Target> (1,509)
Proton Pump

>  <Form> (1,509)
Free Base

>  <URL> (1,509)
http://www.selleckchem.com/products/tenatoprazole.html

>  <CAS Number> (1,509)
113712-98-4

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,510)
1510

>  <Formula> (1,510)
C19H20F3IN2O5S

>  <MolWeight> (1,510)
572.3371796

>  <Item Name> (1,510)
Refametinib (RDEA119, Bay 86-9766)

>  <Catalog Number> (1,510)
S1089

>  <Synonyms> (1,510)
BAY 869766

>  <Target> (1,510)
MEK

>  <Form> (1,510)
Free Base

>  <URL> (1,510)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

>  <CAS Number> (1,510)
923032-37-5

$$$$
Meclofenoxate HCl.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,511)
1511

>  <Formula> (1,511)
C12H17Cl2NO3

>  <MolWeight> (1,511)
294.17428

>  <Item Name> (1,511)
Meclofenoxate (Centrophenoxine) HCl

>  <Catalog Number> (1,511)
S4280

>  <Synonyms> (1,511)
N/A

>  <Target> (1,511)
Transferase

>  <Form> (1,511)
Hydrochloride

>  <URL> (1,511)
http://www.selleckchem.com/products/meclofenoxate-centrophenoxine-hci.html

>  <CAS Number> (1,511)
3685-84-5

$$$$
Ospemifene.cdx
csChFnd80/10101813032D

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 26 16  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,512)
1512

>  <Formula> (1,512)
C24H23ClO2

>  <MolWeight> (1,512)
378.89122

>  <Item Name> (1,512)
Ospemifene

>  <Catalog Number> (1,512)
S4285

>  <Synonyms> (1,512)
N/A

>  <Target> (1,512)
Estrogen/progestogen Receptor

>  <Form> (1,512)
Free Base

>  <URL> (1,512)
http://www.selleckchem.com/products/ospemifene.html

>  <CAS Number> (1,512)
128607-22-7

$$$$
Nelfinavir mesylate .cdx
csChFnd80/10101813032D

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 44 47  2  0  0  0  0
M  END
>  <Mol_ID> (1,513)
1513

>  <Formula> (1,513)
C33H49N3O7S2

>  <MolWeight> (1,513)
663.88806

>  <Item Name> (1,513)
Nelfinavir Mesylate

>  <Catalog Number> (1,513)
S4282

>  <Synonyms> (1,513)
N/A

>  <Target> (1,513)
HIV Protease

>  <Form> (1,513)
Mesylate

>  <URL> (1,513)
http://www.selleckchem.com/products/nelfinavir-mesylate.html

>  <CAS Number> (1,513)
159989-65-8

$$$$
Chloroprocaine hydrochloride.cdx
csChFnd80/10101813032D

 19 18  0  0  0  0  0  0  0  0999 V2000
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,514)
1514

>  <Formula> (1,514)
C13H20Cl2N2O2

>  <MolWeight> (1,514)
307.2161

>  <Item Name> (1,514)
Chloroprocaine HCl

>  <Catalog Number> (1,514)
S4284

>  <Synonyms> (1,514)
N/A

>  <Target> (1,514)
Sodium Channel

>  <Form> (1,514)
Hydrochloride

>  <URL> (1,514)
http://www.selleckchem.com/products/chloroprocaine-hci.html

>  <CAS Number> (1,514)
3858-89-7

$$$$
Carteolol hydrochloride.cdx
csChFnd80/10101813032D

 22 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,515)
1515

>  <Formula> (1,515)
C16H25ClN2O3

>  <MolWeight> (1,515)
328.8343

>  <Item Name> (1,515)
Carteolol HCl

>  <Catalog Number> (1,515)
S4278

>  <Synonyms> (1,515)
N/A

>  <Target> (1,515)
Adrenergic Receptor

>  <Form> (1,515)
Hydrochloride

>  <URL> (1,515)
http://www.selleckchem.com/products/carteolol-hci.html

>  <CAS Number> (1,515)
51781-21-6

$$$$
Demeclocycline hydrochloride.cdx
csChFnd80/10101813032D

 35 37  0  0  0  0  0  0  0  0999 V2000
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 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
>  <Mol_ID> (1,516)
1516

>  <Formula> (1,516)
C21H22Cl2N2O8

>  <MolWeight> (1,516)
501.31398

>  <Item Name> (1,516)
Demeclocycline HCl

>  <Catalog Number> (1,516)
S4279

>  <Synonyms> (1,516)
N/A

>  <Target> (1,516)
Antifection

>  <Form> (1,516)
Hydrochloride

>  <URL> (1,516)
http://www.selleckchem.com/products/demeclocycline-hci.html

>  <CAS Number> (1,516)
64-73-3

$$$$
Cyclobenzaprine HCl.cdx
csChFnd80/10101813032D

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M  CFW  17 B_NG_STER 2
M  END
>  <Mol_ID> (1,517)
1517

>  <Formula> (1,517)
C20H22ClN

>  <MolWeight> (1,517)
311.84838

>  <Item Name> (1,517)
Cyclobenzaprine HCl

>  <Catalog Number> (1,517)
S4283

>  <Synonyms> (1,517)
N/A

>  <Target> (1,517)
5-HT Receptor

>  <Form> (1,517)
Hydrochloride

>  <URL> (1,517)
http://www.selleckchem.com/products/cyclobenzaprine-hci.html

>  <CAS Number> (1,517)
6202-23-9

$$$$
Anidulafungin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,518)
1518

>  <Formula> (1,518)
C58H73N7O17

>  <MolWeight> (1,518)
1140.23692

>  <Item Name> (1,518)
Anidulafungin (LY303366)

>  <Catalog Number> (1,518)
S4286

>  <Synonyms> (1,518)
N/A

>  <Target> (1,518)
Antifection

>  <Form> (1,518)
Free Base

>  <URL> (1,518)
http://www.selleckchem.com/products/anidulafungin-ly303366.html

>  <CAS Number> (1,518)
166663-25-8

$$$$
Chloroambucil.cdx
csChFnd80/10101813032D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,519)
1519

>  <Formula> (1,519)
C14H19Cl2NO2

>  <MolWeight> (1,519)
304.21216

>  <Item Name> (1,519)
Chloroambucil

>  <Catalog Number> (1,519)
S4288

>  <Synonyms> (1,519)
Chlorambucil

>  <Target> (1,519)
DNA/RNA Synthesis

>  <Form> (1,519)
Free Base

>  <URL> (1,519)
http://www.selleckchem.com/products/chloroambucil.html

>  <CAS Number> (1,519)
305-03-3

$$$$
Bambuterol HCl.cdx
csChFnd80/10101813032D

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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,520)
1520

>  <Formula> (1,520)
C18H30ClN3O5

>  <MolWeight> (1,520)
403.9009

>  <Item Name> (1,520)
Bambuterol HCl

>  <Catalog Number> (1,520)
S4277

>  <Synonyms> (1,520)
N/A

>  <Target> (1,520)
Adrenergic Receptor

>  <Form> (1,520)
Hydrochloride

>  <URL> (1,520)
http://www.selleckchem.com/products/bambuterol-hci.html

>  <CAS Number> (1,520)
81732-46-9

$$$$
Promethazine hydrochloride.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,521)
1521

>  <Formula> (1,521)
C17H21ClN2S

>  <MolWeight> (1,521)
320.88004

>  <Item Name> (1,521)
Promethazine HCl

>  <Catalog Number> (1,521)
S4293

>  <Synonyms> (1,521)
N/A

>  <Target> (1,521)
Histamine Receptor

>  <Form> (1,521)
Hydrochloride

>  <URL> (1,521)
http://www.selleckchem.com/products/promethazine-hcl.html

>  <CAS Number> (1,521)
58-33-3

$$$$
MetoclopraMide HCl.cdx
csChFnd80/10101813032D

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 17  2  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,522)
1522

>  <Formula> (1,522)
C14H23Cl2N3O2

>  <MolWeight> (1,522)
336.25732

>  <Item Name> (1,522)
MetoclopraMide HCl

>  <Catalog Number> (1,522)
S4289

>  <Synonyms> (1,522)
N/A

>  <Target> (1,522)
Dopamine Receptor

>  <Form> (1,522)
Hydrochloride

>  <URL> (1,522)
http://www.selleckchem.com/products/metoclopramide-hcl.html

>  <CAS Number> (1,522)
7232-21-5

$$$$
Rotigotine.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,523)
1523

>  <Formula> (1,523)
C19H25NOS

>  <MolWeight> (1,523)
315.4729

>  <Item Name> (1,523)
Rotigotine

>  <Catalog Number> (1,523)
S4274

>  <Synonyms> (1,523)
N/A

>  <Target> (1,523)
Dopamine Receptor

>  <Form> (1,523)
Free Base

>  <URL> (1,523)
http://www.selleckchem.com/products/rotigotine.html

>  <CAS Number> (1,523)
99755-59-6

$$$$
Diphenidol hydrochloride.cdx
csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,524)
1524

>  <Formula> (1,524)
C21H28ClNO

>  <MolWeight> (1,524)
345.90612

>  <Item Name> (1,524)
Diphenidol HCl

>  <Catalog Number> (1,524)
S4292

>  <Synonyms> (1,524)
N/A

>  <Target> (1,524)
AChR

>  <Form> (1,524)
Hydrochloride

>  <URL> (1,524)
http://www.selleckchem.com/products/diphenidol-hcl.html

>  <CAS Number> (1,524)
3254-89-5

$$$$
Digoxin .cdx
csChFnd80/10101813032D

 61 68  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,525)
1525

>  <Formula> (1,525)
C41H64O14

>  <MolWeight> (1,525)
780.93846

>  <Item Name> (1,525)
Digoxin

>  <Catalog Number> (1,525)
S4290

>  <Synonyms> (1,525)
N/A

>  <Target> (1,525)
Sodium Channel

>  <Form> (1,525)
Free Base

>  <URL> (1,525)
http://www.selleckchem.com/products/digoxin.html

>  <CAS Number> (1,525)
20830-75-5

$$$$
Dicoumarol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,526)
1526

>  <Formula> (1,526)
C19H12O6

>  <MolWeight> (1,526)
336.29498

>  <Item Name> (1,526)
Dicoumarol

>  <Catalog Number> (1,526)
S4299

>  <Synonyms> (1,526)
Dicumarol

>  <Target> (1,526)
Others

>  <Form> (1,526)
Free Base

>  <URL> (1,526)
http://www.selleckchem.com/products/dicoumarol.html

>  <CAS Number> (1,526)
66-76-2

$$$$
Procainamide hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,527)
1527

>  <Formula> (1,527)
C13H22ClN3O

>  <MolWeight> (1,527)
271.78628

>  <Item Name> (1,527)
Procainamide HCl

>  <Catalog Number> (1,527)
S4294

>  <Synonyms> (1,527)
N/A

>  <Target> (1,527)
Sodium Channel

>  <Form> (1,527)
Hydrochloride

>  <URL> (1,527)
http://www.selleckchem.com/products/procainamide-hcl.html

>  <CAS Number> (1,527)
614-39-1

$$$$
Labetalol hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,528)
1528

>  <Formula> (1,528)
C19H25ClN2O3

>  <MolWeight> (1,528)
364.8664

>  <Item Name> (1,528)
Labetalol HCl

>  <Catalog Number> (1,528)
S4291

>  <Synonyms> (1,528)
N/A

>  <Target> (1,528)
Adrenergic Receptor

>  <Form> (1,528)
Hydrochloride

>  <URL> (1,528)
http://www.selleckchem.com/products/labetalol-hcl.html

>  <CAS Number> (1,528)
32780-64-6

$$$$
Meclofenamate sodium.cdx
csChFnd80/10101813032D

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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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 13  8  1  0  0  0  0
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  6 16  1  0  0  0  0
  4 17  1  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,529)
1529

>  <Formula> (1,529)
C14H10Cl2NNaO2

>  <MolWeight> (1,529)
318.13047

>  <Item Name> (1,529)
Meclofenamate sodium

>  <Catalog Number> (1,529)
S4295

>  <Synonyms> (1,529)
N/A

>  <Target> (1,529)
COX

>  <Form> (1,529)
Sodium Salt

>  <URL> (1,529)
http://www.selleckchem.com/products/meclofenamate-sodium.html

>  <CAS Number> (1,529)
6385-02-0

$$$$
Mefloquine hydrochloride.cdx
csChFnd80/10101813032D

 28 29  0  0  0  0  0  0  0  0999 V2000
    9.3903    5.0511    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1702    6.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    5.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3728    4.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3908    9.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2349    7.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6029    8.8680    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4809    8.2578    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7961    3.4405    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5484    2.8066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9635    2.6800    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.4171    0.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7822    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7380    1.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3287    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5092    3.9653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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 11  6  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  6  0  0  0
M  END
>  <Mol_ID> (1,530)
1530

>  <Formula> (1,530)
C17H17ClF6N2O

>  <MolWeight> (1,530)
414.7730992

>  <Item Name> (1,530)
Mefloquine HCl

>  <Catalog Number> (1,530)
S4420

>  <Synonyms> (1,530)
N/A

>  <Target> (1,530)
Antifection

>  <Form> (1,530)
Hydrochloride

>  <URL> (1,530)
http://www.selleckchem.com/products/mefloquine-hcl.html

>  <CAS Number> (1,530)
51773-92-3

$$$$
Aliskiren hemifumarate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,531)
1531

>  <Formula> (1,531)
C64H110N6O16

>  <MolWeight> (1,531)
1219.5888

>  <Item Name> (1,531)
Aliskiren Hemifumarate

>  <Catalog Number> (1,531)
S2199

>  <Synonyms> (1,531)
N/A

>  <Target> (1,531)
RAAS

>  <Form> (1,531)
fumarate salt

>  <URL> (1,531)
http://www.selleckchem.com/products/Aliskiren-hemifumarate.html

>  <CAS Number> (1,531)
173334-58-2

$$$$
Bepotastine besilate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,532)
1532

>  <Formula> (1,532)
C27H31ClN2O6S

>  <MolWeight> (1,532)
547.06284

>  <Item Name> (1,532)
Bepotastine Besilate

>  <Catalog Number> (1,532)
S3037

>  <Synonyms> (1,532)
N/A

>  <Target> (1,532)
Histamine Receptor

>  <Form> (1,532)
Besilate salt

>  <URL> (1,532)
http://www.selleckchem.com/products/bepotastine-besilate.html

>  <CAS Number> (1,532)
190786-44-8

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,533)
1533

>  <Formula> (1,533)
C24H25ClFN5O3

>  <MolWeight> (1,533)
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>  <Item Name> (1,533)
Afatinib (BIBW2992)

>  <Catalog Number> (1,533)
S1011

>  <Synonyms> (1,533)
N/A

>  <Target> (1,533)
EGFR

>  <Form> (1,533)
Free Base

>  <URL> (1,533)
http://www.selleckchem.com/products/BIBW2992.html

>  <CAS Number> (1,533)
439081-18-2

$$$$
Daptomycin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,534)
1534

>  <Formula> (1,534)
C72H101N17O26

>  <MolWeight> (1,534)
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>  <Item Name> (1,534)
Daptomycin

>  <Catalog Number> (1,534)
S1373

>  <Synonyms> (1,534)
LY146032

>  <Target> (1,534)
Others

>  <Form> (1,534)
Free Base

>  <URL> (1,534)
http://www.selleckchem.com/products/Daptomycin.html

>  <CAS Number> (1,534)
103060-53-3

$$$$
Doripenem Hydrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,535)
1535

>  <Formula> (1,535)
C15H26N4O7S2

>  <MolWeight> (1,535)
438.51954

>  <Item Name> (1,535)
Doripenem Hydrate

>  <Catalog Number> (1,535)
S1374

>  <Synonyms> (1,535)
S-4661

>  <Target> (1,535)
Antifection

>  <Form> (1,535)
Hydrate

>  <URL> (1,535)
http://www.selleckchem.com/products/Doripenem-Hydrate.html

>  <CAS Number> (1,535)
364622-82-2

$$$$
Fesoterodine fumarate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,536)
1536

>  <Formula> (1,536)
C30H41NO7

>  <MolWeight> (1,536)
527.64904

>  <Item Name> (1,536)
Fesoterodine Fumarate

>  <Catalog Number> (1,536)
S2240

>  <Synonyms> (1,536)
N/A

>  <Target> (1,536)
AChR

>  <Form> (1,536)
Fumarate

>  <URL> (1,536)
http://www.selleckchem.com/products/Fesoterodine-fumarate-Toviaz.html

>  <CAS Number> (1,536)
286930-03-8

$$$$
Fosaprepitant dimeglumine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,537)
1537

>  <Formula> (1,537)
C37H56F7N6O16P

>  <MolWeight> (1,537)
1004.8337234

>  <Item Name> (1,537)
Fosaprepitant dimeglumine salt

>  <Catalog Number> (1,537)
S3038

>  <Synonyms> (1,537)
MK-0517

>  <Target> (1,537)
Others

>  <Form> (1,537)
dimeglumine salt

>  <URL> (1,537)
http://www.selleckchem.com/products/fosaprepitant.html

>  <CAS Number> (1,537)
265121-04-8

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,538)
1538

>  <Formula> (1,538)
C22H26ClF2NO4

>  <MolWeight> (1,538)
441.8959464

>  <Item Name> (1,538)
Nebivolol HCl

>  <Catalog Number> (1,538)
S1549

>  <Synonyms> (1,538)
N/A

>  <Target> (1,538)
Adrenergic Receptor

>  <Form> (1,538)
Hydrochloride

>  <URL> (1,538)
http://www.selleckchem.com/products/Nebivolol(Bystolic).html

>  <CAS Number> (1,538)
152520-56-4

$$$$
Ouabain Octahydrate.cdx
csChFnd80/10101813032D

 51 48  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
 35 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,539)
1539

>  <Formula> (1,539)
C29H60O20

>  <MolWeight> (1,539)
728.7747

>  <Item Name> (1,539)
Ouabain

>  <Catalog Number> (1,539)
S4016

>  <Synonyms> (1,539)
N/A

>  <Target> (1,539)
Sodium Channel

>  <Form> (1,539)
Free Base

>  <URL> (1,539)
http://www.selleckchem.com/products/ouabain.html

>  <CAS Number> (1,539)
630-60-4

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,540)
1540

>  <Formula> (1,540)
C44H69NO12

>  <MolWeight> (1,540)
804.01816

>  <Item Name> (1,540)
Tacrolimus (FK506)

>  <Catalog Number> (1,540)
S5003

>  <Synonyms> (1,540)
FR900506

>  <Target> (1,540)
mTOR

>  <Form> (1,540)
Free Base

>  <URL> (1,540)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

>  <CAS Number> (1,540)
104987-11-3

$$$$
Rosuvastatin calcium.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,541)
1541

>  <Formula> (1,541)
C44H54CaF2N6O12S2

>  <MolWeight> (1,541)
1001.1373664

>  <Item Name> (1,541)
Rosuvastatin Calcium

>  <Catalog Number> (1,541)
S2169

>  <Synonyms> (1,541)
ZD4522

>  <Target> (1,541)
HMG-CoA Reductase

>  <Form> (1,541)
Calcium salt

>  <URL> (1,541)
http://www.selleckchem.com/products/Rosuvastatin-calcium(Crestor).html

>  <CAS Number> (1,541)
147098-20-2

$$$$
R-Ruxolitinib.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,542)
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>  <Formula> (1,542)
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>  <Item Name> (1,542)
Ruxolitinib (INCB018424)

>  <Catalog Number> (1,542)
S1378

>  <Synonyms> (1,542)
N/A

>  <Target> (1,542)
JAK

>  <Form> (1,542)
Free Base

>  <URL> (1,542)
http://www.selleckchem.com/products/INCB18424.html

>  <CAS Number> (1,542)
941678-49-5

$$$$
Temsirolimus.cdx
csChFnd80/10101813032D

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>  <Formula> (1,543)
C56H87NO16

>  <MolWeight> (1,543)
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>  <Item Name> (1,543)
Temsirolimus (CCI-779, NSC 683864)

>  <Catalog Number> (1,543)
S1044

>  <Synonyms> (1,543)
N/A

>  <Target> (1,543)
mTOR

>  <Form> (1,543)
Free Base

>  <URL> (1,543)
http://www.selleckchem.com/products/Temsirolimus.html

>  <CAS Number> (1,543)
162635-04-3

$$$$
Mupirocin .cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,544)
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>  <Formula> (1,544)
C26H44O9

>  <MolWeight> (1,544)
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>  <Item Name> (1,544)
Mupirocin

>  <Catalog Number> (1,544)
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>  <Synonyms> (1,544)
N/A

>  <Target> (1,544)
DNA/RNA Synthesis

>  <Form> (1,544)
Free Base

>  <URL> (1,544)
http://www.selleckchem.com/products/mupirocin.html

>  <CAS Number> (1,544)
12650-69-0

$$$$
Nitenpyram.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,545)
1545

>  <Formula> (1,545)
C11H15ClN4O2

>  <MolWeight> (1,545)
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>  <Item Name> (1,545)
Nitenpyram

>  <Catalog Number> (1,545)
S4422

>  <Synonyms> (1,545)
N/A

>  <Target> (1,545)
AChR

>  <Form> (1,545)
Free Base

>  <URL> (1,545)
http://www.selleckchem.com/products/nitenpyram.html

>  <CAS Number> (1,545)
150824-47-8

$$$$
Salmeterol xinafoate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,546)
1546

>  <Formula> (1,546)
C36H45NO7

>  <MolWeight> (1,546)
603.745

>  <Item Name> (1,546)
Salmeterol Xinafoate

>  <Catalog Number> (1,546)
S4296

>  <Synonyms> (1,546)
N/A

>  <Target> (1,546)
Adrenergic Receptor

>  <Form> (1,546)
xinafoate

>  <URL> (1,546)
http://www.selleckchem.com/products/salmeterol-xinafoate.html

>  <CAS Number> (1,546)
94749-08-3

$$$$
PD128907.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,547)
1547

>  <Formula> (1,547)
C14H20ClNO3

>  <MolWeight> (1,547)
285.7665

>  <Item Name> (1,547)
PD128907 HCl

>  <Catalog Number> (1,547)
S2168

>  <Synonyms> (1,547)
PD128907

>  <Target> (1,547)
Dopamine Receptor

>  <Form> (1,547)
Hydrochloride

>  <URL> (1,547)
http://www.selleckchem.com/products/PD-128907.html

>  <CAS Number> (1,547)
112960-16-4

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,548)
1548

>  <Formula> (1,548)
C25H31N7O6

>  <MolWeight> (1,548)
525.55694

>  <Item Name> (1,548)
ENMD-2076 L-(+)-Tartaric acid

>  <Catalog Number> (1,548)
S2018

>  <Synonyms> (1,548)
N/A

>  <Target> (1,548)
FLT3

>  <Form> (1,548)
Free Base

>  <URL> (1,548)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

>  <CAS Number> (1,548)
1291074-87-7

$$$$
Tubacin.cdx
csChFnd80/10101813032D

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>  <Formula> (1,549)
C41H43N3O7S

>  <MolWeight> (1,549)
721.86102

>  <Item Name> (1,549)
Tubacin

>  <Catalog Number> (1,549)
S2239

>  <Synonyms> (1,549)
N/A

>  <Target> (1,549)
HDAC

>  <Form> (1,549)
Free Base

>  <URL> (1,549)
http://www.selleckchem.com/products/Tubacin.html

>  <CAS Number> (1,549)
537049-40-4

$$$$
(R)-Nepicastat HCL(RS-25560-198).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,550)
1550

>  <Formula> (1,550)
C14H16ClF2N3S

>  <MolWeight> (1,550)
331.8117464

>  <Item Name> (1,550)
(R)-Nepicastat HCl

>  <Catalog Number> (1,550)
S4926

>  <Synonyms> (1,550)
RS-25560-198 HCl

>  <Target> (1,550)
Hydroxylase

>  <Form> (1,550)
Hydrochloride

>  <URL> (1,550)
http://www.selleckchem.com/products/r-nepicastat-hcl.html

>  <CAS Number> (1,550)
195881-94-8

$$$$
Disopyramide Phosphate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,551)
1551

>  <Formula> (1,551)
C21H32N3O5P

>  <MolWeight> (1,551)
437.469641

>  <Item Name> (1,551)
Pentoxyverine Citrate

>  <Catalog Number> (1,551)
S4143

>  <Synonyms> (1,551)
Carbetapentane Citrate

>  <Target> (1,551)
AChR

>  <Form> (1,551)
Citrate

>  <URL> (1,551)
http://www.selleckchem.com/products/pentoxyverine-carbetapentane-citrate.html

>  <CAS Number> (1,551)
23142-01-0

$$$$
levobupivacaine hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,552)
1552

>  <Formula> (1,552)
C18H29ClN2O

>  <MolWeight> (1,552)
324.88866

>  <Item Name> (1,552)
Levobupivacaine HCl

>  <Catalog Number> (1,552)
S4061

>  <Synonyms> (1,552)
N/A

>  <Target> (1,552)
Sodium Channel

>  <Form> (1,552)
Hydrochloride

>  <URL> (1,552)
http://www.selleckchem.com/products/lvobupivacaine-hcl.html

>  <CAS Number> (1,552)
27262-48-2

$$$$
Ketorolac.cdx
csChFnd80/10101813032D

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>  <Formula> (1,553)
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Ketorolac

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>  <Synonyms> (1,553)
N/A

>  <Target> (1,553)
COX

>  <Form> (1,553)
Free Base

>  <URL> (1,553)
http://www.selleckchem.com/products/Ketorolac-Tromethamine(Toradol).html

>  <CAS Number> (1,553)
74103-07-4

$$$$
ACILAC (lactulose).cdx
csChFnd80/10101813032D

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1554

>  <Formula> (1,554)
C12H22O11

>  <MolWeight> (1,554)
342.29648

>  <Item Name> (1,554)
Lactulose

>  <Catalog Number> (1,554)
S1511

>  <Synonyms> (1,554)
N/A

>  <Target> (1,554)
Others

>  <Form> (1,554)
Free Base

>  <URL> (1,554)
http://www.selleckchem.com/products/Lactulose(Enulose).html

>  <CAS Number> (1,554)
4618-18-2

$$$$
WAY 100635 meleate.cdx
csChFnd80/10101813032D

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1555

>  <Formula> (1,555)
C29H38N4O6

>  <MolWeight> (1,555)
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>  <Item Name> (1,555)
WAY-100635 Maleate

>  <Catalog Number> (1,555)
S2663

>  <Synonyms> (1,555)
N/A

>  <Target> (1,555)
5-HT Receptor

>  <Form> (1,555)
Maleate

>  <URL> (1,555)
http://www.selleckchem.com/products/way-100635.html

>  <CAS Number> (1,555)
1092679-51-0

$$$$
PF-2341066.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,556)
1556

>  <Formula> (1,556)
C21H22Cl2FN5O

>  <MolWeight> (1,556)
450.3366832

>  <Item Name> (1,556)
Crizotinib (PF-02341066)

>  <Catalog Number> (1,556)
S1068

>  <Synonyms> (1,556)
N/A 

>  <Target> (1,556)
c-Met, ALK

>  <Form> (1,556)
Free Base

>  <URL> (1,556)
http://www.selleckchem.com/products/PF-2341066.html

>  <CAS Number> (1,556)
877399-52-5, 877399-53-6 (acetate)

$$$$
Eltrombopag diethanolamine salt.cdx
csChFnd80/10101813032D

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C29H36N6O6

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>  <Item Name> (1,557)
Eltrombopag olamine

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>  <Synonyms> (1,557)
SB-497115-GR, SB497115

>  <Target> (1,557)
Thrombin

>  <Form> (1,557)
diolamine

>  <URL> (1,557)
http://www.selleckchem.com/products/Eltrombopag-SB-497115-GR.html

>  <CAS Number> (1,557)
496775-62-3

$$$$
Eltrombopag (Promacta).cdx
csChFnd80/10101813032D

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C25H22N4O4

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Eltrombopag

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S4502

>  <Synonyms> (1,558)
N/A

>  <Target> (1,558)
Thrombin

>  <Form> (1,558)
Free Base

>  <URL> (1,558)
http://www.selleckchem.com/products/eltrombopag.html

>  <CAS Number> (1,558)
496775-61-2

$$$$
S4002.cdx
csChFnd80/10101813032D

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>  <Formula> (1,559)
C16H20F6N5O6P

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>  <Item Name> (1,559)
Sitagliptin phosphate monohydrate

>  <Catalog Number> (1,559)
S4002

>  <Synonyms> (1,559)
MK-0431

>  <Target> (1,559)
DPP-4

>  <Form> (1,559)
phosphate &monohydrate

>  <URL> (1,559)
http://www.selleckchem.com/products/Sitagliptin.html

>  <CAS Number> (1,559)
654671-77-9

$$$$
S3027.cdx
csChFnd80/10101813032D

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>  <Formula> (1,560)
C30H30CaO8

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>  <Item Name> (1,560)
Fenoprofen calcium hydrate

>  <Catalog Number> (1,560)
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>  <Synonyms> (1,560)
N/A

>  <Target> (1,560)
Immunology & Inflammation related

>  <Form> (1,560)
Calcium dihydrate salt

>  <URL> (1,560)
http://www.selleckchem.com/products/fenoprofen-calcium-hydrate.html

>  <CAS Number> (1,560)
71720-56-4

$$$$
S4059.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,561)
1561

>  <Formula> (1,561)
C5FeN6Na2O

>  <MolWeight> (1,561)
261.91764

>  <Item Name> (1,561)
Sodium Nitroprusside

>  <Catalog Number> (1,561)
S4059

>  <Synonyms> (1,561)
N/A

>  <Target> (1,561)
Others

>  <Form> (1,561)
Fe complex

>  <URL> (1,561)
http://www.selleckchem.com/products/sodium-nitroprusside.html

>  <CAS Number> (1,561)
14402-89-2

$$$$
Sertaconazole nitrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,562)
1562

>  <Formula> (1,562)
C20H16Cl3N3O4S

>  <MolWeight> (1,562)
500.78274

>  <Item Name> (1,562)
Sertaconazole nitrate

>  <Catalog Number> (1,562)
S3161

>  <Synonyms> (1,562)
FI-7045

>  <Target> (1,562)
Antifection

>  <Form> (1,562)
Nitrate

>  <URL> (1,562)
http://www.selleckchem.com/products/sertaconazole-nitrate.html

>  <CAS Number> (1,562)
99592-39-9

$$$$
S4503.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,563)
1563

>  <Formula> (1,563)
C18H32CaN2O10

>  <MolWeight> (1,563)
476.53208

>  <Item Name> (1,563)
Calcium D-Panthotenate

>  <Catalog Number> (1,563)
S4503

>  <Synonyms> (1,563)
D-Pantothenic Acid Calcium

>  <Target> (1,563)
Vitamin

>  <Form> (1,563)
Free Base

>  <URL> (1,563)
http://www.selleckchem.com/products/calcium-d-panthotenate.html

>  <CAS Number> (1,563)
137-08-6

$$$$
Gossypol-a ceticacid.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,564)
1564

>  <Formula> (1,564)
C32H34O10

>  <MolWeight> (1,564)
578.60636

>  <Item Name> (1,564)
gossypol-Acetic acid

>  <Catalog Number> (1,564)
S2303

>  <Synonyms> (1,564)
Pogosin, AT101

>  <Target> (1,564)
Dehydrogenase

>  <Form> (1,564)
Acetate

>  <URL> (1,564)
http://www.selleckchem.com/products/Gossypol.html

>  <CAS Number> (1,564)
12542-36-8

$$$$
S1096-JNJ26481585.cdx
csChFnd80/10101813032D

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C21H28Cl2N6O2

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Quisinostat (JNJ-26481585) 2HCl

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N/A

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HDAC

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Dihydrochloride

>  <URL> (1,565)
http://www.selleckchem.com/products/JNJ-26481585.html

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875320-31-3

$$$$
BMS-599626 (AC480).cdx
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C27H27FN8O3

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AC480 (BMS-599626)

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N/A

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HER2

>  <Form> (1,566)
Free Base

>  <URL> (1,566)
http://www.selleckchem.com/products/BMS-599626.html

>  <CAS Number> (1,566)
714971-09-2

$$$$
6-Mercaptopurine monohydrate.cdx
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C5H6N4OS

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6-Mercaptopurine (6-MP) Monohydrate

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S4504

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N/A

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DNA/RNA Synthesis

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Monohydrate

>  <URL> (1,567)
http://www.selleckchem.com/products/6-mercaptopurine-6-mp-monohydrate.html

>  <CAS Number> (1,567)
6112-76-1

$$$$
S1263.cdx
csChFnd80/10101813032D

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C22H18Cl2N8

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N/A

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GSK-3

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Free Base

>  <URL> (1,568)
http://www.selleckchem.com/products/CHIR-99021.html

>  <CAS Number> (1,568)
252917-06-9

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,569)
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>  <Formula> (1,569)
C21H20ClNO5

>  <MolWeight> (1,569)
401.8402

>  <Item Name> (1,569)
Flavopiridol (Alvocidib)

>  <Catalog Number> (1,569)
S1230

>  <Synonyms> (1,569)
NSC 649890 HCl,HMR-1275

>  <Target> (1,569)
CDK

>  <Form> (1,569)
Free Base

>  <URL> (1,569)
http://www.selleckchem.com/products/Flavopiridol.html

>  <CAS Number> (1,569)
146426-40-6

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,570)
1570

>  <Formula> (1,570)
C32H37NO8

>  <MolWeight> (1,570)
563.63808

>  <Item Name> (1,570)
Tamoxifen

>  <Catalog Number> (1,570)
S1238

>  <Synonyms> (1,570)
10540-29-1

>  <Target> (1,570)
Estrogen/progestogen Receptor

>  <Form> (1,570)
Free Base

>  <URL> (1,570)
http://www.selleckchem.com/products/Nolvadex.html

>  <CAS Number> (1,570)
ICI 46474

$$$$
Vinblastine sulfate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,571)
1571

>  <Formula> (1,571)
C46H60N4O13S

>  <MolWeight> (1,571)
909.0526

>  <Item Name> (1,571)
Vinblastine sulfate

>  <Catalog Number> (1,571)
S4505

>  <Synonyms> (1,571)
NSC49842

>  <Target> (1,571)
Microtubule Associated

>  <Form> (1,571)
Free Base

>  <URL> (1,571)
http://www.selleckchem.com/products/vinblastine-sulfate.html

>  <CAS Number> (1,571)
143-67-9

$$$$
Acetazolamide.cdx
csChFnd80/10101813032D

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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  3  6  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,572)
1572

>  <Formula> (1,572)
C4H6N4O3S2

>  <MolWeight> (1,572)
222.24544

>  <Item Name> (1,572)
Acetazolamide

>  <Catalog Number> (1,572)
S4506

>  <Synonyms> (1,572)
Diamox

>  <Target> (1,572)
Carbonic Anhydrase

>  <Form> (1,572)
Free Base

>  <URL> (1,572)
http://www.selleckchem.com/products/acetazolamide.html

>  <CAS Number> (1,572)
59-66-5

$$$$
2,2,2-Tribromoethanol.cdx
csChFnd80/10101813032D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,573)
1573

>  <Formula> (1,573)
C2H3Br3O

>  <MolWeight> (1,573)
282.75662

>  <Item Name> (1,573)
2,2,2-Tribromoethanol

>  <Catalog Number> (1,573)
S4508

>  <Synonyms> (1,573)
TBE, Tribromoethanol

>  <Target> (1,573)
Others

>  <Form> (1,573)
Free Base

>  <CAS Number> (1,573)
75-80-9

$$$$
17-Hydroxyprogesterone.cdx
csChFnd80/10101813032D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    7.0045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    6.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9584    4.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    1.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 17 22  1  6  0  0  0
 11 23  1  6  0  0  0
 10 24  1  6  0  0  0
  5 25  1  1  0  0  0
 12 26  1  1  0  0  0
  9 27  1  1  0  0  0
M  END
>  <Mol_ID> (1,574)
1574

>  <Formula> (1,574)
C21H30O3

>  <MolWeight> (1,574)
330.4611

>  <Item Name> (1,574)
17-Hydroxyprogesterone

>  <Catalog Number> (1,574)
S4507

>  <Synonyms> (1,574)
N/A

>  <Target> (1,574)
Estrogen/progestogen Receptor

>  <Form> (1,574)
Free Base

>  <URL> (1,574)
http://www.selleckchem.com/products/17-hydroxyprogesterone.html

>  <CAS Number> (1,574)
68-96-2

$$$$
Chloroxylenol.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,575)
1575

>  <Formula> (1,575)
C8H9ClO

>  <MolWeight> (1,575)
156.60946

>  <Item Name> (1,575)
Chloroxylenol

>  <Catalog Number> (1,575)
S4518

>  <Synonyms> (1,575)
N/A

>  <Target> (1,575)
Antifection

>  <Form> (1,575)
Free Base

>  <URL> (1,575)
http://www.selleckchem.com/products/chloroxylenol.html

>  <CAS Number> (1,575)
88-04-0

$$$$
Cefotaxime sodium.cdx
csChFnd80/10101813032D

 32 33  0  0  0  0  0  0  0  0999 V2000
    9.7458    4.2280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7458    5.6329    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9570    3.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3343    4.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3343    5.6329    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9620    6.3353    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1824    4.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9570    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3444    3.2381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3444    6.6228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1849    5.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3948    3.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1657    1.4278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7408    1.4234    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9921    6.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3948    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0021    7.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6297    4.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6054    1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498    6.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3645    8.6027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6054    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8168    2.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5349    7.7239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0762    5.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7168    8.9651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768    7.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6298    5.7022    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   10.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3834    6.9851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2159    1.2189    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 31  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,576)
1576

>  <Formula> (1,576)
C16H16N5NaO7S2

>  <MolWeight> (1,576)
477.44731

>  <Item Name> (1,576)
Cefotaxime sodium

>  <Catalog Number> (1,576)
S4517

>  <Synonyms> (1,576)
N/A

>  <Target> (1,576)
Antifection

>  <Form> (1,576)
Sodium Salt

>  <URL> (1,576)
http://www.selleckchem.com/products/cefotaxime-sodium.html

>  <CAS Number> (1,576)
64485-93-4

$$$$
6-Benzylaminopurine.cdx
csChFnd80/10101813032D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,577)
1577

>  <Formula> (1,577)
C12H11N5

>  <MolWeight> (1,577)
225.24924

>  <Item Name> (1,577)
6-Benzylaminopurine

>  <Catalog Number> (1,577)
S4511

>  <Synonyms> (1,577)
N/A

>  <Target> (1,577)
Others

>  <Form> (1,577)
Free Base

>  <URL> (1,577)
http://www.selleckchem.com/products/6-benzylaminopurine.html

>  <CAS Number> (1,577)
1214-39-7

$$$$
4-Aminobenzoic acid.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,578)
1578

>  <Formula> (1,578)
C7H7NO2

>  <MolWeight> (1,578)
137.13598

>  <Item Name> (1,578)
4-Aminobenzoic acid

>  <Catalog Number> (1,578)
S4510

>  <Synonyms> (1,578)
para-Aminobenzoic acid

>  <Target> (1,578)
Others

>  <Form> (1,578)
Free Base

>  <URL> (1,578)
http://www.selleckchem.com/products/4-aminobenzoic-acid.html

>  <CAS Number> (1,578)
150-13-0

$$$$
Fenofibric acid.cdx
csChFnd80/10101813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
   10.8828    2.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0645    1.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6741    1.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1684    3.3732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6078    3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2569    2.0788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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Fenofibric acid

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S4527

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NSC 281318, Trilipix, FNF acid

>  <Form> (1,579)
Free Base

>  <URL> (1,579)
http://www.selleckchem.com/products/fenofibric-acid.html

>  <CAS Number> (1,579)
42017-89-0

$$$$
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csChFnd80/10101813032D

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1580

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C16H14O3

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Fenbufen

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S4526

>  <Synonyms> (1,580)
Lederfen, CL-82204

>  <Target> (1,580)
COX

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Free Base

>  <URL> (1,580)
http://www.selleckchem.com/products/fenbufen.html

>  <CAS Number> (1,580)
36330-85-5

$$$$
(-)-MK 801 maleate.cdx
csChFnd80/10101813032D

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(-)-MK 801 maleate

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C13737

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GluR

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maleate

>  <URL> (1,581)
http://www.selleckchem.com/products/--mk-801-maleate.html

>  <CAS Number> (1,581)
121917-57-5

$$$$
(-)-MK 801 maleate.cdx
csChFnd80/10101813032D

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GluR

>  <Form> (1,582)
maleate

>  <URL> (1,582)
http://www.selleckchem.com/products/mk-801-maleate.html

>  <CAS Number> (1,582)
77086-22-7

$$$$
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Pentamidine isethionate

>  <Catalog Number> (1,583)
S4007

>  <Synonyms> (1,583)
N/A

>  <Target> (1,583)
Others

>  <Form> (1,583)
Free Base

>  <URL> (1,583)
http://www.selleckchem.com/products/pentamidine-isethionate.html

>  <CAS Number> (1,583)
140-64-7

$$$$
Esomeprazole sodium.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,584)
1584

>  <Formula> (1,584)
C17H18N3NaO3S

>  <MolWeight> (1,584)
367.39789

>  <Item Name> (1,584)
Esomeprazole sodium

>  <Catalog Number> (1,584)
S2233

>  <Synonyms> (1,584)
N/A

>  <Target> (1,584)
ATPase

>  <Form> (1,584)
Sodium salt

>  <URL> (1,584)
http://www.selleckchem.com/products/esomeprazole-sodium.html

>  <CAS Number> (1,584)
161796-78-7

$$$$
NEXIUM (esomeprazole magnesium).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,585)
1585

>  <Formula> (1,585)
C34H36MgN6O6S2

>  <MolWeight> (1,585)
713.12124

>  <Item Name> (1,585)
NEXIUM (esomeprazole magnesium)

>  <Catalog Number> (1,585)
S1743

>  <Synonyms> (1,585)
N/A

>  <Target> (1,585)
Proton Pump

>  <Form> (1,585)
Magnesium salt

>  <URL> (1,585)
http://www.selleckchem.com/products/nexium-esomeprazole-magnesium.html

>  <CAS Number> (1,585)
161973-10-0

$$$$
i-Inositol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,586)
1586

>  <Formula> (1,586)
C6H12O6

>  <MolWeight> (1,586)
180.15588

>  <Item Name> (1,586)
i-Inositol

>  <Catalog Number> (1,586)
S4530

>  <Synonyms> (1,586)
myo-inositol

>  <Target> (1,586)
Others

>  <Form> (1,586)
Free Base

>  <URL> (1,586)
http://www.selleckchem.com/products/i-inositol.html

>  <CAS Number> (1,586)
87-89-8

$$$$
Furazolidone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,587)
1587

>  <Formula> (1,587)
C8H7N3O5

>  <MolWeight> (1,587)
225.15828

>  <Item Name> (1,587)
Furazolidone

>  <Catalog Number> (1,587)
S4528

>  <Synonyms> (1,587)
N/A

>  <Target> (1,587)
Antifection

>  <Form> (1,587)
Free Base

>  <URL> (1,587)
http://www.selleckchem.com/products/furazolidone.html

>  <CAS Number> (1,587)
67-45-8

$$$$
Citric acid trilithium salt tetrahydrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,588)
1588

>  <Formula> (1,588)
C6H13Li3O11

>  <MolWeight> (1,588)
281.98382

>  <Item Name> (1,588)
Citric acid trilithium salt tetrahydrate

>  <Catalog Number> (1,588)
S4519

>  <Synonyms> (1,588)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (1,588)
Others

>  <Form> (1,588)
Free Base

>  <URL> (1,588)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

>  <CAS Number> (1,588)
6080-58-6

$$$$
4-Aminoantipyrine.cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4537    4.2097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4537    2.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3297    5.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5804    5.0510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2574    2.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7610    6.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1457    6.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    4.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2619    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276    7.5039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9579    7.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4662    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,589)
1589

>  <Formula> (1,589)
C11H13N3O

>  <MolWeight> (1,589)
203.24042

>  <Item Name> (1,589)
4-Aminoantipyrine

>  <Catalog Number> (1,589)
S4509

>  <Synonyms> (1,589)
Ampyrone, NSC 60242, Metapirazone, Solnapyrin-A, Solvapyrin-A, Minoazophene, Aminoazophene, Aminoanti

>  <Target> (1,589)
Orhers

>  <Form> (1,589)
Free Base

>  <URL> (1,589)
http://www.selleckchem.com/products/4-aminoantipyrine.html

>  <CAS Number> (1,589)
83-07-8

$$$$
Ethylparaben.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,590)
1590

>  <Formula> (1,590)
C9H10O3

>  <MolWeight> (1,590)
166.1739

>  <Item Name> (1,590)
Ethylparaben

>  <Catalog Number> (1,590)
S4525

>  <Synonyms> (1,590)
Ethyl parahydroxybenzoate, Ethyl 4-hydroxybenzoate

>  <Target> (1,590)
Antifection

>  <Form> (1,590)
Free Base

>  <URL> (1,590)
http://www.selleckchem.com/products/ethylparaben.html

>  <CAS Number> (1,590)
120-47-8

$$$$
Iopamidol.cdx
csChFnd80/10101813032D

 31 31  0  0  0  0  0  0  0  0999 V2000
    6.0623    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    8.4001    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2001    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    4.2001    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    6.3002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    8.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6997    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5496    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    9.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 22 29  1  6  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,591)
1591

>  <Formula> (1,591)
C17H22I3N3O8

>  <MolWeight> (1,591)
777.08529

>  <Item Name> (1,591)
Iopamidol

>  <Catalog Number> (1,591)
S4532

>  <Synonyms> (1,591)
Iopamiro, Isovue, Iopamiron, Niopam, Solutrast

>  <Target> (1,591)
Others

>  <Form> (1,591)
Free Base

>  <URL> (1,591)
http://www.selleckchem.com/products/iopamidol.html

>  <CAS Number> (1,591)
60166-93-0

$$$$
Nitrofurantoin.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6116    2.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3338    2.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561    0.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    3.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3915    1.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0852    0.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4916    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    4.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    5.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3252    4.5449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2029    6.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2674    5.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5738    6.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6590    5.4267    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.5015    6.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2217    4.1448    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,592)
1592

>  <Formula> (1,592)
C8H6N4O5

>  <MolWeight> (1,592)
238.15704

>  <Item Name> (1,592)
Nitrofurantoin

>  <Catalog Number> (1,592)
S4536

>  <Synonyms> (1,592)
Macrodantin, Furadantine, Furadonine

>  <Target> (1,592)
Antifection

>  <Form> (1,592)
Free Base

>  <URL> (1,592)
http://www.selleckchem.com/products/nitrofurantoin.html

>  <CAS Number> (1,592)
67-20-9

$$$$
Dehydroacetic acid.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,593)
1593

>  <Formula> (1,593)
C8H8O4

>  <MolWeight> (1,593)
168.14672

>  <Item Name> (1,593)
Dehydroacetic acid

>  <Catalog Number> (1,593)
S4522

>  <Synonyms> (1,593)
Biocide 470F, Methylacetopyronone

>  <Target> (1,593)
Antifection

>  <Form> (1,593)
Free Base

>  <URL> (1,593)
http://www.selleckchem.com/products/dehydroacetic-acid.html

>  <CAS Number> (1,593)
520-45-6

$$$$
Acetylleucine.cdx
csChFnd80/10101813032D

 13 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  1 13  1  6  0  0  0
M  END
>  <Mol_ID> (1,594)
1594

>  <Formula> (1,594)
C8H15NO3

>  <MolWeight> (1,594)
173.2096

>  <Item Name> (1,594)
Acetylleucine

>  <Catalog Number> (1,594)
S4514

>  <Synonyms> (1,594)
N-acetyl-L-leucine

>  <Target> (1,594)
Others

>  <Form> (1,594)
Free Base

>  <URL> (1,594)
http://www.selleckchem.com/products/acetylleucine.html

>  <CAS Number> (1,594)
99-15-0

$$$$
Aceglutamide.cdx
csChFnd80/10101813032D

 13 12  0  0  0  0  0  0  0  0999 V2000
    4.8382    3.4913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6296    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    2.1110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0502    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    3.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    1.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0502    5.5957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2724    3.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    2.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    5.5957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,595)
1595

>  <Formula> (1,595)
C7H12N2O4

>  <MolWeight> (1,595)
188.18118

>  <Item Name> (1,595)
Aceglutamide

>  <Catalog Number> (1,595)
S4512

>  <Synonyms> (1,595)
¦Á-N-Acetyl-L-glutamine, N2-Acetylglutamine

>  <Target> (1,595)
Others

>  <Form> (1,595)
Free Base

>  <URL> (1,595)
http://www.selleckchem.com/products/aceglutamide.html

>  <CAS Number> (1,595)
2490-97-3

$$$$
Bucetin.cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
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  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
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  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,596)
1596

>  <Formula> (1,596)
C12H17NO3

>  <MolWeight> (1,596)
223.26828

>  <Item Name> (1,596)
Bucetin

>  <Catalog Number> (1,596)
S4554

>  <Synonyms> (1,596)
N/A

>  <Target> (1,596)
Others

>  <Form> (1,596)
Free Base

>  <URL> (1,596)
http://www.selleckchem.com/products/bucetin.html

>  <CAS Number> (1,596)
1083-57-4

$$$$
Bithionol.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6453    3.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8577    4.1791    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0732    3.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    5.5867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4814    1.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1083    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2023    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2129    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4814    0.0199    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5058    3.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663    5.6032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3604    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5081    2.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7182    4.1808    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3604    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
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  6 12  1  0  0  0  0
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  8 11  2  0  0  0  0
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 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,597)
1597

>  <Formula> (1,597)
C12H6Cl4O2S

>  <MolWeight> (1,597)
356.05184

>  <Item Name> (1,597)
Bithionol

>  <Catalog Number> (1,597)
S4552

>  <Synonyms> (1,597)
Actamer

>  <Target> (1,597)
cAMP

>  <Form> (1,597)
Free Base

>  <URL> (1,597)
http://www.selleckchem.com/products/bithionol.html

>  <CAS Number> (1,597)
97-18-7

$$$$
Resorcinol.cdx
csChFnd80/10101813032D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4183    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    2.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    2.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183    2.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,598)
1598

>  <Formula> (1,598)
C6H6O2

>  <MolWeight> (1,598)
110.11064

>  <Item Name> (1,598)
Resorcinol

>  <Catalog Number> (1,598)
S4579

>  <Synonyms> (1,598)
m-dihydroxybenzene, 3-hydroxyphenol

>  <Target> (1,598)
Antifection

>  <Form> (1,598)
Free Base

>  <URL> (1,598)
http://www.selleckchem.com/products/resorcinol.html

>  <CAS Number> (1,598)
108-46-3

$$$$
Aminoguanidine (hydrochloride).cdx
csChFnd80/10101813032D

  6  4  0  0  0  0  0  0  0  0999 V2000
    2.4247    0.4238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.5235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.1238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  1  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,599)
1599

>  <Formula> (1,599)
CH7ClN4

>  <MolWeight> (1,599)
110.54608

>  <Item Name> (1,599)
Aminoguanidine (hydrochloride)

>  <Catalog Number> (1,599)
S4548

>  <Synonyms> (1,599)
Pimagedine, Guanyl hydrazine, Hydrazinecarboximidamide, Imino semicarbazide, Monoaminoguanidine

>  <Target> (1,599)
Others

>  <Form> (1,599)
hydrochloride

>  <URL> (1,599)
http://www.selleckchem.com/products/aminoguanidine-hydrochloride.html

>  <CAS Number> (1,599)
1937-19-5

$$$$
Diethylcarbamazine (citrate).cdx
csChFnd80/10101813032D

 27 26  0  0  0  0  0  0  0  0999 V2000
    3.6248    2.6912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8372    3.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144    1.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3991    3.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0493    2.6914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8372    4.7916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4152    0.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879    2.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0493    1.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2629    0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4739    2.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8082    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0206    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2330    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0206    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4455    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6579    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8703    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2330    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6579    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0828    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8703    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,600)
1600

>  <Formula> (1,600)
C16H29N3O8

>  <MolWeight> (1,600)
391.41676

>  <Item Name> (1,600)
Diethylcarbamazine (citrate)

>  <Catalog Number> (1,600)
S4564

>  <Synonyms> (1,600)
N/A

>  <Target> (1,600)
Antifection

>  <Form> (1,600)
Free Base

>  <URL> (1,600)
http://www.selleckchem.com/products/diethylcarbamazine-citrate.html

>  <CAS Number> (1,600)
1642-54-2

$$$$
Danthron.cdx
csChFnd80/10101813032D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4399    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,601)
1601

>  <Formula> (1,601)
C14H8O4

>  <MolWeight> (1,601)
240.21092

>  <Item Name> (1,601)
Danthron

>  <Catalog Number> (1,601)
S4561

>  <Synonyms> (1,601)
chrysazin, Antrapurol

>  <Target> (1,601)
Others

>  <Form> (1,601)
Free Base

>  <URL> (1,601)
http://www.selleckchem.com/products/danthron.html

>  <CAS Number> (1,601)
117-10-2

$$$$
Trihexyphenidyl (hydrochloride).cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.0702    3.6253    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7702    4.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3702    2.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8552    4.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    2.9268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1728    4.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0743    6.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9863    2.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    1.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6427    3.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8831    6.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7849    7.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2782    1.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    4.3268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1864    7.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9740    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    5.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    6.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034    5.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,602)
1602

>  <Formula> (1,602)
C20H32ClNO

>  <MolWeight> (1,602)
337.92718

>  <Item Name> (1,602)
Trihexyphenidyl hydrochloride

>  <Catalog Number> (1,602)
S4542

>  <Synonyms> (1,602)
Benzhexol hydrochloride, Artane hydrochloride

>  <Target> (1,602)
AChR

>  <Form> (1,602)
hydrochloride

>  <URL> (1,602)
http://www.selleckchem.com/products/trihexyphenidyl-hydrochloride.html

>  <CAS Number> (1,602)
52-49-3

$$$$
Trimetazidine (dihydrochloride).cdx
csChFnd80/10101813032D

 21 20  0  0  0  0  0  0  0  0999 V2000
    3.2683    4.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2660    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0571    4.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4819    4.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4773    2.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0524    2.1060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0594    6.3060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6932    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6909    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    0.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8412    2.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730    7.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8481    7.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9022    2.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6863    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2753    8.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8504    8.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1158    2.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640    9.1060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   11.9957    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9957    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,603)
1603

>  <Formula> (1,603)
C14H24Cl2N2O3

>  <MolWeight> (1,603)
339.25796

>  <Item Name> (1,603)
Trimetazidine dihydrochloride

>  <Catalog Number> (1,603)
S4543

>  <Synonyms> (1,603)
Yoshimilon, Kyurinett, Vastarel F

>  <Target> (1,603)
Others

>  <Form> (1,603)
Dihydrochloride

>  <URL> (1,603)
http://www.selleckchem.com/products/trimetazidine-dihydrochloride.html

>  <CAS Number> (1,603)
13171-25-0

$$$$
Pantoprazole sodium.cdx
csChFnd80/10101813032D

 27 28  0  0  0  0  0  0  0  0999 V2000
    6.1061    3.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061    1.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    3.6645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9055    3.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    1.3806    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.9055    1.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2406    2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7115    3.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7115    1.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6358    2.5289    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.4788    3.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3497    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3497    3.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2329    3.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7384    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9565    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2329    1.8346    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4390    2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4390    0.1279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8211    2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6864    3.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8211    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5413    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5673    3.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4066    4.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700    3.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1140    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,604)
1604

>  <Formula> (1,604)
C16H14F2N3NaO4S

>  <MolWeight> (1,604)
405.3516364

>  <Item Name> (1,604)
Pantoprazole sodium

>  <Catalog Number> (1,604)
S4538

>  <Synonyms> (1,604)
SKF96022 sodium, BY-1023 sodium

>  <Target> (1,604)
Proton Pump

>  <Form> (1,604)
Free Base

>  <URL> (1,604)
http://www.selleckchem.com/products/pantoprazole-sodium.html

>  <CAS Number> (1,604)
138786-67-1

$$$$
Salicylic acid.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,605)
1605

>  <Formula> (1,605)
C7H6O3

>  <MolWeight> (1,605)
138.12074

>  <Item Name> (1,605)
Salicylic acid

>  <Catalog Number> (1,605)
S4539

>  <Synonyms> (1,605)
2-Hydroxybenzoic acid

>  <Target> (1,605)
COX

>  <Form> (1,605)
Free Base

>  <URL> (1,605)
http://www.selleckchem.com/products/salicylic-acid.html

>  <CAS Number> (1,605)
69-72-7

$$$$
Methylene Blue.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0477    3.0335    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,606)
1606

>  <Formula> (1,606)
C16H18ClN3S

>  <MolWeight> (1,606)
319.85222

>  <Item Name> (1,606)
Methylene Blue

>  <Catalog Number> (1,606)
S4535

>  <Synonyms> (1,606)
Basic Blue 9, Tetramethylthionine chloride, methylthioninium chloride, CI-52015

>  <Target> (1,606)
Others

>  <Form> (1,606)
Free Base

>  <URL> (1,606)
http://www.selleckchem.com/products/methylene-blue.html

>  <CAS Number> (1,606)
61-73-4

$$$$
Idramantone.cdx
csChFnd80/10101813032D

 12 14  0  0  0  0  0  0  0  0999 V2000
    1.3305    1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4368    0.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3305    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580    2.1348    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0601    4.1540    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8689    2.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580    3.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0737    1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8689    3.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4935    4.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,607)
1607

>  <Formula> (1,607)
C10H14O2

>  <MolWeight> (1,607)
166.21696

>  <Item Name> (1,607)
Idramantone

>  <Catalog Number> (1,607)
S4529

>  <Synonyms> (1,607)
Kemantane, 5-Hydroxy-2-adamantanone

>  <Target> (1,607)
Immunology & Inflammation related

>  <Form> (1,607)
Free Base

>  <URL> (1,607)
http://www.selleckchem.com/products/idramantone.html

>  <CAS Number> (1,607)
20098-14-0

$$$$
Carsalam.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4043    2.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4043    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    0.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    2.1325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    4.1978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,608)
1608

>  <Formula> (1,608)
C8H5NO3

>  <MolWeight> (1,608)
163.1302

>  <Item Name> (1,608)
Carsalam

>  <Catalog Number> (1,608)
S4555

>  <Synonyms> (1,608)
Carbonylsalicylamide

>  <Target> (1,608)
Antifection

>  <Form> (1,608)
Free Base

>  <URL> (1,608)
http://www.selleckchem.com/products/carsalam.html

>  <CAS Number> (1,608)
2037-95-8

$$$$
S4571 Hexylresorcinol.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6570    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    3.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8693    1.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208    2.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    2.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2952    1.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5082    2.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7201    1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9325    2.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,609)
1609

>  <Formula> (1,609)
C12H18O2

>  <MolWeight> (1,609)
194.27012

>  <Item Name> (1,609)
Hexylresorcinol

>  <Catalog Number> (1,609)
S4571

>  <Synonyms> (1,609)
4-Hexylresorcinol

>  <Target> (1,609)
Tyrosinase

>  <Form> (1,609)
Free Base

>  <URL> (1,609)
http://www.selleckchem.com/products/hexylresorcinol.html

>  <CAS Number> (1,609)
136-77-6

$$$$
S4569 Fluphenazine (dihydrochloride).cdx
csChFnd80/10101813032D

 32 33  0  0  0  0  0  0  0  0999 V2000
   12.2829    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0855    2.8089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2748    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5086    2.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8512    2.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1015    4.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0571    0.0008    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4522    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7060    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8475    0.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6496    2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3233    4.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7069    0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9072    2.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6338    0.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4235    2.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3391    6.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1345    3.8854    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.8901    1.7461    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9691    3.6511    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4073    0.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5318    6.9597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7332    6.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5480    8.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9550    6.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7698    9.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9713    8.3391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1978    9.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4072    8.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6330    8.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   29.1129    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   29.1129    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,610)
1610

>  <Formula> (1,610)
C22H28Cl2F3N3OS

>  <MolWeight> (1,610)
510.4434296

>  <Item Name> (1,610)
Fluphenazine (dihydrochloride)

>  <Catalog Number> (1,610)
S4569

>  <Synonyms> (1,610)
Prolixin

>  <Target> (1,610)
Dopamine Receptor

>  <Form> (1,610)
dihydrochloride

>  <URL> (1,610)
http://www.selleckchem.com/products/fluphenazine-dihydrochloride.html

>  <CAS Number> (1,610)
146-56-5

$$$$
S4566 DL-Panthenol.cdx
csChFnd80/10101813032D

 14 13  0  0  0  0  0  0  0  0999 V2000
    3.3124    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,611)
1611

>  <Formula> (1,611)
C9H19NO4

>  <MolWeight> (1,611)
205.25146

>  <Item Name> (1,611)
DL-Panthenol

>  <Catalog Number> (1,611)
S4566

>  <Synonyms> (1,611)
DL-Pantothenol, DL-Pantothenyl alcohol

>  <Target> (1,611)
Others

>  <Form> (1,611)
Free Base

>  <URL> (1,611)
http://www.selleckchem.com/products/dl-panthenol.html

>  <CAS Number> (1,611)
16485-10-2

$$$$
S4565 Diiodohydroxyquinoline.cdx
csChFnd80/10101813032D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6213    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    3.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8373    1.3791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4634    4.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    3.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4634    5.5870    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0597    3.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4099    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,612)
1612

>  <Formula> (1,612)
C9H5I2NO

>  <MolWeight> (1,612)
396.95104

>  <Item Name> (1,612)
Diiodohydroxyquinoline

>  <Catalog Number> (1,612)
S4565

>  <Synonyms> (1,612)
Iodoquinol

>  <Target> (1,612)
Antifection

>  <Form> (1,612)
Free Base

>  <URL> (1,612)
http://www.selleckchem.com/products/diiodohydroxyquinoline.html

>  <CAS Number> (1,612)
83-73-8

$$$$
S4559 Cloxiquine.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,613)
1613

>  <Formula> (1,613)
C9H6ClNO

>  <MolWeight> (1,613)
179.60304

>  <Item Name> (1,613)
Cloxiquine

>  <Catalog Number> (1,613)
S4559

>  <Synonyms> (1,613)
5-Chloro-8-quinolinol, Dermofungin|

>  <Target> (1,613)
Antifection

>  <Form> (1,613)
Free Base

>  <URL> (1,613)
http://www.selleckchem.com/products/cloxiquine.html

>  <CAS Number> (1,613)
130-16-5

$$$$
S4558 Citiolone.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2650    0.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129    2.1644    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4131    2.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6191    3.3090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027    0.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134    3.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8196    4.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6016    1.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  3  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,614)
1614

>  <Formula> (1,614)
C6H9NO2S

>  <MolWeight> (1,614)
159.20616

>  <Item Name> (1,614)
Citiolone

>  <Catalog Number> (1,614)
S4558

>  <Synonyms> (1,614)
N/A

>  <Target> (1,614)
Others

>  <Form> (1,614)
Free Base

>  <URL> (1,614)
http://www.selleckchem.com/products/citiolone.html

>  <CAS Number> (1,614)
1195-16-0

$$$$
S4556 Carzenide.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.4038    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1944    3.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6109    3.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038    1.4001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1979    4.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6245    4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4332    5.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4332    7.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    7.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    7.6977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,615)
1615

>  <Formula> (1,615)
C7H7NO4S

>  <MolWeight> (1,615)
201.19978

>  <Item Name> (1,615)
Carzenide

>  <Catalog Number> (1,615)
S4556

>  <Synonyms> (1,615)
4-Sulfamoylbenzoic acid

>  <Target> (1,615)
Others

>  <Form> (1,615)
Free Base

>  <URL> (1,615)
http://www.selleckchem.com/products/carzenide.html

>  <CAS Number> (1,615)
138-41-0

$$$$
S4553 Bronopol.cdx
csChFnd80/10101813032D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.3422    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    1.3523    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3523    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    1.3523    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7146    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,616)
1616

>  <Formula> (1,616)
C3H6BrNO4

>  <MolWeight> (1,616)
199.98804

>  <Item Name> (1,616)
Bronopol

>  <Catalog Number> (1,616)
S4553

>  <Synonyms> (1,616)
N/A

>  <Target> (1,616)
Antifection

>  <Form> (1,616)
Free Base

>  <URL> (1,616)
http://www.selleckchem.com/products/bronopol.html

>  <CAS Number> (1,616)
52-51-7

$$$$
S4516 (+)-Camphor.cdx
csChFnd80/10101813032D

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    0.0000    1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3545    4.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7168    5.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520    0.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2383    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 10  1  0  0  0  0
  3 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,617)
1617

>  <Formula> (1,617)
C10H16O

>  <MolWeight> (1,617)
152.23344

>  <Item Name> (1,617)
(+)-Camphor

>  <Catalog Number> (1,617)
S4516

>  <Synonyms> (1,617)
N/A

>  <Target> (1,617)
TRPV

>  <Form> (1,617)
Free Base

>  <URL> (1,617)
http://www.selleckchem.com/products/camphor.html

>  <CAS Number> (1,617)
464-49-3

$$$$
S4594 Cephalothin.cdx
csChFnd80/10101813032D

 27 28  0  0  0  0  0  0  0  0999 V2000
    8.3513    2.8738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3545    4.2919    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5792    2.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9247    2.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9378    4.2835    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5671    4.9696    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7366    2.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792    0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9347    1.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7416    4.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9490    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1623    2.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3659    4.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  4  5  1  0  0  0  0
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  7 11  1  0  0  0  0
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 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,618)
1618

>  <Formula> (1,618)
C16H15N2NaO6S2

>  <MolWeight> (1,618)
418.41987

>  <Item Name> (1,618)
Cephalothin

>  <Catalog Number> (1,618)
S4594

>  <Synonyms> (1,618)
Cefalotin

>  <Target> (1,618)
Antifection

>  <Form> (1,618)
Free Base

>  <URL> (1,618)
http://www.selleckchem.com/products/cephalothin.html

>  <CAS Number> (1,618)
58-71-9

$$$$
S4593 Chlormadinone acetate.cdx
csChFnd80/10101813032D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.5829    6.0647    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2530    5.6262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3672    4.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6204    7.0047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2956    7.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2530    4.2135    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0109    6.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2384    7.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5926    3.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9502    6.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3448    8.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9702    7.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2128    3.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0304    4.9393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
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  6  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,619)
1619

>  <Formula> (1,619)
C23H29ClO4

>  <MolWeight> (1,619)
404.92696

>  <Item Name> (1,619)
Chlormadinone acetate

>  <Catalog Number> (1,619)
S4593

>  <Synonyms> (1,619)
Gestafortin

>  <Target> (1,619)
Estrogen/progestogen

>  <Form> (1,619)
Free Base

>  <URL> (1,619)
http://www.selleckchem.com/products/chlormadinone-acetate.html

>  <CAS Number> (1,619)
302-22-7

$$$$
Terpin (hydrate).cdx
csChFnd80/10101813032D

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.1758    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3882    2.1103    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3790    3.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5807    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6014    4.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7946    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7974    3.4865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1761    3.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2747    4.8026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6230    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
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  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 12  1  6  0  0  0
M  END
>  <Mol_ID> (1,620)
1620

>  <Formula> (1,620)
C10H22O3

>  <MolWeight> (1,620)
190.27988

>  <Item Name> (1,620)
Terpin (hydrate)

>  <Catalog Number> (1,620)
S4577

>  <Synonyms> (1,620)
N/A

>  <Target> (1,620)
Others

>  <Form> (1,620)
hydrate

>  <URL> (1,620)
http://www.selleckchem.com/products/terpin-hydrate.html

>  <CAS Number> (1,620)
2451-01-6

$$$$
Xylitol.cdx
csChFnd80/10101813032D

 10  9  0  0  0  0  0  0  0  0999 V2000
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,621)
1621

>  <Formula> (1,621)
C5H12O5

>  <MolWeight> (1,621)
152.14578

>  <Item Name> (1,621)
Xylitol

>  <Catalog Number> (1,621)
S4546

>  <Synonyms> (1,621)
Adonitol, Ribitol, Xylite, D-Xylitol, Adonite

>  <Target> (1,621)
Others

>  <Form> (1,621)
Free Base

>  <URL> (1,621)
http://www.selleckchem.com/products/xylitol.html

>  <CAS Number> (1,621)
87-99-0

$$$$
Urethane.cdx
csChFnd80/10101813032D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,622)
1622

>  <Formula> (1,622)
C3H7NO2

>  <MolWeight> (1,622)
89.09318

>  <Item Name> (1,622)
Urethane

>  <Catalog Number> (1,622)
S4544

>  <Synonyms> (1,622)
Carbamic acid ethyl ester, Ethyl carbamate, Ethylurethane

>  <Target> (1,622)
Others

>  <Form> (1,622)
Free Base

>  <URL> (1,622)
http://www.selleckchem.com/products/urethane.html

>  <CAS Number> (1,622)
51-79-6

$$$$
S4597 Lercanidipine (hydrochloride).cdx
csChFnd80/10101813032D

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    3.6428    5.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6428    6.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0636    6.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8486    4.4701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272    7.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272    8.6642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101    6.5669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,623)
1623

>  <Formula> (1,623)
C36H42ClN3O6

>  <MolWeight> (1,623)
648.18818

>  <Item Name> (1,623)
Lercanidipine (hydrochloride)

>  <Catalog Number> (1,623)
S4597

>  <Synonyms> (1,623)
Zanidip (hydrochloride), Masnidipine (hydrochloride)

>  <Target> (1,623)
Calcium Channel

>  <Form> (1,623)
hydrochloride

>  <URL> (1,623)
http://www.selleckchem.com/products/lercanidipine-hydrochloride.html

>  <CAS Number> (1,623)
132866-11-6

$$$$
S4596 Cefixime.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,624)
1624

>  <Formula> (1,624)
C16H15N5O7S2

>  <MolWeight> (1,624)
453.4496

>  <Item Name> (1,624)
Cefixime

>  <Catalog Number> (1,624)
S4596

>  <Synonyms> (1,624)
Cefixima, Cefiximum, Cephoral, Cefspan, FR-17027, FK-027, CL-284635

>  <Target> (1,624)
Antifection

>  <Form> (1,624)
Free Base

>  <URL> (1,624)
http://www.selleckchem.com/products/cefixime.html

>  <CAS Number> (1,624)
79350-37-1

$$$$
S4595 Cefazolin (sodium).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,625)
1625

>  <Formula> (1,625)
C14H13N8NaO4S3

>  <MolWeight> (1,625)
476.48899

>  <Item Name> (1,625)
Cefazolin Sodium

>  <Catalog Number> (1,625)
S4595

>  <Synonyms> (1,625)
cefazoline sodium, cephazolin sodium, Ancef

>  <Target> (1,625)
Antifection

>  <Form> (1,625)
Sodium Salt

>  <URL> (1,625)
http://www.selleckchem.com/products/cefazolin-sodium.html

>  <CAS Number> (1,625)
27164-46-1

$$$$
S4591 Nitroxoline.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,626)
1626

>  <Formula> (1,626)
C9H6N2O3

>  <MolWeight> (1,626)
190.15554

>  <Item Name> (1,626)
Nitroxoline

>  <Catalog Number> (1,626)
S4591

>  <Synonyms> (1,626)
8-Hydroxy-5-nitroquinoline, 5-nitroquinolin-8-ol, 5-Nitro-8-quinolinol|5-Nitro-8-hydroxyquinoline

>  <Target> (1,626)
Topoisomerase

>  <Form> (1,626)
Free Base

>  <URL> (1,626)
http://www.selleckchem.com/products/nitroxoline.html

>  <CAS Number> (1,626)
4008-48-4

$$$$
S4587 Dithranol.cdx
csChFnd80/10101813032D

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  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,627)
1627

>  <Formula> (1,627)
C6H10N4

>  <MolWeight> (1,627)
138.1704

>  <Item Name> (1,627)
Pentylenetetrazol

>  <Catalog Number> (1,627)
S4587

>  <Synonyms> (1,627)
	Pentylenetetrazole, Metrazole, pentetrazol, pentamethylenetetrazol, Corazol, Cardiazol, PTZ

>  <Target> (1,627)
GABA Receptor

>  <Form> (1,627)
Free Base

>  <URL> (1,627)
http://www.selleckchem.com/products/pentylenetetrazol.html

>  <CAS Number> (1,627)
54-95-5

$$$$
S4586 4-Chloro-DL-phenylalanine.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0591    2.1227    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2715    2.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467    2.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    0.7227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4840    2.1227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    4.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6342    2.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181    2.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6454    0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2051    2.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    0.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,628)
1628

>  <Formula> (1,628)
C9H10ClNO2

>  <MolWeight> (1,628)
199.6342

>  <Item Name> (1,628)
4-Chloro-DL-phenylalanine

>  <Catalog Number> (1,628)
S4586

>  <Synonyms> (1,628)
Fenclonine, PCPA, CP-10188

>  <Target> (1,628)
Hydroxylase

>  <Form> (1,628)
Free Base

>  <URL> (1,628)
http://www.selleckchem.com/products/4-chloro-dl-phenylalanine.html

>  <CAS Number> (1,628)
7424-00-2

$$$$
S4585 Succinylsulfathiazole.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.6711    7.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3711    8.5190    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2884    7.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3911    6.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0711    9.7314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5746    7.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497    9.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6129    6.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7025    4.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4621    9.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3015    4.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3006   10.8813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2845    8.6138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6015    3.6364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6464   10.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6338    9.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5004    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4996    4.8495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,629)
1629

>  <Formula> (1,629)
C13H13N3O5S2

>  <MolWeight> (1,629)
355.38942

>  <Item Name> (1,629)
Succinylsulfathiazole

>  <Catalog Number> (1,629)
S4585

>  <Synonyms> (1,629)
Succinylsulphathiazole

>  <Target> (1,629)
Antifection

>  <Form> (1,629)
Free Base

>  <URL> (1,629)
http://www.selleckchem.com/products/succinylsulfathiazole.html

>  <CAS Number> (1,629)
116-43-8

$$$$
S4584 Butylparaben.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6474    2.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    0.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    2.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0673    2.1188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597    4.2211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234    2.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2818    2.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4929    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7057    2.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9177    2.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,630)
1630

>  <Formula> (1,630)
C11H14O3

>  <MolWeight> (1,630)
194.22706

>  <Item Name> (1,630)
Butylparaben

>  <Catalog Number> (1,630)
S4584

>  <Synonyms> (1,630)
Butyl parahydroxybenzoate, Butyl paraben, Butyl 4-hydroxybenzoate

>  <Target> (1,630)
Antifection

>  <Form> (1,630)
Free Base

>  <URL> (1,630)
http://www.selleckchem.com/products/butylparaben.html

>  <CAS Number> (1,630)
94-26-8

$$$$
S4583 Butamben.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,631)
1631

>  <Formula> (1,631)
C11H15NO2

>  <MolWeight> (1,631)
193.2423

>  <Item Name> (1,631)
Butamben

>  <Catalog Number> (1,631)
S4583

>  <Synonyms> (1,631)
Butyl 4-aminobenzoate

>  <Target> (1,631)
Others

>  <Form> (1,631)
Free Base

>  <URL> (1,631)
http://www.selleckchem.com/products/butamben.html

>  <CAS Number> (1,631)
94-25-7

$$$$
S4580 Hydroquinone.cdx
csChFnd80/10101813032D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.2042    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    3.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880    5.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4409    2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2367    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2529    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,632)
1632

>  <Formula> (1,632)
C6H6O2

>  <MolWeight> (1,632)
110.11064

>  <Item Name> (1,632)
Hydroquinone

>  <Catalog Number> (1,632)
S4580

>  <Synonyms> (1,632)
Quinol, 1,4-Benzenediol, 1,4-Dihydroxybenzene, HQ

>  <Target> (1,632)
ROS

>  <Form> (1,632)
Free Base

>  <URL> (1,632)
http://www.selleckchem.com/products/hydroquinone.html

>  <CAS Number> (1,632)
123-31-9

$$$$
S4576 Sulfabenzamide.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6356    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8474    2.8040    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6356    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    3.5037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5472    1.5920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1479    4.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    0.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    2.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829    3.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    1.4045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829    4.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9227    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7065    5.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9227    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,633)
1633

>  <Formula> (1,633)
C13H12N2O3S

>  <MolWeight> (1,633)
276.31098

>  <Item Name> (1,633)
Sulfabenzamide

>  <Catalog Number> (1,633)
S4576

>  <Synonyms> (1,633)
Sultrin, N-Sulfanilylbenzamide

>  <Target> (1,633)
Antifection

>  <Form> (1,633)
Free Base

>  <URL> (1,633)
http://www.selleckchem.com/products/sulfabenzamide.html

>  <CAS Number> (1,633)
127-71-9

$$$$
Cefuroxime sodium.cdx
csChFnd80/10101813032D

 31 32  0  0  0  0  0  0  0  0999 V2000
    7.2743    6.0652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    6.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493    6.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493    4.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0626    3.9651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    4.6654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6742    4.6654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6738    6.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    8.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    8.8662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2640    8.8543    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6713    7.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6591    3.6805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0188    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3812    5.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0088    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6464    1.7146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2941    1.3523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9318    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4491    2.5482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3611    3.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8648    4.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2627    4.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6230    3.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6469    6.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    6.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  2  0  0  0  0
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 17 18  1  0  0  0  0
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 21 22  2  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
  6 31  1  6  0  0  0
M  END
>  <Mol_ID> (1,634)
1634

>  <Formula> (1,634)
C16H15N4NaO8S

>  <MolWeight> (1,634)
446.36707

>  <Item Name> (1,634)
Cefuroxime sodium

>  <Catalog Number> (1,634)
S4620

>  <Synonyms> (1,634)
N/A

>  <Target> (1,634)
Antifection

>  <Form> (1,634)
Sodium Salt

>  <URL> (1,634)
http://www.selleckchem.com/products/cefuroxime-sodium.html

>  <CAS Number> (1,634)
56238-63-2

$$$$
S4619 Itopride hydrochloride.cdx
csChFnd80/10101813032D

 27 27  0  0  0  0  0  0  0  0999 V2000
    4.8175    2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8175    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0050    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001    2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2430    2.1226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0050    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294    2.8048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4726    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1705    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9236    2.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
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  5  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,635)
1635

>  <Formula> (1,635)
C20H27ClN2O4

>  <MolWeight> (1,635)
394.89238

>  <Item Name> (1,635)
Itopride hydrochloride

>  <Catalog Number> (1,635)
S4619

>  <Synonyms> (1,635)
Ganaton, HSR803

>  <Target> (1,635)
AChR

>  <Form> (1,635)
hydrochloride

>  <URL> (1,635)
http://www.selleckchem.com/products/itopride-hydrochloride.html

>  <CAS Number> (1,635)
122892-31-3

$$$$
S4574 Piperazine.cdx
csChFnd80/10101813032D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,636)
1636

>  <Formula> (1,636)
C4H10N2

>  <MolWeight> (1,636)
86.1356

>  <Item Name> (1,636)
Piperazine

>  <Catalog Number> (1,636)
S4574

>  <Synonyms> (1,636)
1,4-Diazacyclohexane, Diethylenediamine, exahydropyrazine, Piperazidine

>  <Target> (1,636)
GABA Receptor

>  <Form> (1,636)
Free Base

>  <URL> (1,636)
http://www.selleckchem.com/products/piperazine.html

>  <CAS Number> (1,636)
110-85-0

$$$$
S4589 Amodiaquin (dihydrochloride dihydrate).cdx
csChFnd80/10101813032D

 29 27  0  0  0  0  0  0  0  0999 V2000
   12.1800    2.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3909    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1800    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9625    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3909    4.1763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6079    2.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9633    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3902    0.0037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7379    2.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6046    4.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6079    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7367    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8242    4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6046    6.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5238    0.0080    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.0427    4.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,637)
1637

>  <Formula> (1,637)
C20H28Cl3N3O3

>  <MolWeight> (1,637)
464.81362

>  <Item Name> (1,637)
Amodiaquin (dihydrochloride dihydrate)

>  <Catalog Number> (1,637)
S4589

>  <Synonyms> (1,637)
N/A

>  <Target> (1,637)
Transferase,Histone

>  <Form> (1,637)
dihydrochloride dihydrate

>  <URL> (1,637)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

>  <CAS Number> (1,637)
6398-98-7

$$$$
S4625 Alcaftadine.cdx
csChFnd80/10101813032D

 23 26  0  0  0  0  0  0  0  0999 V2000
    2.3905    6.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1118    7.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    5.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    5.5257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984    7.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269    6.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9377    6.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    4.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0110    8.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6535    1.3795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2438    7.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4898    8.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  9  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  6  4  1  0  0  0  0
 13  5  1  0  0  0  0
  6  5  2  0  0  0  0
 11  7  2  0  0  0  0
 19  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 12  9  1  0  0  0  0
 10 17  1  0  0  0  0
 20 10  1  0  0  0  0
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 21 11  1  0  0  0  0
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 17 15  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,638)
1638

>  <Formula> (1,638)
C19H21N3O

>  <MolWeight> (1,638)
307.38954

>  <Item Name> (1,638)
Alcaftadine

>  <Catalog Number> (1,638)
S4625

>  <Synonyms> (1,638)
Lastacaft, R89674, R 89674, R-89674

>  <Target> (1,638)
Histamine Receptor

>  <Form> (1,638)
Free Base

>  <URL> (1,638)
http://www.selleckchem.com/products/alcaftadine.html

>  <CAS Number> (1,638)
147084-10-4

$$$$
S4632 Hexachlorophene.cdx
csChFnd80/10101813032D

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    5.6676    5.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8344    2.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7574    5.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2676    4.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3683    1.8081    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1954    3.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  2  0  0  0  0
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 15 19  1  0  0  0  0
 15 17  1  0  0  0  0
  3 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,639)
1639

>  <Formula> (1,639)
C13H6Cl6O2

>  <MolWeight> (1,639)
406.90354

>  <Item Name> (1,639)
Hexachlorophene

>  <Catalog Number> (1,639)
S4632

>  <Synonyms> (1,639)
Hexachlorofen, Fostril, Nabac, pHisoHex

>  <Target> (1,639)
Potassium Channel

>  <Form> (1,639)
Free Base

>  <URL> (1,639)
http://www.selleckchem.com/products/hexachlorophene.html

>  <CAS Number> (1,639)
70-30-4

$$$$
S4630 Diazoxide.cdx
csChFnd80/10101813032D

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    3.6503    3.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503    2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681    4.0923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4358    4.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4358    1.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860    3.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179    3.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860    2.0171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1537    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6436    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179    2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3039    4.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3267    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,640)
1640

>  <Formula> (1,640)
C8H7ClN2O2S

>  <MolWeight> (1,640)
230.67138

>  <Item Name> (1,640)
Diazoxide

>  <Catalog Number> (1,640)
S4630

>  <Synonyms> (1,640)
Sch-6783, SRG-95213, Proglycem

>  <Target> (1,640)
Potassium Channel

>  <Form> (1,640)
Free Base

>  <URL> (1,640)
http://www.selleckchem.com/products/diazoxide.html

>  <CAS Number> (1,640)
364-98-7

$$$$
S4629 Chlorotrianisene.cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.0003    2.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3003    3.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4003    2.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3003    1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9907    4.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8840    3.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0957    1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9003    1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2936    6.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1754    4.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2008    2.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2200    2.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5955    2.4630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3085    3.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
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  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 11 17  2  0  0  0  0
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 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,641)
1641

>  <Formula> (1,641)
C23H21ClO3

>  <MolWeight> (1,641)
380.86404

>  <Item Name> (1,641)
Chlorotrianisene

>  <Catalog Number> (1,641)
S4629

>  <Synonyms> (1,641)
tri-p-anisylchloroethylene, tris(p-methoxyphenyl)chloroethylene, TACE, CTA

>  <Target> (1,641)
Estrogen/progestogen Receptor

>  <Form> (1,641)
Free Base

>  <URL> (1,641)
http://www.selleckchem.com/products/chlorotrianisene.html

>  <CAS Number> (1,641)
569-57-3

$$$$
S4628 (+-)-Sulfinpyrazone.cdx
csChFnd80/10101813032D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.5391    4.9992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8850    3.7785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9262    5.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5812    6.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4993    2.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4981    4.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4545    6.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7823    4.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    5.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8305    7.3867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8936    2.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7201    1.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5081    3.0467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8486    6.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1776    4.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7192    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
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  6 13  2  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
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 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,642)
1642

>  <Formula> (1,642)
C23H20N2O3S

>  <MolWeight> (1,642)
404.4815

>  <Item Name> (1,642)
(+/-)-Sulfinpyrazone

>  <Catalog Number> (1,642)
S4628

>  <Synonyms> (1,642)
G-28315, NSC 75925

>  <Target> (1,642)
COX

>  <Form> (1,642)
Free Base

>  <URL> (1,642)
http://www.selleckchem.com/products/sulfinpyrazone.html

>  <CAS Number> (1,642)
57-96-5

$$$$
S4626 ETHOSUXIMIDE.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.1838    2.1437    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6200    0.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8050    2.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6  8  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,643)
1643

>  <Formula> (1,643)
C7H11NO2

>  <MolWeight> (1,643)
141.16774

>  <Item Name> (1,643)
Ethosuximide

>  <Catalog Number> (1,643)
S4626

>  <Synonyms> (1,643)
N/A

>  <Target> (1,643)
Calcium Channel

>  <Form> (1,643)
Free Base

>  <URL> (1,643)
http://www.selleckchem.com/products/ethosuximide.html

>  <CAS Number> (1,643)
77-67-8

$$$$
S4618 Fenoldopam (mesylate).cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.6362    6.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7484    5.4602    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0906    5.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7091    7.0224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061    8.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7571    8.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6484    7.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    8.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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  1 11  2  0  0  0  0
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M  END
>  <Mol_ID> (1,644)
1644

>  <Formula> (1,644)
C17H20ClNO6S

>  <MolWeight> (1,644)
401.8618

>  <Item Name> (1,644)
Fenoldopam (mesylate)

>  <Catalog Number> (1,644)
S4618

>  <Synonyms> (1,644)
SKF 82526 (mesylate), Fenoldopam methanesulfonate, Corlopam mesylate

>  <Target> (1,644)
Dopamine Receptor

>  <Form> (1,644)
mesylate

>  <URL> (1,644)
http://www.selleckchem.com/products/fenoldopam-mesylate.html

>  <CAS Number> (1,644)
67227-57-0

$$$$
S4617 Dextromethorphan hydrobromide hydrate.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
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    5.6000    3.7987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2000    3.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.0112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    5.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6000    6.2236    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,645)
1645

>  <Formula> (1,645)
C18H28BrNO2

>  <MolWeight> (1,645)
370.32442

>  <Item Name> (1,645)
Dextromethorphan (hydrobromide hydrate)

>  <Catalog Number> (1,645)
S4617

>  <Synonyms> (1,645)
Dextromethorphan hydrobromide monohydrate

>  <Target> (1,645)
AChR

>  <Form> (1,645)
hydrobromide

>  <URL> (1,645)
http://www.selleckchem.com/products/dextromethorphan-hydrobromide-hydrate.html

>  <CAS Number> (1,645)
6700-34-1

$$$$
S4639 Brexpiprazole.cdx
csChFnd80/10101813032D

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   14.3619    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,646)
1646

>  <Formula> (1,646)
C25H27N3O2S

>  <MolWeight> (1,646)
433.56578

>  <Item Name> (1,646)
Brexpiprazole

>  <Catalog Number> (1,646)
S4639

>  <Synonyms> (1,646)
OPC-34712, OPC 34712, OPC34712

>  <Target> (1,646)
Dopamine Receptor

>  <Form> (1,646)
Free Base

>  <URL> (1,646)
http://www.selleckchem.com/products/brexpiprazole.html

>  <CAS Number> (1,646)
913611-97-9

$$$$
S4640 Lesinurad.cdx
csChFnd80/10101813032D

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  5  8  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,647)
1647

>  <Formula> (1,647)
C17H14BrN3O2S

>  <MolWeight> (1,647)
404.28096

>  <Item Name> (1,647)
Lesinurad

>  <Catalog Number> (1,647)
S4640

>  <Synonyms> (1,647)
RDEA 594, RDEA-594, RDEA594

>  <Target> (1,647)
Others

>  <Form> (1,647)
Free Base

>  <URL> (1,647)
http://www.selleckchem.com/products/lesinurad.html

>  <CAS Number> (1,647)
878672-00-5

$$$$
S4635 Cyproheptadine hydrochloride.cdx
csChFnd80/10101813032D

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A   23
?1.5H2O?
M  END
>  <Mol_ID> (1,648)
1648

>  <Formula> (1,648)
C21H22ClNR

>  <MolWeight> (1,648)
323.85908

>  <Item Name> (1,648)
Cyproheptadine hydrochloride

>  <Catalog Number> (1,648)
S4635

>  <Synonyms> (1,648)
Periactin hydrochloride, Peritol

>  <Target> (1,648)
5-HT Receptor

>  <Form> (1,648)
Hydrochloride Sesquihydrate

>  <URL> (1,648)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride.html

>  <CAS Number> (1,648)
41354-29-4

$$$$
S4612 Dapson.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,649)
1649

>  <Formula> (1,649)
C12H12N2O2S

>  <MolWeight> (1,649)
248.30088

>  <Item Name> (1,649)
Dapson

>  <Catalog Number> (1,649)
S4612

>  <Synonyms> (1,649)
Dapsone, 4,4¡ä-Diaminodiphenyl sulfone, 4,4¡ä-Sulfonyldianiline, 4-Aminophenyl sulfone, Bis sulfone, 

>  <Target> (1,649)
Antifection

>  <Form> (1,649)
Free Base

>  <URL> (1,649)
http://www.selleckchem.com/products/dapson.html

>  <CAS Number> (1,649)
80-08-0

$$$$
S4610 Mebendazole.cdx
csChFnd80/10101813032D

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    4.8716    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4104    1.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8104    1.3697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    4.2650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5093    2.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045    2.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9104    2.5803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8098    3.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    0.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6101    3.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,650)
1650

>  <Formula> (1,650)
C16H13N3O3

>  <MolWeight> (1,650)
295.29272

>  <Item Name> (1,650)
Mebendazole

>  <Catalog Number> (1,650)
S4610

>  <Synonyms> (1,650)
Vermox, Telmin, Pantelmin, Mebenvet

>  <Target> (1,650)
Antifection

>  <Form> (1,650)
Free Base

>  <URL> (1,650)
http://www.selleckchem.com/products/mebendazole.html

>  <CAS Number> (1,650)
31431-39-7

$$$$
S4604 Levofloxacin hydrate.cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    7.1805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    8.3929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2000    9.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    8.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    7.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.7556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    4.7556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.3307    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.5432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 18  1  0  0  0  0
 11 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  2  0  0  0  0
 22 25  1  0  0  0  0
  5 25  1  0  0  0  0
 10 25  2  0  0  0  0
  2 26  1  0  0  0  0
A   27
0.5H2O
M  END
>  <Mol_ID> (1,651)
1651

>  <Formula> (1,651)
C18H20FN3O4R

>  <MolWeight> (1,651)
361.3675032

>  <Item Name> (1,651)
Levofloxacin hydrate

>  <Catalog Number> (1,651)
S4604

>  <Synonyms> (1,651)
Levofloxacin hemihydrate, Levaquin hydrate, Tavanic hydrate, Quixin hydrate, Iquix hydrate, 

>  <Target> (1,651)
Topoisomerase

>  <Form> (1,651)
hydrate

>  <URL> (1,651)
http://www.selleckchem.com/products/levofloxacin-hydrate.html

>  <CAS Number> (1,651)
138199-71-0

$$$$
S4603 Gallic acid.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,652)
1652

>  <Formula> (1,652)
C7H6O5

>  <MolWeight> (1,652)
170.11954

>  <Item Name> (1,652)
Gallic acid

>  <Catalog Number> (1,652)
S4603

>  <Synonyms> (1,652)
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid

>  <Target> (1,652)
ROS

>  <Form> (1,652)
Free Base

>  <URL> (1,652)
http://www.selleckchem.com/products/gallic-acid.html

>  <CAS Number> (1,652)
149-91-7

$$$$
S4609 Diflunisal.cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,653)
1653

>  <Formula> (1,653)
C13H8F2O3

>  <MolWeight> (1,653)
250.1976264

>  <Item Name> (1,653)
Diflunisal

>  <Catalog Number> (1,653)
S4609

>  <Synonyms> (1,653)
Dolobid, Dolobis, Flovacil, Fluniget

>  <Target> (1,653)
COX

>  <Form> (1,653)
Free Base

>  <URL> (1,653)
http://www.selleckchem.com/products/diflunisal.html

>  <CAS Number> (1,653)
22494-42-4

$$$$
S4638 Desogestrel.cdx
csChFnd80/10101813032D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.0611    4.1866    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0611    2.8075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4034    4.5918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7964    4.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611    5.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    2.1117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4034    2.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1768    3.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4034    5.9587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219    4.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824    6.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219    2.8075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8415    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3163    4.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4433    2.1117    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6219    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4433    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    2.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611    1.3627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    3.2126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219    1.5879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    3.2740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7395    5.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0738    5.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 22  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 23  1  1  0  0  0
  7  8  1  0  0  0  0
 10 14  2  0  0  0  0
 10 12  1  0  0  0  0
 12 15  1  0  0  0  0
 12 24  1  6  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 25  1  1  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
  3 26  1  6  0  0  0
 26 27  3  0  0  0  0
M  END
>  <Mol_ID> (1,654)
1654

>  <Formula> (1,654)
C22H30O

>  <MolWeight> (1,654)
310.473

>  <Item Name> (1,654)
Desogestrel

>  <Catalog Number> (1,654)
S4638

>  <Synonyms> (1,654)
Cerazette, Desogen, Desogestrelum, Org-2969

>  <Target> (1,654)
Estrogen/progestogen Receptor

>  <Form> (1,654)
Free Base

>  <URL> (1,654)
http://www.selleckchem.com/products/desogestrel.html

>  <CAS Number> (1,654)
54024-22-5

$$$$
S4633 Isosorbide Mononitrate.cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.1582    3.3601    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1582    4.7831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4956    2.9399    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8155    2.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8290    5.2065    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5003    5.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3214    4.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9332    1.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3965    6.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3017    1.3276    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.2901    2.3160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7393    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1582    1.9623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1582    6.1809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 14  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  6  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,655)
1655

>  <Formula> (1,655)
C6H9NO6

>  <MolWeight> (1,655)
191.13876

>  <Item Name> (1,655)
Isosorbide Mononitrate

>  <Catalog Number> (1,655)
S4633

>  <Synonyms> (1,655)
Isosorbide-5-mononitrate, Elantan, Monoket, Mononit, Imdur, Corangin

>  <Target> (1,655)
Others

>  <Form> (1,655)
Free Base

>  <URL> (1,655)
http://www.selleckchem.com/products/isosorbide-mononitrate.html

>  <CAS Number> (1,655)
16051-77-7

$$$$
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csChFnd80/10101813032D

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C19H18N2O4S

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Parecoxib

>  <Catalog Number> (1,656)
S4656

>  <Synonyms> (1,656)
SC-69124, Valus-P, Vorth-P

>  <Target> (1,656)
COX

>  <Form> (1,656)
Free Base

>  <URL> (1,656)
http://www.selleckchem.com/products/parecoxib.html

>  <CAS Number> (1,656)
198470-84-7

$$$$
S4652 Sulisobenzone.cdx
csChFnd80/10101813032D

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1657

>  <Formula> (1,657)
C14H12O6S

>  <MolWeight> (1,657)
308.30648

>  <Item Name> (1,657)
Sulisobenzone

>  <Catalog Number> (1,657)
S4652

>  <Synonyms> (1,657)
Benzophenone-4, Sungard

>  <Target> (1,657)
Others

>  <Form> (1,657)
Free Base

>  <URL> (1,657)
http://www.selleckchem.com/products/sulisobenzone.html

>  <CAS Number> (1,657)
4065-45-6

$$$$
S4647 Cefmenoxime hydrochloride.cdx
csChFnd80/10101813032D

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>  <Synonyms> (1,658)
Cefmenoxime hemihydrochloride, SCE-1365 hemihydrochloride

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>  <Form> (1,658)
hydrochloride

>  <URL> (1,658)
http://www.selleckchem.com/products/cefmenoxime-hydrochloride.html

>  <CAS Number> (1,658)
75738-58-8

$$$$
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csChFnd80/10101813032D

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    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6669    0.0281    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  7  1  0  0  0  0
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  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
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 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,659)
1659

>  <Formula> (1,659)
C20H37NaO7S

>  <MolWeight> (1,659)
444.55835

>  <Item Name> (1,659)
Docusate Sodium

>  <Catalog Number> (1,659)
S4588

>  <Synonyms> (1,659)
Aerosol OT, Bis(2-ethylhexyl) sulfosuccinate sodium salt, Constonate

>  <Target> (1,659)
Opioid Receptor

>  <Form> (1,659)
sodium salt

>  <URL> (1,659)
http://www.selleckchem.com/products/docusate-sodium.html

>  <CAS Number> (1,659)
577-11-7

$$$$
S4657 Eslicarbazepine Acetate.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.9398    2.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1872    2.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5165    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5938    5.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399    6.4971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2413    6.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058    0.0555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6580    7.8845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2001    1.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  2  1  0  0  0  0
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 15  3  1  0  0  0  0
 11  4  2  0  0  0  0
 13  4  1  0  0  0  0
  5  9  1  1  0  0  0
  8  5  1  0  0  0  0
  7  6  2  0  0  0  0
 16  6  1  0  0  0  0
  8  7  1  0  0  0  0
 17  7  1  0  0  0  0
 10  9  1  0  0  0  0
 12 10  2  0  0  0  0
 18 10  1  0  0  0  0
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 17 22  2  0  0  0  0
 20 19  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,660)
1660

>  <Formula> (1,660)
C17H16N2O3

>  <MolWeight> (1,660)
296.32054

>  <Item Name> (1,660)
Eslicarbazepine Acetate

>  <Catalog Number> (1,660)
S4657

>  <Synonyms> (1,660)
BIA 2093, Zebinix, Exalief, Stedesa, Aptiom

>  <Target> (1,660)
Others

>  <Form> (1,660)
Free Base

>  <URL> (1,660)
http://www.selleckchem.com/products/eslicarbazepine-acetate.html

>  <CAS Number> (1,660)
236395-14-5

$$$$
S4650 Atipamezole.cdx
csChFnd80/10101813032D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.6235    2.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6617    1.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8040    3.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8040    1.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6135    3.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0335    2.2293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419    3.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3234    5.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8114    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7421    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,661)
1661

>  <Formula> (1,661)
C14H16N2

>  <MolWeight> (1,661)
212.29024

>  <Item Name> (1,661)
Atipamezole

>  <Catalog Number> (1,661)
S4650

>  <Synonyms> (1,661)
MPV-1248, MPV1248, MPV 1248, Antisedan

>  <Target> (1,661)
Adrenergic Receptor

>  <Form> (1,661)
Free Base

>  <URL> (1,661)
http://www.selleckchem.com/products/atipamezole.html

>  <CAS Number> (1,661)
104054-27-5

$$$$
S4649 Atipamezole hydrochloride.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.5879    3.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8496    3.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0785    3.8468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    4.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7686    2.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4579    3.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4579    4.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5046    1.6348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0945    2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
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 10  2  2  0  0  0  0
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  7  4  1  0  0  0  0
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 13  6  1  0  0  0  0
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 14 11  1  0  0  0  0
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 16 13  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,662)
1662

>  <Formula> (1,662)
C14H17ClN2

>  <MolWeight> (1,662)
248.75118

>  <Item Name> (1,662)
Atipamezole hydrochloride

>  <Catalog Number> (1,662)
S4649

>  <Synonyms> (1,662)
Antisedan, MPV-1248 hydrochloride, MPV1248 hydrochloride, MPV 1248 hydrochloride

>  <Target> (1,662)
Adrenergic Receptor

>  <Form> (1,662)
hydrochloride

>  <URL> (1,662)
http://www.selleckchem.com/products/atipamezole-hydrochloride.html

>  <CAS Number> (1,662)
104075-48-1

$$$$
S4624 Methylbenactyzine Bromide.cdx
csChFnd80/10101813032D

 26 26  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5373    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.5373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  1  5  1  0  0  0  0
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  3  8  2  0  0  0  0
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  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
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 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
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 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,663)
1663

>  <Formula> (1,663)
C21H28BrNO3

>  <MolWeight> (1,663)
422.35592

>  <Item Name> (1,663)
Methylbenactyzine Bromide

>  <Catalog Number> (1,663)
S4623

>  <Synonyms> (1,663)
Gastrimade, Noinarin, Paragone, Semulgin

>  <Target> (1,663)
AChR

>  <Form> (1,663)
bromide 

>  <URL> (1,663)
http://selleckchem.com/products/methylbenactyzine-bromide.html

>  <CAS Number> (1,663)
3166-62-9

$$$$
S4641 Tedizolid Phosphate.cdx
csChFnd80/10101813032D

 31 34  0  0  0  0  0  0  0  0999 V2000
   15.2414    3.4663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9099    3.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0871    2.7663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4773    5.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3740    1.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6530    1.8128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6871    2.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,664)
1664

>  <Formula> (1,664)
C17H16FN6O6P

>  <MolWeight> (1,664)
450.3177042

>  <Item Name> (1,664)
Tedizolid Phosphate

>  <Catalog Number> (1,664)
S4641

>  <Synonyms> (1,664)
TR-701FA

>  <Target> (1,664)
Antifection

>  <Form> (1,664)
Free Base

>  <URL> (1,664)
http://www.selleckchem.com/products/tedizolid-phosphate.html

>  <CAS Number> (1,664)
856867-55-5

$$$$
S4634 SULFADIAZINE SODIUM.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,665)
1665

>  <Formula> (1,665)
C10H9N4NaO2S

>  <MolWeight> (1,665)
272.25883

>  <Item Name> (1,665)
Sodium sulfadiazine

>  <Catalog Number> (1,665)
S4634

>  <Synonyms> (1,665)
Sulfadiazin-natrium

>  <Target> (1,665)
Antifection

>  <Form> (1,665)
Sodium salt

>  <URL> (1,665)
http://www.selleckchem.com/products/sodium-sulfadiazine.html

>  <CAS Number> (1,665)
547-32-0

$$$$
S4602 Acetohydroxamic acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,666)
1666

>  <Formula> (1,666)
C2H5NO2

>  <MolWeight> (1,666)
75.0666

>  <Item Name> (1,666)
Acetohydroxamic acid

>  <Catalog Number> (1,666)
S4602

>  <Synonyms> (1,666)
N-Hydroxyacetamide, Methylhydroxamic acid, Acetic acid|oxime, Lithostat

>  <Target> (1,666)
Antifection

>  <Form> (1,666)
Free Base

>  <URL> (1,666)
http://www.selleckchem.com/products/acetohydroxamic-acid.html

>  <CAS Number> (1,666)
546-88-3

$$$$
Triclosan.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,667)
1667

>  <Formula> (1,667)
C12H7Cl3O2

>  <MolWeight> (1,667)
289.54178

>  <Item Name> (1,667)
Triclosan

>  <Catalog Number> (1,667)
S4541

>  <Synonyms> (1,667)
Irgasan, Cloxifenolum

>  <Target> (1,667)
Antifection

>  <Form> (1,667)
Free Base

>  <URL> (1,667)
http://www.selleckchem.com/products/triclosan.html

>  <CAS Number> (1,667)
3380-34-5

$$$$
S4562 Dehydrocholic acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,668)
1668

>  <Formula> (1,668)
C24H34O5

>  <MolWeight> (1,668)
402.52376

>  <Item Name> (1,668)
Dehydrocholic acid

>  <Catalog Number> (1,668)
S4562

>  <Synonyms> (1,668)
Decholin, Dehystolin, Felacrinos, Sanocholen

>  <Target> (1,668)
Others

>  <Form> (1,668)
Free Base

>  <URL> (1,668)
http://www.selleckchem.com/products/dehydrocholic-acid.html

>  <CAS Number> (1,668)
81-23-2

$$$$
S4550 Azelaic acid.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,669)
1669

>  <Formula> (1,669)
C9H16O4

>  <MolWeight> (1,669)
188.22094

>  <Item Name> (1,669)
Azelaic acid

>  <Catalog Number> (1,669)
S4550

>  <Synonyms> (1,669)
Nonanedioic acid, Finacea, Azelex, Anchoic acid

>  <Target> (1,669)
Antifection

>  <Form> (1,669)
Free Base

>  <URL> (1,669)
http://www.selleckchem.com/products/azelaic-acid.html

>  <CAS Number> (1,669)
123-99-9

$$$$
S4607 2,2¡ä-Dihydroxy-4-methoxybenzophenone.cdx
csChFnd80/10101813032D

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  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
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 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,670)
1670

>  <Formula> (1,670)
C14H12O4

>  <MolWeight> (1,670)
244.24268

>  <Item Name> (1,670)
2,2¡ä-Dihydroxy-4-methoxybenzophenone

>  <Catalog Number> (1,670)
S4607

>  <Synonyms> (1,670)
Dioxybenzone, Dioxybenzon, Advastab 47, Cyasorb UV 24, Benzophenone-8

>  <Target> (1,670)
Others

>  <Form> (1,670)
Free Base

>  <URL> (1,670)
http://www.selleckchem.com/products/2-2-dihydroxy-4-methoxybenzophenone.html

>  <CAS Number> (1,670)
131-53-3

$$$$
S4679 Terazosin.cdx
csChFnd80/10101813032D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.6413    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413    3.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4313    1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4313    4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2156    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727    2.1275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    0.0516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727    3.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2156    3.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  2  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,671)
1671

>  <Formula> (1,671)
C19H26ClN5O4

>  <MolWeight> (1,671)
423.89384

>  <Item Name> (1,671)
Terazosin HCl 

>  <Catalog Number> (1,671)
S4679

>  <Synonyms> (1,671)
Terazosin, Hytrin, Zayasel, Terazosine, Flumarc, Fosfomic, Blavin

>  <Target> (1,671)
Adrenergic Receptor

>  <Form> (1,671)
hydrochloride

>  <URL> (1,671)
http://www.selleckchem.com/products/terazosin.html

>  <CAS Number> (1,671)
63074-08-8

$$$$
S4674 Hydroxyprogesterone caproate.cdx
csChFnd80/10101813032D

 34 37  0  0  0  0  0  0  0  0999 V2000
    8.7188    4.5849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3847    4.1965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5081    3.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7022    5.6309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1381    4.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7188    2.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0801    5.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0153    6.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6891    2.0733    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.2661    2.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
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  3  9  1  0  0  0  0
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  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 32  1  6  0  0  0
  7 14  1  0  0  0  0
 10 15  1  0  0  0  0
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 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
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 20 24  1  0  0  0  0
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 23 27  2  0  0  0  0
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 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 30  1  0  0  0  0
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M  END
>  <Mol_ID> (1,672)
1672

>  <Formula> (1,672)
C27H40O4

>  <MolWeight> (1,672)
428.6041

>  <Item Name> (1,672)
Hydroxyprogesterone caproate

>  <Catalog Number> (1,672)
S4674

>  <Synonyms> (1,672)
17¦Á-Hydroxyprogesterone hexanoate, 17¦Á-Hydroxyprogesterone caproate

>  <Target> (1,672)
Estrogen/progestogen Receptor

>  <Form> (1,672)
Free Base

>  <URL> (1,672)
http://www.selleckchem.com/products/hydroxyprogesterone-caproate.html

>  <CAS Number> (1,672)
630-56-8

$$$$
S4683 Sildenafil Mesylate.cdx
csChFnd80/10101813032D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,673)
1673

>  <Formula> (1,673)
C23H34N6O7S2

>  <MolWeight> (1,673)
570.68206

>  <Item Name> (1,673)
Sildenafil Mesylate

>  <Catalog Number> (1,673)
S4683

>  <Synonyms> (1,673)
N/A

>  <Target> (1,673)
PDE

>  <Form> (1,673)
Mesylate

>  <URL> (1,673)
http://www.selleckchem.com/products/sildenafil-mesylate.html

>  <CAS Number> (1,673)
1308285-21-3

$$$$
S4693 Guanfacine Hydrochloride.cdx
csChFnd80/10101813032D

 16 15  0  0  0  0  0  0  0  0999 V2000
    2.4233    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,674)
1674

>  <Formula> (1,674)
C9H10Cl3N3O

>  <MolWeight> (1,674)
282.5542

>  <Item Name> (1,674)
Guanfacine Hydrochloride

>  <Catalog Number> (1,674)
S4693

>  <Synonyms> (1,674)
Guanfacine Hydrochloride, Guanfacine, Tenex, Intuniv

>  <Target> (1,674)
5-HT Receptor

>  <Form> (1,674)
hydrochloride

>  <URL> (1,674)
http://www.selleckchem.com/products/guanfacine-hydrochloride.html

>  <CAS Number> (1,674)
29110-48-3

$$$$
S4691 Oxybenzone.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.8805    3.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    4.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    4.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8851    2.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    3.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    5.5685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3146    3.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    5.5802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1030    1.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    4.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    2.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3299    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213    1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5423    1.3967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0095    2.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5423    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,675)
1675

>  <Formula> (1,675)
C14H12O3

>  <MolWeight> (1,675)
228.24328

>  <Item Name> (1,675)
Oxybenzone

>  <Catalog Number> (1,675)
S4691

>  <Synonyms> (1,675)
Oxybenzone, Eusolex 4360, Escalol 567, KAHSCREEN BZ-3, Benzophenone 3

>  <Target> (1,675)
Others

>  <Form> (1,675)
Free Base

>  <URL> (1,675)
http://www.selleckchem.com/products/oxybenzone.html

>  <CAS Number> (1,675)
131-57-7

$$$$
S4666 Sivelestat sodium.cdx
csChFnd80/10101813032D

 35 31  0  0  0  0  0  0  0  0999 V2000
   15.2799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9799    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9799    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1799    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1799    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3799    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2799    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2799    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7799    3.6373    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8799    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3799    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7799    2.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7799    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6799    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.1799    3.6373    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2799    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1799    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4740    3.5762    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.3823    1.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3823    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5833   28.2463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611   28.2463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   18.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   18.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
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 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,676)
1676

>  <Formula> (1,676)
C20H29N2NaO11S

>  <MolWeight> (1,676)
528.50583

>  <Item Name> (1,676)
Sivelestat sodium tetrahydrate

>  <Catalog Number> (1,676)
S4666

>  <Synonyms> (1,676)
Sivelestat sodium, ONO5046-Na, Sodium sivelestat, EI546 sodium, LY544349 sodium

>  <Target> (1,676)
Serine Protease

>  <Form> (1,676)
Sodium salt tetrahydrate

>  <URL> (1,676)
http://www.selleckchem.com/products/sivelestat-sodium.html

>  <CAS Number> (1,676)
201677-61-4

$$$$
S4664 Molsidomine.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.2567    1.9958    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.5789    2.4561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1291    2.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375    0.6270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8477    3.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6312    1.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0096    1.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4387    0.6205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1713    4.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9537    1.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6737    2.3475    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   12.2258    3.3696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6922    1.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3369    1.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0659    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3553    0.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,677)
1677

>  <Formula> (1,677)
C9H14N4O4

>  <MolWeight> (1,677)
242.23186

>  <Item Name> (1,677)
Molsidomine

>  <Catalog Number> (1,677)
S4664

>  <Synonyms> (1,677)
SIN-10, Corvaton, Morsydomine

>  <Target> (1,677)
Others

>  <Form> (1,677)
inner salt

>  <URL> (1,677)
http://www.selleckchem.com/products/molsidomine.html

>  <CAS Number> (1,677)
25717-80-0

$$$$
S4661 Tiagabine (hydrochloride).cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.4345    4.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6469    4.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2220    4.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4345    2.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7912    6.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9489    4.3952    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0859    6.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9370    4.3941    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6469    2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1567    6.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7449    7.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8722    5.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6998    6.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332    7.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8593    2.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0718    2.1744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3115    2.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0720    0.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 13 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  6  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,678)
1678

>  <Formula> (1,678)
C20H26ClNO2S2

>  <MolWeight> (1,678)
412.00894

>  <Item Name> (1,678)
Tiagabine hydrochloride

>  <Catalog Number> (1,678)
S4661

>  <Synonyms> (1,678)
Gabitril hydrochloride, NO050328 hydrochloride, NO328 hydrochloride, TGB hydrochloride

>  <Target> (1,678)
GABA Receptor

>  <Form> (1,678)
hydrochloride

>  <URL> (1,678)
http://www.selleckchem.com/products/tiagabine-hydrochloride.html

>  <CAS Number> (1,678)
145821-59-6

$$$$
S4660 Glycopyrrolate.cdx
csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.4438    3.7042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6562    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1438    2.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2313    3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7438    4.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8123    5.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9135    3.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5437    2.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4438    1.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0189    3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2313    1.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1825    6.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8969    4.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2480    1.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1395    0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8065    3.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5416    0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5492    3.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2802    1.3322    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5658    2.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5199    4.9961    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
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 12 13  1  0  0  0  0
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 15 17  2  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,679)
1679

>  <Formula> (1,679)
C19H28BrNO3

>  <MolWeight> (1,679)
398.33452

>  <Item Name> (1,679)
Glycopyrrolate

>  <Catalog Number> (1,679)
S4660

>  <Synonyms> (1,679)
Glycopyrrolate bromide, Glycopyrronium bromide, Robinul, Gastrodyn

>  <Target> (1,679)
AChR

>  <Form> (1,679)
bromide

>  <URL> (1,679)
http://www.selleckchem.com/products/glycopyrrolate.html

>  <CAS Number> (1,679)
596-51-0

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8488    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0616    4.1954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7834   10.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 23  1  1  0  0  0
 23 25  1  0  0  0  0
 10 26  1  6  0  0  0
M  END
>  <Mol_ID> (1,680)
1680

>  <Formula> (1,680)
C20H26N2O2

>  <MolWeight> (1,680)
326.43264

>  <Item Name> (1,680)
Hydroquinidine

>  <Catalog Number> (1,680)
S4658

>  <Synonyms> (1,680)
Dihydroquinidine, Hydroconchinine, Hydroconquinine, Dihydroquinine

>  <Target> (1,680)
Others

>  <Form> (1,680)
Free Base

>  <URL> (1,680)
http://www.selleckchem.com/products/hydroquinidine.html

>  <CAS Number> (1,680)
1435-55-8

$$$$
S4655 Sulpiride.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 22  1  0  0  0  0
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M  END
>  <Mol_ID> (1,681)
1681

>  <Formula> (1,681)
C15H23N3O4S

>  <MolWeight> (1,681)
341.42582

>  <Item Name> (1,681)
Sulpiride

>  <Catalog Number> (1,681)
S4655

>  <Synonyms> (1,681)
Dolmatil, Dobren, Sulpyrid, Aiglonyl, Dogmatil

>  <Target> (1,681)
Dopamine Receptor

>  <Form> (1,681)
Free Base

>  <URL> (1,681)
http://www.selleckchem.com/products/sulpiride.html

>  <CAS Number> (1,681)
15676-16-1

$$$$
S4651 Etoricoxib.cdx
csChFnd80/10101813032D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4871    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 21  1  1  0  0  0  0
  2  4  1  0  0  0  0
  3  2  2  0  0  0  0
  5  2  1  0  0  0  0
 18  3  1  0  0  0  0
  4  8  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 15  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
  7 12  1  0  0  0  0
 19  7  2  0  0  0  0
  8 16  1  0  0  0  0
 17  8  2  0  0  0  0
 20 11  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 22 15  2  0  0  0  0
 20 18  2  0  0  0  0
 24 19  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,682)
1682

>  <Formula> (1,682)
C18H15ClN2O2S

>  <MolWeight> (1,682)
358.8419

>  <Item Name> (1,682)
Etoricoxib

>  <Catalog Number> (1,682)
S4651

>  <Synonyms> (1,682)
Arcoxia, MK-663, MK-0663, Tauxib, Algix, Nucoxia

>  <Target> (1,682)
COX

>  <Form> (1,682)
Free  Base

>  <URL> (1,682)
http://www.selleckchem.com/products/etoricoxib.html

>  <CAS Number> (1,682)
202409-33-4

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8488    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0616    4.1954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
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  5 10  1  0  0  0  0
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  9 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
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 20 24  1  6  0  0  0
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 23 25  1  0  0  0  0
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M  END
>  <Mol_ID> (1,683)
1683

>  <Formula> (1,683)
C20H26N2O2

>  <MolWeight> (1,683)
326.43264

>  <Item Name> (1,683)
Dantrolene sodium hemiheptahydrate

>  <Catalog Number> (1,683)
S4648

>  <Synonyms> (1,683)
Dantrolene sodium salt, Dantrium, Sodium dantrolene

>  <Target> (1,683)
Calcium Channel

>  <Form> (1,683)
Sodium salt hemiheptahydrate

>  <URL> (1,683)
http://www.selleckchem.com/products/dantrolene-sodium.html

>  <CAS Number> (1,683)
24868-20-0

$$$$
S4646 Ciclesonide.cdx
csChFnd80/10101813032D

 43 48  0  0  0  0  0  0  0  0999 V2000
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C32H44O7

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Ciclesonide

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S4646

>  <Synonyms> (1,684)
Ciclesonide, Alvesco, Omnaris, RPR251526, Zetonna

>  <Target> (1,684)
Others

>  <Form> (1,684)
Free Base

>  <URL> (1,684)
http://www.selleckchem.com/products/ciclesonide.html

>  <CAS Number> (1,684)
126544-47-6

$$$$
S4637 Prasugrel Hydrochloride.cdx
csChFnd80/10101813032D

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1685

>  <Formula> (1,685)
C20H21ClFNO3S

>  <MolWeight> (1,685)
409.9020432

>  <Item Name> (1,685)
Prasugrel Hydrochloride

>  <Catalog Number> (1,685)
S4637

>  <Synonyms> (1,685)
Prasugrel HCl, LY 640315

>  <Target> (1,685)
P2 Receptor

>  <Form> (1,685)
hydrochloride

>  <URL> (1,685)
http://www.selleckchem.com/products/prasugrel-hydrochloride.html

>  <CAS Number> (1,685)
389574-19-0

$$$$
s4515 Ademetionine Ademetionine disulfate tosylate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,686)
1686

>  <Formula> (1,686)
C22H34N6O16S4

>  <MolWeight> (1,686)
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>  <Item Name> (1,686)
Ademetionine disulfate tosylate 

>  <Catalog Number> (1,686)
S4515

>  <Synonyms> (1,686)
N/A

>  <Target> (1,686)
Others

>  <Form> (1,686)
Disulfate tosylate

>  <URL> (1,686)
http://www.selleckchem.com/products/ademetionine-disulfate-tosylate.html

>  <CAS Number> (1,686)
97540-22-2

$$$$
S4682 Loxoprofen.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,687)
1687

>  <Formula> (1,687)
C15H18O3

>  <MolWeight> (1,687)
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>  <Item Name> (1,687)
Loxoprofen

>  <Catalog Number> (1,687)
S4682

>  <Synonyms> (1,687)
Koloxo, Loxoprofene, Loxoprofeno

>  <Target> (1,687)
COX

>  <Form> (1,687)
Free Base

>  <URL> (1,687)
http://www.selleckchem.com/products/loxoprofen.html

>  <CAS Number> (1,687)
68767-14-6

$$$$
S4680 Protirelin.cdx
csChFnd80/10101813032D

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    3.6081    3.5544    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8205    5.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9736    8.0378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6736    6.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    2.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.1238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    1.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 18 15  1  6  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 20 21  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,688)
1688

>  <Formula> (1,688)
C16H22N6O4

>  <MolWeight> (1,688)
362.38368

>  <Item Name> (1,688)
Protirelin

>  <Catalog Number> (1,688)
S4680

>  <Synonyms> (1,688)
Thyroliberin, Lopremone, Synthetic TRH, Thyrotropin-releasing hormone, Rifathyroin

>  <Target> (1,688)
Others

>  <Form> (1,688)
Free Base

>  <URL> (1,688)
http://www.selleckchem.com/products/protirelin.html

>  <CAS Number> (1,688)
24305-27-9

$$$$
S4665 Rebeprazole sodium.cdx
csChFnd80/10101813032D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.6359    5.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7622    2.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1604    3.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7963    4.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0340    5.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504    2.0822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4027    2.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793    4.1009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6485    2.0984    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    6.8568    2.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6485    0.7032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0651    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0651    0.7006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2791    2.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2791    4.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6999    2.7984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9093    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1171    2.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3257    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5339    2.7973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7423    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350    0.7037    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,689)
1689

>  <Formula> (1,689)
C18H20N3NaO3S

>  <MolWeight> (1,689)
381.42447

>  <Item Name> (1,689)
Rebeprazole sodium

>  <Catalog Number> (1,689)
S4665

>  <Synonyms> (1,689)
Aciphex Sodium, Dexrabeprazole Sodium, Habeprazole Sodium

>  <Target> (1,689)
Proton Pump

>  <Form> (1,689)
sodium salt

>  <URL> (1,689)
http://www.selleckchem.com/products/rebeprazole-sodium.html

>  <CAS Number> (1,689)
117976-90-6

$$$$
S4663 Fusidate Sodium.cdx
csChFnd80/10101813032D

 41 43  0  0  0  0  0  0  0  0999 V2000
    6.1524    3.5219    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3766    4.2312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9344    4.2187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1524    2.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    5.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3766    5.6312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6948    3.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3952    2.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6977    3.5031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9344    5.6124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9344    1.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    6.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1524    6.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4857    4.9468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6977    2.0907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4988    4.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6851    4.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6977    6.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1594    7.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5278    4.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988    1.4063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2681    3.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2552    8.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5278    7.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8776    4.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2681    2.1093    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4988    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    9.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9609    8.9520    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.4571    6.6231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9134    3.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1853    5.8070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7720   10.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1989   12.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5487   12.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2822   13.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9782    2.7998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5082    7.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    0.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1749    8.9429    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 38  1  1  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 39  1  6  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  1  0  0  0
 10 18  1  6  0  0  0
 10 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 19  2  0  0  0  0
 12 14  1  0  0  0  0
 14 20  1  1  0  0  0
 15 21  1  0  0  0  0
 15 40  1  6  0  0  0
 16 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  6  0  0  0
 22 26  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  2  0  0  0  0
 25 31  1  0  0  0  0
 25 32  2  0  0  0  0
 26 33  1  6  0  0  0
 28 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (1,690)
1690

>  <Formula> (1,690)
C31H47NaO6

>  <MolWeight> (1,690)
538.69105

>  <Item Name> (1,690)
Fusidate Sodium

>  <Catalog Number> (1,690)
S4663

>  <Synonyms> (1,690)
Fucidin, Sodium fusidate, SQ-16360

>  <Target> (1,690)
Antifection

>  <Form> (1,690)
sodium salt

>  <URL> (1,690)
http://www.selleckchem.com/products/fusidate-sodium.html

>  <CAS Number> (1,690)
751-94-0

$$$$
S4601 5-Chloro-8-hydroxy-7-iodoquinoline.cdx
csChFnd80/10101813032D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,691)
1691

>  <Formula> (1,691)
C9H5ClINO

>  <MolWeight> (1,691)
305.49957

>  <Item Name> (1,691)
Clioquinol

>  <Catalog Number> (1,691)
S4601

>  <Synonyms> (1,691)
Clioquinol, Iodochlorhydroxyquin, Chinoform

>  <Target> (1,691)
Antifection

>  <Form> (1,691)
Free Base

>  <URL> (1,691)
http://www.selleckchem.com/products/5-chloro-8-hydroxy-7-iodoquinoline.html

>  <CAS Number> (1,691)
130-26-7

$$$$
S4685 Efavirenz.cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.5961    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9498    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7496    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0499    2.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    1.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.3961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8221    4.4236    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  6  0  0  0
  6  1  1  0  0  0  0
  1  2  1  1  0  0  0
  3  1  1  0  0  0  0
  9  2  3  0  0  0  0
  8  3  2  0  0  0  0
 11  3  1  0  0  0  0
  4  6  1  0  0  0  0
  7  4  1  0  0  0  0
 14  4  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  8  7  1  0  0  0  0
 15  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 16 11  2  0  0  0  0
 12 13  1  0  0  0  0
 15 17  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,692)
1692

>  <Formula> (1,692)
C14H9ClF3NO2

>  <MolWeight> (1,692)
315.6749696

>  <Item Name> (1,692)
Efavirenz

>  <Catalog Number> (1,692)
S4685

>  <Synonyms> (1,692)
Sustiva, Stocrin, DMP-266, DMP 266

>  <Target> (1,692)
Reverse Transcriptase

>  <Form> (1,692)
Free Base

>  <URL> (1,692)
http://www.selleckchem.com/products/efavirenz.html

>  <CAS Number> (1,692)
154598-52-4

$$$$
S4696 ArbinoxaMine Maleate.cdx
csChFnd80/10101813032D

 28 28  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.4858    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.7858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,693)
1693

>  <Formula> (1,693)
C20H23ClN2O5

>  <MolWeight> (1,693)
406.86002

>  <Item Name> (1,693)
arbinoxaMine Maleate

>  <Catalog Number> (1,693)
S4696

>  <Synonyms> (1,693)
N/A

>  <Target> (1,693)
Histamine Receptor

>  <Form> (1,693)
maleate

>  <URL> (1,693)
http://www.selleckchem.com/products/arbinoxamine-maleate.html

>  <CAS Number> (1,693)
3505-38-2

$$$$
S4669 Benzocaine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,694)
1694

>  <Formula> (1,694)
C9H12ClNO2

>  <MolWeight> (1,694)
201.65008

>  <Item Name> (1,694)
Benzocaine hydrochloride

>  <Catalog Number> (1,694)
S4669

>  <Synonyms> (1,694)
Ethyl 4-aminobenzoate hydrochloride, Benzocaine HCl, Ethyl p-aminobenzoate hydrochloride

>  <Target> (1,694)
Sodium Channel

>  <Form> (1,694)
hydrochloride

>  <URL> (1,694)
http://www.selleckchem.com/products/benzocaine-hydrochloride.html

>  <CAS Number> (1,694)
23239-88-5

$$$$
S4668 Procaine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,695)
1695

>  <Formula> (1,695)
C13H20N2O2

>  <MolWeight> (1,695)
236.3101

>  <Item Name> (1,695)
Procaine

>  <Catalog Number> (1,695)
S4668

>  <Synonyms> (1,695)
Procaine, Novocaine, Vitamin H3, Duracaine, Spinocaine

>  <Target> (1,695)
Sodium Channel

>  <Form> (1,695)
Free Base

>  <URL> (1,695)
http://www.selleckchem.com/products/procaine.html

>  <CAS Number> (1,695)
59-46-1

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,696)
1696

>  <Formula> (1,696)
C14H23ClN2O

>  <MolWeight> (1,696)
270.79822

>  <Item Name> (1,696)
Lidocaine hydrochloride

>  <Catalog Number> (1,696)
S4667

>  <Synonyms> (1,696)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (1,696)
Others

>  <Form> (1,696)
hydrochloride

>  <URL> (1,696)
http://www.selleckchem.com/products/lidocaine-hydrochloride.html

>  <CAS Number> (1,696)
73-78-9

$$$$
XENAZINE (tetrabenazine).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,697)
1697

>  <Formula> (1,697)
C19H27NO3

>  <MolWeight> (1,697)
317.42258

>  <Item Name> (1,697)
Tetrabenazine (Nitoman, Xenazine)

>  <Catalog Number> (1,697)
S1789

>  <Synonyms> (1,697)
N/A

>  <Target> (1,697)
5-alpha Reductase

>  <Form> (1,697)
Free Base

>  <URL> (1,697)
http://www.selleckchem.com/products/Tetrabenazine(Nitoman).html

>  <CAS Number> (1,697)
58-46-8

$$$$
S4689 Deoxycholic acid.cdx
csChFnd80/10101813032D

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  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  6  0  0  0
 12 18  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 23  1  0  0  0  0
  5 23  1  0  0  0  0
 23 24  1  1  0  0  0
 16 25  2  0  0  0  0
 16 26  1  0  0  0  0
 20 27  1  6  0  0  0
  1 28  1  6  0  0  0
  5 29  1  1  0  0  0
 22 30  1  6  0  0  0
  8 31  1  1  0  0  0
  9 32  1  6  0  0  0
 12 33  1  6  0  0  0
M  END
>  <Mol_ID> (1,698)
1698

>  <Formula> (1,698)
C24H40O4

>  <MolWeight> (1,698)
392.572

>  <Item Name> (1,698)
Deoxycholic acid

>  <Catalog Number> (1,698)
S4689

>  <Synonyms> (1,698)
Deoxycholate, Desoxycholic acid, Cholerebic, Cholorebic

>  <Target> (1,698)
Others

>  <Form> (1,698)
Free Base

>  <URL> (1,698)
http://www.selleckchem.com/products/deoxycholic-acid.html

>  <CAS Number> (1,698)
83-44-3

$$$$
S4697 Saxagliptin hydrate.cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.7000    7.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9124    5.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    6.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    7.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    8.1015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    4.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    5.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004    4.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    6.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6461    3.9613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.3015    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5455    5.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    5.3015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5455    7.3942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9001    3.9092    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2695    3.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9695    4.8305    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0327    5.8709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4021    6.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2440    4.2631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6016    7.1978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  4  1  0  0  0  0
  8 10  1  0  0  0  0
 10  6  1  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 20 19  1  0  0  0  0
 18 21  1  6  0  0  0
 19 22  1  6  0  0  0
 16 23  1  1  0  0  0
 23 24  3  0  0  0  0
 12 25  1  1  0  0  0
  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,699)
1699

>  <Formula> (1,699)
C18H27N3O3

>  <MolWeight> (1,699)
333.42528

>  <Item Name> (1,699)
Saxagliptin hydrate 

>  <Catalog Number> (1,699)
S4697

>  <Synonyms> (1,699)
BMS-477118 hydrate, Onglyza hydrate, BMS 477118 hydrate, BMS477118 hydrate

>  <Target> (1,699)
DPP-4

>  <Form> (1,699)
hydrate

>  <URL> (1,699)
http://www.selleckchem.com/products/saxagliptin-hydrate.html

>  <CAS Number> (1,699)
945667-22-1

$$$$
S4636 Teneligliptin hydrobromide.cdx
csChFnd80/10101813032D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.7000    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    8.4456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    8.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    9.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685   10.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2281    9.7246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1227   12.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1234    7.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6908    6.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6276    5.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970    5.4743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4296    6.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4928    7.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6395    3.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2569    3.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1905    4.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6881    1.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5828    3.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1522    5.1843    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1118    6.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8994    5.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2729    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
A   31
2.5HBr
M  END
>  <Mol_ID> (1,700)
1700

>  <Formula> (1,700)
C22H30N6ORS

>  <MolWeight> (1,700)
426.5782

>  <Item Name> (1,700)
Teneligliptin hydrobromide

>  <Catalog Number> (1,700)
S4636

>  <Synonyms> (1,700)
Teneligliptin hydrobromide anhydrous

>  <Target> (1,700)
DPP-4

>  <Form> (1,700)
hydrobromide

>  <URL> (1,700)
http://www.selleckchem.com/products/teneligliptin-hydrobromide.html

>  <CAS Number> (1,700)
906093-29-6

$$$$
Atazanavir.cdx
csChFnd80/10101813032D

 51 53  0  0  0  0  0  0  0  0999 V2000
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    0.0000    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 30  1  0  0  0  0
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 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 35 36  2  0  0  0  0
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 40 35  1  0  0  0  0
 35 41  1  0  0  0  0
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 28 48  1  1  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48 51  1  0  0  0  0
M  END
>  <Mol_ID> (1,701)
1701

>  <Formula> (1,701)
C38H52N6O7

>  <MolWeight> (1,701)
704.85548

>  <Item Name> (1,701)
Atazanavir

>  <Catalog Number> (1,701)
S4662

>  <Synonyms> (1,701)
Latazanavir, Zrivada, Reyataz, BMS-232632

>  <Target> (1,701)
HIV Protease

>  <Form> (1,701)
Free Base

>  <URL> (1,701)
http://www.selleckchem.com/products/atazanavir-reyataz.html

>  <CAS Number> (1,701)
198904-31-3

$$$$
AT-406.cdx
csChFnd80/10101813032D

 41 44  0  0  0  0  0  0  0  0999 V2000
   12.1603    7.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1603    6.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3727    5.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5851    6.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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AT-406

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S2754

>  <Synonyms> (1,702)
N/A

>  <Target> (1,702)
IAP

>  <Form> (1,702)
Free Base

>  <URL> (1,702)
http://www.selleckchem.com/products/at-406.html

>  <CAS Number> (1,702)
1071992-99-8, 1071992-57-8 (HCl)

$$$$
Tazobactam.cdx
csChFnd80/10101813032D

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1703

>  <Formula> (1,703)
C10H12N4O5S

>  <MolWeight> (1,703)
300.29108

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Tazobactam

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S3077

>  <Synonyms> (1,703)
N/A

>  <Target> (1,703)
Antifection

>  <Form> (1,703)
Free Base

>  <URL> (1,703)
http://www.selleckchem.com/products/tazobactam.html

>  <CAS Number> (1,703)
89786-04-9, 89785-84-2 (sodium salt)

$$$$
S4673 Etonogestrel.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,704)
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>  <Formula> (1,704)
C22H28O2

>  <MolWeight> (1,704)
324.45652

>  <Item Name> (1,704)
Etonogestrel

>  <Catalog Number> (1,704)
S4673

>  <Synonyms> (1,704)
Implanon, Nexplanon, 3-Oxodesogestrel, 3-keto-Desogestrel

>  <Target> (1,704)
Estrogen/progestogen Receptor

>  <Form> (1,704)
Free Base

>  <URL> (1,704)
http://www.selleckchem.com/products/etonogestrel.html

>  <CAS Number> (1,704)
54048-10-1

$$$$
S4686 Escin.cdx
csChFnd80/10101813032D

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Aescin

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Immunology & Inflammation related

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http://www.selleckchem.com/products/escin.html

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6805-41-0

$$$$
TH-302.cdx
csChFnd80/10101813032D

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free base

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http://www.selleckchem.com/products/th-302.html

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918633-87-1

$$$$
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>  <Formula> (1,707)
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Stugeron|Dimitronal|Stutgin|Cinarizine

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Free Base

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http://www.selleckchem.com/products/cinnarizine.html

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298-57-7

$$$$
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1708

>  <Formula> (1,708)
C34H24N6Na4O14S4

>  <MolWeight> (1,708)
960.80524

>  <Item Name> (1,708)
Evans Blue

>  <Catalog Number> (1,708)
S4716

>  <Synonyms> (1,708)
Direct Blue 53

>  <Target> (1,708)
GluR

>  <Form> (1,708)
sodium salt

>  <URL> (1,708)
http://www.selleckchem.com/products/evans-blue.html

>  <CAS Number> (1,708)
314-13-6

$$$$
S4711 Esculetin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,709)
1709

>  <Formula> (1,709)
C9H6O4

>  <MolWeight> (1,709)
178.14154

>  <Item Name> (1,709)
Esculetin

>  <Catalog Number> (1,709)
S4711

>  <Synonyms> (1,709)
Cichorigenin|Aesculetin

>  <Target> (1,709)
Others

>  <Form> (1,709)
Free Base

>  <URL> (1,709)
http://www.selleckchem.com/products/esculetin.html

>  <CAS Number> (1,709)
305-01-1

$$$$
S4719 Kynurenic acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,710)
1710

>  <Formula> (1,710)
C10H7NO3

>  <MolWeight> (1,710)
189.16748

>  <Item Name> (1,710)
Kynurenic acid

>  <Catalog Number> (1,710)
S4719

>  <Synonyms> (1,710)
Quinurenic acid|Kynurenate

>  <Target> (1,710)
Others

>  <Form> (1,710)
Free Base

>  <URL> (1,710)
http://www.selleckchem.com/products/kynurenic-acid.html

>  <CAS Number> (1,710)
492-27-3

$$$$
S4728 3,3'-Diindolylmethane.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,711)
1711

>  <Formula> (1,711)
C17H14N2

>  <MolWeight> (1,711)
246.30646

>  <Item Name> (1,711)
3,3'-Diindolylmethane

>  <Catalog Number> (1,711)
S4728

>  <Synonyms> (1,711)
DIM

>  <Target> (1,711)
Others

>  <Form> (1,711)
Free Base

>  <URL> (1,711)
http://www.selleckchem.com/products/3-3-diindolylmethane.html

>  <CAS Number> (1,711)
1968-05-4

$$$$
S4717 Isatin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,712)
1712

>  <Formula> (1,712)
C8H5NO2

>  <MolWeight> (1,712)
147.1308

>  <Item Name> (1,712)
Isatin

>  <Catalog Number> (1,712)
S4717

>  <Synonyms> (1,712)
2,3-Indolinedione

>  <Target> (1,712)
MAO

>  <Form> (1,712)
Free Base

>  <URL> (1,712)
http://www.selleckchem.com/products/isatin.html

>  <CAS Number> (1,712)
91-56-5

$$$$
S4715 Benzamide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,713)
1713

>  <Formula> (1,713)
C7H7NO

>  <MolWeight> (1,713)
121.13658

>  <Item Name> (1,713)
Benzamide

>  <Catalog Number> (1,713)
S4715

>  <Synonyms> (1,713)
Sulfabenzamide|Sulfabenzid|Sulfabenzide|Sulfabenzoylamide|N-Sulfamylbenzamide

>  <Target> (1,713)
Others

>  <Form> (1,713)
Free Base

>  <URL> (1,713)
http://www.selleckchem.com/products/benzamide.html

>  <CAS Number> (1,713)
55-21-0

$$$$
S4708 Palmitoylethanolamide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,714)
1714

>  <Formula> (1,714)
C18H37NO2

>  <MolWeight> (1,714)
299.49188

>  <Item Name> (1,714)
Palmitoylethanolamide

>  <Catalog Number> (1,714)
S4708

>  <Synonyms> (1,714)
Palmidrol|N-palmitoylethanolamine

>  <Target> (1,714)
PPAR

>  <Form> (1,714)
Free Base

>  <URL> (1,714)
http://www.selleckchem.com/products/palmitoylethanolamide.html

>  <CAS Number> (1,714)
544-31-0

$$$$
S4718 Acetylcholine iodide.cdx
csChFnd80/10101813032D

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    3.2496    2.3606    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,715)
1715

>  <Formula> (1,715)
C7H16INO2

>  <MolWeight> (1,715)
273.11191

>  <Item Name> (1,715)
Acetylcholine iodide

>  <Catalog Number> (1,715)
S4718

>  <Synonyms> (1,715)
Acetylcolina

>  <Target> (1,715)
Others

>  <Form> (1,715)
iodide salt

>  <URL> (1,715)
http://www.selleckchem.com/products/acetylcholine-iodide.html

>  <CAS Number> (1,715)
2260-50-6

$$$$
S4714 (-)-Menthol.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6235    2.1002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6192    3.4946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4011    1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316    4.1946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2017    2.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0480    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  1  0  0  0
M  END
>  <Mol_ID> (1,716)
1716

>  <Formula> (1,716)
C10H20O

>  <MolWeight> (1,716)
156.2652

>  <Item Name> (1,716)
(-)-Menthol

>  <Catalog Number> (1,716)
S4714

>  <Synonyms> (1,716)
L-Menthol|Levomenthol|Menthomenthol|Menthacamphor

>  <Target> (1,716)
Others

>  <Form> (1,716)
Free Base

>  <URL> (1,716)
http://www.selleckchem.com/products/-menthol.html

>  <CAS Number> (1,716)
2216-51-5

$$$$
TEGISON (etretinate).cdx
csChFnd80/10101813032D

 26 26  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4074    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1 10  1  0  0  0  0
  6 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 14 24  1  0  0  0  0
 18 25  1  0  0  0  0
 20 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,717)
1717

>  <Formula> (1,717)
C23H30O3

>  <MolWeight> (1,717)
354.4825

>  <Item Name> (1,717)
Etretinate

>  <Catalog Number> (1,717)
S4699

>  <Synonyms> (1,717)
N/A

>  <Target> (1,717)
Retinoid Receptor

>  <Form> (1,717)
Free Base

>  <URL> (1,717)
http://www.selleckchem.com/products/etretinate.html

>  <CAS Number> (1,717)
54350-48-0

$$$$
S4726 Lauric Acid.cdx
csChFnd80/10101813032D

 14 13  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,718)
1718

>  <Formula> (1,718)
C12H24O2

>  <MolWeight> (1,718)
200.31776

>  <Item Name> (1,718)
Lauric Acid

>  <Catalog Number> (1,718)
S4726

>  <Synonyms> (1,718)
N/A

>  <Target> (1,718)
Others

>  <Form> (1,718)
Free Base

>  <URL> (1,718)
http://www.selleckchem.com/products/lauric-acid.html

>  <CAS Number> (1,718)
143-07-7

$$$$
S4725 Benzenesulfonamide.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,719)
1719

>  <Formula> (1,719)
C6H7NO2S

>  <MolWeight> (1,719)
157.19028

>  <Item Name> (1,719)
Benzenesulfonamide

>  <Catalog Number> (1,719)
S4725

>  <Synonyms> (1,719)
N/A

>  <Target> (1,719)
Carbonic Anhydrase

>  <Form> (1,719)
Free Base

>  <URL> (1,719)
http://www.selleckchem.com/products/benzenesulfonamide.html

>  <CAS Number> (1,719)
98-10-2

$$$$
Pantoprazole.cdx
csChFnd80/10101813032D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810    1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2039    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810    3.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.8182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8182    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.7255    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    2.4207    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   10.2966    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7966    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6991    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4942    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8942    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,720)
1720

>  <Formula> (1,720)
C16H15F2N3O4S

>  <MolWeight> (1,720)
383.3698064

>  <Item Name> (1,720)
Pantoprazole (Protonix)

>  <Catalog Number> (1,720)
S2105

>  <Synonyms> (1,720)
N/A

>  <Target> (1,720)
Proton Pump

>  <Form> (1,720)
Free Base

>  <URL> (1,720)
http://www.selleckchem.com/products/pantoprazole-protonix.html

>  <CAS Number> (1,720)
102625-70-7

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1000    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,721)
1721

>  <Formula> (1,721)
C6H12O5

>  <MolWeight> (1,721)
164.15648

>  <Item Name> (1,721)
2-Deoxy-D-glucose

>  <Catalog Number> (1,721)
S4701

>  <Synonyms> (1,721)
2-deoxyglucose, NSC 15193

>  <Target> (1,721)
Others

>  <Form> (1,721)
Free Base

>  <URL> (1,721)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

>  <CAS Number> (1,721)
154-17-6

$$$$
S4710 Picolinamide.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,722)
1722

>  <Formula> (1,722)
C6H6N2O

>  <MolWeight> (1,722)
122.12464

>  <Item Name> (1,722)
Picolinamide

>  <Catalog Number> (1,722)
S4710

>  <Synonyms> (1,722)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (1,722)
PARP

>  <Form> (1,722)
Free Base

>  <URL> (1,722)
http://www.selleckchem.com/products/picolinamide.html

>  <CAS Number> (1,722)
1452-77-3

$$$$
S4723 (-)Epicatechin.cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,723)
1723

>  <Formula> (1,723)
C15H14O6

>  <MolWeight> (1,723)
290.26806

>  <Item Name> (1,723)
(-)Epicatechin

>  <Catalog Number> (1,723)
S4723

>  <Synonyms> (1,723)
L-Epicatechin, (-)-Epicatechol

>  <Target> (1,723)
Others

>  <Form> (1,723)
Free Base

>  <URL> (1,723)
http://www.selleckchem.com/products/-epicatechin.html

>  <CAS Number> (1,723)
490-46-0

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/10101813032D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,724)
1724

>  <Formula> (1,724)
C21H26ClN3OS

>  <MolWeight> (1,724)
403.96864

>  <Item Name> (1,724)
Perphenazine

>  <Catalog Number> (1,724)
S4731

>  <Synonyms> (1,724)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (1,724)
Dopamine Receptor

>  <Form> (1,724)
Free Base

>  <URL> (1,724)
http://www.selleckchem.com/products/perphenazine.html

>  <CAS Number> (1,724)
58-39-9

$$$$
Prochlorperazine dimaleate salt.cdx
csChFnd80/10101813032D

 41 42  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,725)
1725

>  <Formula> (1,725)
C28H32ClN3O8S

>  <MolWeight> (1,725)
606.08698

>  <Item Name> (1,725)
Prochlorperazine dimaleate salt

>  <Catalog Number> (1,725)
S4631

>  <Synonyms> (1,725)
Prochlorperazin, Compazine, Capazine, Stemetil

>  <Target> (1,725)
Dopamine Receptor

>  <Form> (1,725)
dimaleate

>  <URL> (1,725)
http://www.selleckchem.com/products/prochlorperazine.html

>  <CAS Number> (1,725)
84-02-6

$$$$
S4732 MPTP hydrochloride.cdx
csChFnd80/10101813032D

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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,726)
1726

>  <Formula> (1,726)
C12H16ClN

>  <MolWeight> (1,726)
209.71514

>  <Item Name> (1,726)
MPTP hydrochloride

>  <Catalog Number> (1,726)
S4732

>  <Synonyms> (1,726)
N/A

>  <Target> (1,726)
Dopamine Receptor

>  <Form> (1,726)
hydrochloride

>  <URL> (1,726)
http://www.selleckchem.com/products/mptp-hydrochloride.html

>  <CAS Number> (1,726)
23007-85-4

$$$$
MK4827.cdx
csChFnd80/10101813032D

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  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
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  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,727)
1727

>  <Formula> (1,727)
C19H20N4O

>  <MolWeight> (1,727)
320.3883

>  <Item Name> (1,727)
MK-4827(Niraparib)

>  <Catalog Number> (1,727)
S2741

>  <Synonyms> (1,727)
N/A

>  <Target> (1,727)
PARP

>  <Form> (1,727)
Free Base

>  <URL> (1,727)
http://www.selleckchem.com/products/mk-4827.html

>  <CAS Number> (1,727)
1038915-60-4

$$$$
S4729 Tamsulosin hydrochloride.cdx
csChFnd80/10101813032D

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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3570    0.1246    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 25  2  0  0  0  0
  7 26  2  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,728)
1728

>  <Formula> (1,728)
C20H29ClN2O5S

>  <MolWeight> (1,728)
444.97266

>  <Item Name> (1,728)
Tamsulosin hydrochloride

>  <Catalog Number> (1,728)
S4729

>  <Synonyms> (1,728)
Tamsulosina hydrochloride, Tamsulosinum hydrochloride

>  <Target> (1,728)
Adrenergic Receptor

>  <Form> (1,728)
hydrochloride

>  <URL> (1,728)
http://www.selleckchem.com/products/tamsulosin-hydrochloride.html

>  <CAS Number> (1,728)
106463-17-6

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/10101813032D

 52 56  0  0  0  0  0  0  0  0999 V2000
   10.9455    3.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2911    3.9469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9455    2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    4.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1128    2.8021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7306    5.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2825    1.6712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    3.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    5.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5127    2.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1015    5.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7406    6.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4990    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5096    6.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2033    1.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2082    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5410    6.8893    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5096    7.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5927    1.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6010    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9119    7.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5510    7.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    8.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    8.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2894    2.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2927    0.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3514    8.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9134    9.2316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1988    7.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848    7.7247    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.6894    2.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7092    8.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3860    9.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    8.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848    6.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883   10.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8594   10.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    7.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    5.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    5.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2586   11.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5667   10.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    6.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    8.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7261   12.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346    5.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
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  5  7  1  0  0  0  0
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 21 28  1  0  0  0  0
 22 27  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  2  0  0  0  0
 32 25  1  0  0  0  0
 27 33  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  2  0  0  0  0
 32 36  1  0  0  0  0
 32 37  1  1  0  0  0
 34 38  2  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  1  0  0  0  0
 37 42  2  0  0  0  0
 38 43  1  0  0  0  0
 38 44  1  0  0  0  0
 39 43  2  0  0  0  0
 40 45  2  0  0  0  0
 40 46  1  0  0  0  0
 43 47  1  0  0  0  0
 45 48  1  0  0  0  0
 46 49  2  0  0  0  0
 48 50  2  0  0  0  0
 48 51  1  0  0  0  0
 49 50  1  0  0  0  0
 50 52  1  0  0  0  0
M  END
>  <Mol_ID> (1,729)
1729

>  <Formula> (1,729)
C36H30O16

>  <MolWeight> (1,729)
718.6138

>  <Item Name> (1,729)
Salvianolic acid B

>  <Catalog Number> (1,729)
S4735

>  <Synonyms> (1,729)
Lithospermate B

>  <Target> (1,729)
Others

>  <Form> (1,729)
Free Base

>  <URL> (1,729)
http://www.selleckchem.com/products/salvianolic-acid-b.html

>  <CAS Number> (1,729)
121521-90-2

$$$$
S4734 Retigabine 2HCl.cdx
csChFnd80/10101813032D

 24 23  0  0  0  0  0  0  0  0999 V2000
   12.5294    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7418    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3170    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5294    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9543    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1667    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3791    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3791    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1667    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9543    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5916    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8040    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7222   25.2169    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 12 13  1  0  0  0  0
 11 12  1  0  0  0  0
  8 11  1  0  0  0  0
  6 20  1  0  0  0  0
  2  5  1  0  0  0  0
 21 22  1  0  0  0  0
  4 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,730)
1730

>  <Formula> (1,730)
C16H20Cl2FN3O2

>  <MolWeight> (1,730)
376.2533032

>  <Item Name> (1,730)
Retigabine 2HCl

>  <Catalog Number> (1,730)
S4734

>  <Synonyms> (1,730)
N-(2-amino-4-[fluorobenzylamino]-phenyl) carbamic acid (2HCl), D-23129 2HCl

>  <Target> (1,730)
Potassium Channel

>  <Form> (1,730)
dihydrochloride

>  <URL> (1,730)
http://www.selleckchem.com/products/retigabine-2hcl.html

>  <CAS Number> (1,730)
150812-13-8

$$$$
S4733 Retigabine.cdx
csChFnd80/10101813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (1,731)
C16H18FN3O2

>  <MolWeight> (1,731)
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>  <Item Name> (1,731)
Retigabine

>  <Catalog Number> (1,731)
S4733

>  <Synonyms> (1,731)
N-(2-amino-4-[fluorobenzylamino]-phenyl) carbamic acid|D-23129

>  <Target> (1,731)
Potassium Channel

>  <Form> (1,731)
Free Base

>  <URL> (1,731)
http://www.selleckchem.com/products/retigabine.html

>  <CAS Number> (1,731)
150812-12-7

$$$$
S4736 Trapidil.cdx
csChFnd80/10101813032D

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>  <Formula> (1,732)
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>  <Item Name> (1,732)
Trapidil

>  <Catalog Number> (1,732)
S4736

>  <Synonyms> (1,732)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (1,732)
PDGFR

>  <Form> (1,732)
Free Base

>  <URL> (1,732)
http://www.selleckchem.com/products/trapidil.html

>  <CAS Number> (1,732)
15421-84-8

$$$$
S4747 Jervine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,733)
1733

>  <Formula> (1,733)
C27H39NO3

>  <MolWeight> (1,733)
425.60346

>  <Item Name> (1,733)
Jervine

>  <Catalog Number> (1,733)
S4747

>  <Synonyms> (1,733)
11-Ketocyclopamine

>  <Target> (1,733)
Hedgehog/Smoothened

>  <Form> (1,733)
Free Base

>  <URL> (1,733)
http://www.selleckchem.com/products/jervine.html

>  <CAS Number> (1,733)
469-59-0

$$$$
S4746 (20S)-Protopanaxadiol.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,734)
1734

>  <Formula> (1,734)
C30H52O3

>  <MolWeight> (1,734)
460.73208

>  <Item Name> (1,734)
(20S)-Protopanaxadiol

>  <Catalog Number> (1,734)
S4746

>  <Synonyms> (1,734)
20-Epiprotopanaxadiol

>  <Target> (1,734)
Others

>  <Form> (1,734)
Free Base

>  <URL> (1,734)
http://www.selleckchem.com/products/20s-protopanaxadiol.html

>  <CAS Number> (1,734)
30636-90-9

$$$$
S4739 Oxyresveratrol.cdx
csChFnd80/10101813032D

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1735

>  <Formula> (1,735)
C14H12O4

>  <MolWeight> (1,735)
244.24268

>  <Item Name> (1,735)
Oxyresveratrol

>  <Catalog Number> (1,735)
S4739

>  <Synonyms> (1,735)
Tetrahydroxystilbene, 2,3',4,5'-tetrahydroxystilbene

>  <Target> (1,735)
Others

>  <Form> (1,735)
Free Base

>  <URL> (1,735)
http://www.selleckchem.com/products/oxyresveratrol.html

>  <CAS Number> (1,735)
29700-22-9

$$$$
S4738 Arctiin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,736)
1736

>  <Formula> (1,736)
C27H34O11

>  <MolWeight> (1,736)
534.55226

>  <Item Name> (1,736)
Arctiin

>  <Catalog Number> (1,736)
S4738

>  <Synonyms> (1,736)
Arctigenin-4-Glucoside, NSC 315527

>  <Target> (1,736)
Others

>  <Form> (1,736)
Free Base

>  <URL> (1,736)
http://www.selleckchem.com/products/arctiin.html

>  <CAS Number> (1,736)
20362-31-6

$$$$
S4737 Psoralen.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,737)
1737

>  <Formula> (1,737)
C11H6O3

>  <MolWeight> (1,737)
186.16354

>  <Item Name> (1,737)
Psoralen

>  <Catalog Number> (1,737)
S4737

>  <Synonyms> (1,737)
psoralene, Ficusin, Furocoumarin

>  <Target> (1,737)
DNA/RNA Synthesis

>  <Form> (1,737)
Free Base

>  <URL> (1,737)
http://www.selleckchem.com/products/psoralen.html

>  <CAS Number> (1,737)
66-97-7

$$$$
Genistin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,738)
1738

>  <Formula> (1,738)
C21H20O10

>  <MolWeight> (1,738)
432.3775

>  <Item Name> (1,738)
Genistin (Genistoside)

>  <Catalog Number> (1,738)
S2301

>  <Synonyms> (1,738)
Genistoside, Genistine, Genistein 7-glucoside, Genistein glucoside

>  <Target> (1,738)
Others

>  <Form> (1,738)
Free Base

>  <URL> (1,738)
http://www.selleckchem.com/products/Genistin(Genistoside).html

>  <CAS Number> (1,738)
529-59-9

$$$$
S4742 Rebaudioside C.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,739)
1739

>  <Formula> (1,739)
C44H70O22

>  <MolWeight> (1,739)
951.0134

>  <Item Name> (1,739)
Rebaudioside C

>  <Catalog Number> (1,739)
S4742

>  <Synonyms> (1,739)
Dulcoside B

>  <Target> (1,739)
Others

>  <Form> (1,739)
Free Base

>  <URL> (1,739)
http://www.selleckchem.com/products/rebaudioside-c.html

>  <CAS Number> (1,739)
63550-99-2

$$$$
S4743 Wogonin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,740)
1740

>  <Formula> (1,740)
C16H12O5

>  <MolWeight> (1,740)
284.26348

>  <Item Name> (1,740)
Wogonin

>  <Catalog Number> (1,740)
S4743

>  <Synonyms> (1,740)
Vogonin

>  <Target> (1,740)
CDK

>  <Form> (1,740)
Free Base

>  <URL> (1,740)
http://www.selleckchem.com/products/wogonin.html

>  <CAS Number> (1,740)
632-85-9

$$$$
S4750 Sulfacetamide sodium salt hydrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,741)
1741

>  <Formula> (1,741)
C8H11N2NaO4S

>  <MolWeight> (1,741)
254.23871

>  <Item Name> (1,741)
Sulfacetamide Sodium salt hydrate

>  <Catalog Number> (1,741)
S4750

>  <Synonyms> (1,741)
N/A

>  <Target> (1,741)
Autophagy

>  <Form> (1,741)
sodium salt hyd

>  <URL> (1,741)
http://www.selleckchem.com/products/sulfacetamide-sodium-salt-hydrate.html

>  <CAS Number> (1,741)
6209-17-2

$$$$
S4749 Citalopram HBr.cdx
csChFnd80/10101813032D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,742)
1742

>  <Formula> (1,742)
C20H22BrFN2O

>  <MolWeight> (1,742)
405.3038832

>  <Item Name> (1,742)
Citalopram HBr

>  <Catalog Number> (1,742)
S4749

>  <Synonyms> (1,742)
Nitalapram HBr, Prepram HBr, Bonitrile HBr, Lu 10-171 HBr

>  <Target> (1,742)
5-HT Receptor

>  <Form> (1,742)
hydrobromide

>  <URL> (1,742)
http://www.selleckchem.com/products/citalopram-hbr.html

>  <CAS Number> (1,742)
59729-32-7

$$$$
S4748 Ondansetron HCl.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,743)
1743

>  <Formula> (1,743)
C18H24ClN3O3

>  <MolWeight> (1,743)
365.85446

>  <Item Name> (1,743)
Ondansetron Hydrochloride Dihydrate

>  <Catalog Number> (1,743)
S4748

>  <Synonyms> (1,743)
N/A

>  <Target> (1,743)
5-HT Receptor

>  <Form> (1,743)
hydrochloride

>  <URL> (1,743)
http://www.selleckchem.com/products/ondansetron-hcl.html

>  <CAS Number> (1,743)
103639-04-9

$$$$
S4752 Corticosterone.cdx
csChFnd80/10101813032D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,744)
1744

>  <Formula> (1,744)
C21H30O4

>  <MolWeight> (1,744)
346.4605

>  <Item Name> (1,744)
Corticosterone

>  <Catalog Number> (1,744)
S4752

>  <Synonyms> (1,744)
17-deoxycortisol, 11¦Â,21-dihydroxyprogesterone

>  <Target> (1,744)
Glucocorticoid Receptor

>  <Form> (1,744)
Free Base

>  <URL> (1,744)
http://www.selleckchem.com/products/corticosterone.html

>  <CAS Number> (1,744)
50-22-6

$$$$
S4751 Cisapride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,745)
1745

>  <Formula> (1,745)
C23H31ClFN3O5

>  <MolWeight> (1,745)
483.9607432

>  <Item Name> (1,745)
Cisapride hydrate

>  <Catalog Number> (1,745)
S4751

>  <Synonyms> (1,745)
Propulsid, Alimix, Propulsin, Enteropride, Kinestase

>  <Target> (1,745)
5-HT Receptor

>  <Form> (1,745)
hydrate

>  <URL> (1,745)
http://www.selleckchem.com/products/cisapride.html

>  <CAS Number> (1,745)
260779-88-2

$$$$
Imidapril hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,746)
1746

>  <Formula> (1,746)
C20H28ClN3O6

>  <MolWeight> (1,746)
441.90582

>  <Item Name> (1,746)
Imidapril HCl

>  <Catalog Number> (1,746)
S2109

>  <Synonyms> (1,746)
N/A

>  <Target> (1,746)
RAAS

>  <Form> (1,746)
Hydrochloride

>  <URL> (1,746)
http://www.selleckchem.com/products/imidapril-tanatril.html

>  <CAS Number> (1,746)
89396-94-1

$$$$
S4678 Povidone iodine.cdx
csChFnd80/10101813032D

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A   11
n
A   12
xI2
M  END
>  <Mol_ID> (1,747)
1747

>  <Formula> (1,747)
C8H15NOR2

>  <MolWeight> (1,747)
141.2108

>  <Item Name> (1,747)
Povidone iodine

>  <Catalog Number> (1,747)
S4678

>  <Synonyms> (1,747)
Betadine, PVP iodine, PVP-I, Isodine

>  <Target> (1,747)
Antifection

>  <Form> (1,747)
iodine

>  <URL> (1,747)
http://www.selleckchem.com/products/povidone-iodine.html

>  <CAS Number> (1,747)
25655-41-8

$$$$
Azatadine dimaleate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,748)
1748

>  <Formula> (1,748)
C28H30N2O8

>  <MolWeight> (1,748)
522.5464

>  <Item Name> (1,748)
Azatadine dimaleate

>  <Catalog Number> (1,748)
S3186

>  <Synonyms> (1,748)
SCH10649

>  <Target> (1,748)
Histamine Receptor

>  <Form> (1,748)
Dimaleate

>  <URL> (1,748)
http://www.selleckchem.com/products/azatadine-dimaleate.html

>  <CAS Number> (1,748)
3978-86-7

$$$$
S1499 Cefaclor.cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
    8.7728    4.9875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7728    3.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9853    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1977    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1977    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  2  1  0  0  0  0
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  3 10  1  0  0  0  0
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  1 14  1  6  0  0  0
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 24 19  1  0  0  0  0
 18 25  1  1  0  0  0
M  END
>  <Mol_ID> (1,749)
1749

>  <Formula> (1,749)
C15H16ClN3O5S

>  <MolWeight> (1,749)
385.82264

>  <Item Name> (1,749)
Cefaclor

>  <Catalog Number> (1,749)
S1499

>  <Synonyms> (1,749)
Cefachlor, Cefaclorum

>  <Target> (1,749)
Antifection

>  <Form> (1,749)
monohydrate

>  <URL> (1,749)
http://www.selleckchem.com/products/Cefaclor-(Ceclor).html

>  <CAS Number> (1,749)
70356-03-5

$$$$
S4753  Ganoderic acid A.cdx
csChFnd80/10101813032D

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.2939    3.5537    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0590    2.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2939    4.9232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6361    3.0990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8882    3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0590    1.4253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6282    5.3390    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1020    5.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4413    4.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8882    4.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4486    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4204    6.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3847    5.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9878    4.6410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6740    5.5963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2710    0.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7098    5.2966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3130    3.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0705    5.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4672    6.9662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7 13  1  1  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  6  0  0  0
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 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
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 17 21  1  1  0  0  0
 17 22  1  6  0  0  0
 10 23  1  1  0  0  0
  1 24  1  6  0  0  0
  3 25  1  1  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 11 30  2  0  0  0  0
  4 31  1  6  0  0  0
  6 32  1  1  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (1,750)
1750

>  <Formula> (1,750)
C30H44O7

>  <MolWeight> (1,750)
516.66616

>  <Item Name> (1,750)
Ganoderic acid A

>  <Catalog Number> (1,750)
S4753

>  <Synonyms> (1,750)
N/A

>  <Target> (1,750)
others

>  <Form> (1,750)
free base

>  <URL> (1,750)
http://www.selleckchem.com/products/ganoderic-acid-a.html

>  <CAS Number> (1,750)
81907-62-2

$$$$
Stavudine.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.1480    3.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3999    5.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,751)
1751

>  <Formula> (1,751)
C10H12N2O4

>  <MolWeight> (1,751)
224.21328

>  <Item Name> (1,751)
Stavudine

>  <Catalog Number> (1,751)
S1398

>  <Synonyms> (1,751)
BMY-27857, Sanilvudine, NSC 163661

>  <Target> (1,751)
Reverse Transcriptase

>  <Form> (1,751)
free base

>  <URL> (1,751)
http://selleckchem.com/products/Stavudine.html

>  <CAS Number> (1,751)
3056-17-5

$$$$
NS-187.cdx
csChFnd80/10101813032D

 42 46  0  0  0  0  0  0  0  0999 V2000
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 42 37  1  0  0  0  0
M  END
>  <Mol_ID> (1,752)
1752

>  <Formula> (1,752)
C30H31F3N8O

>  <MolWeight> (1,752)
576.6153496

>  <Item Name> (1,752)
Bafetinib (INNO-406)

>  <Catalog Number> (1,752)
S1369

>  <Synonyms> (1,752)
NS-187

>  <Target> (1,752)
Abl,Lyn

>  <Form> (1,752)
Free Base

>  <URL> (1,752)
http://www.selleckchem.com/products/Bafetinib.html

>  <CAS Number> (1,752)
859212-16-1

$$$$
S3608 Demethylzeylasteral.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,753)
1753

>  <Formula> (1,753)
C29H36O6

>  <MolWeight> (1,753)
480.59254

>  <Item Name> (1,753)
Demethylzeylasteral (T-96)

>  <Catalog Number> (1,753)
S3608

>  <Synonyms> (1,753)
N/A

>  <Target> (1,753)
UGT1A6,UGT2B7

>  <Form> (1,753)
free base

>  <URL> (1,753)
http://www.selleckchem.com/products/demethylzeylasteral-t-96.html

>  <CAS Number> (1,753)
107316-88-1

$$$$
S4757 Dihydrotestosterone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,754)
1754

>  <Formula> (1,754)
C19H30O2

>  <MolWeight> (1,754)
290.4403

>  <Item Name> (1,754)
Dihydrotestosterone (DHT)

>  <Catalog Number> (1,754)
S4757

>  <Synonyms> (1,754)
androstanolone, stanolone, 5¦Á-DHT

>  <Target> (1,754)
androgen receptor

>  <Form> (1,754)
free base

>  <URL> (1,754)
http://www.selleckchem.com/products/dihydrotestosterone.html

>  <CAS Number> (1,754)
521-18-6

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,755)
1755

>  <Formula> (1,755)
C37H42Cl2N2O6

>  <MolWeight> (1,755)
681.64518

>  <Item Name> (1,755)
Berbamine (dihydrochloride)

>  <Catalog Number> (1,755)
S3609

>  <Synonyms> (1,755)
N/A

>  <Target> (1,755)
NF-¦ÊB,bcr/abl

>  <Form> (1,755)
dihydrochloride

>  <URL> (1,755)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

>  <CAS Number> (1,755)
6078-17-7

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,756)
1756

>  <Formula> (1,756)
C18H16O8

>  <MolWeight> (1,756)
360.31484

>  <Item Name> (1,756)
Rosmarinic acid

>  <Catalog Number> (1,756)
S3612

>  <Synonyms> (1,756)
Rosemary acid

>  <Target> (1,756)
IKK ¦Â

>  <Form> (1,756)
free base

>  <URL> (1,756)
http://www.selleckchem.com/products/rosmarinic-acid.html

>  <CAS Number> (1,756)
20283-92-5

$$$$
S3618 Acetylspiramycin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,757)
1757

>  <Formula> (1,757)
C45H76N2O15

>  <MolWeight> (1,757)
885.08934

>  <Item Name> (1,757)
Acetylspiramycin (ASPM)

>  <Catalog Number> (1,757)
S3618

>  <Synonyms> (1,757)
Spiramycin II, Foromacidin B

>  <Target> (1,757)
Others

>  <Form> (1,757)
free base

>  <URL> (1,757)
http://www.selleckchem.com/products/acetylspiramycin.html

>  <CAS Number> (1,757)
24916-51-6

$$$$
S3605 Borneol.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,758)
1758

>  <Formula> (1,758)
C10H18O

>  <MolWeight> (1,758)
154.24932

>  <Item Name> (1,758)
Borneol

>  <Catalog Number> (1,758)
S3605

>  <Synonyms> (1,758)
N/A

>  <Target> (1,758)
TRPM8

>  <Form> (1,758)
free base

>  <URL> (1,758)
http://www.selleckchem.com/products/borneol.html

>  <CAS Number> (1,758)
507-70-0

$$$$
S3606 Fangchinoline.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,759)
1759

>  <Formula> (1,759)
C37H40N2O6

>  <MolWeight> (1,759)
608.7233

>  <Item Name> (1,759)
Fangchinoline

>  <Catalog Number> (1,759)
S3606

>  <Synonyms> (1,759)
N/A

>  <Target> (1,759)
HIV-1

>  <Form> (1,759)
free base

>  <URL> (1,759)
http://www.selleckchem.com/products/fangchinoline.html

>  <CAS Number> (1,759)
33889-68-8

$$$$
S3691 4-Chlorosalicylic acid.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6385    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265    2.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0634    2.0993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8522    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0028    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,760)
1760

>  <Formula> (1,760)
C7H5ClO3

>  <MolWeight> (1,760)
172.5658

>  <Item Name> (1,760)
4-Chloro-2-hydroxybenzoic acid

>  <Catalog Number> (1,760)
S3691

>  <Synonyms> (1,760)
4-chloro salicylic acid

>  <Target> (1,760)
Others

>  <Form> (1,760)
free base

>  <URL> (1,760)
http://www.selleckchem.com/products/4-chlorosalicylic-acid.html

>  <CAS Number> (1,760)
5106-98-9

$$$$
S3692 N-Ethylmaleimide.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4560    2.0987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3325    2.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5871    2.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7616    4.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1690    4.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9158    2.4734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6662    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,761)
1761

>  <Formula> (1,761)
C6H7NO2

>  <MolWeight> (1,761)
125.12528

>  <Item Name> (1,761)
N-Ethylmaleimide (NEM)

>  <Catalog Number> (1,761)
S3692

>  <Synonyms> (1,761)
N/A

>  <Target> (1,761)
cysteine peptidases

>  <Form> (1,761)
free base

>  <URL> (1,761)
http://www.selleckchem.com/products/n-ethylmaleimide-nem.html

>  <CAS Number> (1,761)
128-53-0

$$$$
S3696 PTP Inhibitor I.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6288    2.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359    0.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8412    2.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2053    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0515    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8412    4.2170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2468    2.8061    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,762)
1762

>  <Formula> (1,762)
C8H7BrO2

>  <MolWeight> (1,762)
215.04398

>  <Item Name> (1,762)
PTP Inhibitor I

>  <Catalog Number> (1,762)
S3696

>  <Synonyms> (1,762)
¦Á-Bromo-4-hydroxyacetophenone,SHP-1 Inhibitor II

>  <Target> (1,762)
protein tyrosine phosphatase

>  <Form> (1,762)
free base

>  <URL> (1,762)
http://www.selleckchem.com/products/ptp-inhibitor-i.html

>  <CAS Number> (1,762)
2491-38-5

$$$$
S3697 Mafenide hydrochloride.cdx
csChFnd80/10101813032D

 13 12  0  0  0  0  0  0  0  0999 V2000
    4.8376    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6192    3.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0440    3.9451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4128    3.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2504    4.6554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3336    5.1514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7543    2.7387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4226    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,763)
1763

>  <Formula> (1,763)
C7H11ClN2O2S

>  <MolWeight> (1,763)
222.69244

>  <Item Name> (1,763)
Mafenide hydrochloride

>  <Catalog Number> (1,763)
S3697

>  <Synonyms> (1,763)
4-Aminomethylbenzenesulfonamide hydrochloride

>  <Target> (1,763)
carbonic anhydrase

>  <Form> (1,763)
hydrochloride

>  <URL> (1,763)
http://www.selleckchem.com/products/mafenide-hydrochloride.html

>  <CAS Number> (1,763)
138-37-4

$$$$
S3698 Nortriptyline (hydrochloride).cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.8680    4.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1638    4.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    4.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680    2.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5262    6.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1538    3.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3826    6.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5817    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508    2.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6948    7.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8785    6.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5061    4.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2958    7.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0612    6.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2603    4.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508    0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8684    5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2557    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4643    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1411    2.0332    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 11 17  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,764)
1764

>  <Formula> (1,764)
C19H22ClN

>  <MolWeight> (1,764)
299.83768

>  <Item Name> (1,764)
Nortriptyline hydrochloride

>  <Catalog Number> (1,764)
S3698

>  <Synonyms> (1,764)
ELF-101 hydrochloride, EN-7048 hydrochloride, Desmethylamitriptyline hydrochloride

>  <Target> (1,764)
Kv channels

>  <Form> (1,764)
hydrochloride

>  <URL> (1,764)
http://www.selleckchem.com/products/nortriptyline-hydrochloride.html

>  <CAS Number> (1,764)
894-71-3

$$$$
S3700 DHBP (dibromide).cdx
csChFnd80/10101813032D

 28 27  0  0  0  0  0  0  0  0999 V2000
   10.9532    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1656    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9532    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7656    2.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1656    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3812    2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7138    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5606    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3859    4.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5983    2.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5606    0.7746    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.6049    4.2005    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2746    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8183    4.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0308    4.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2432    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4556    4.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6681    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8805    4.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0929    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1790    2.3289    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   15.8561    2.5476    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,765)
1765

>  <Formula> (1,765)
C24H38Br2N2

>  <MolWeight> (1,765)
514.37992

>  <Item Name> (1,765)
DHBP dibromide

>  <Catalog Number> (1,765)
S3700

>  <Synonyms> (1,765)
1,1'-diheptyl-4,4'-bipyridinium dibromide

>  <Target> (1,765)
Others

>  <Form> (1,765)
dibromide

>  <URL> (1,765)
http://www.selleckchem.com/products/dhbp-dibromide.html

>  <CAS Number> (1,765)
6159-05-3

$$$$
S3701 Benactyzine hydrochloride.cdx
csChFnd80/10101813032D

 25 25  0  0  0  0  0  0  0  0999 V2000
    3.6286    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0666    4.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2768    4.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4903    4.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7022    4.9001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7022    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9149    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9148    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1272    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5163    1.5549    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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M  END
>  <Mol_ID> (1,766)
1766

>  <Formula> (1,766)
C20H26ClNO3

>  <MolWeight> (1,766)
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>  <Item Name> (1,766)
Benactyzine hydrochloride

>  <Catalog Number> (1,766)
S3701

>  <Synonyms> (1,766)
N/A

>  <Target> (1,766)
AChR

>  <Form> (1,766)
hydrochloride

>  <URL> (1,766)
http://www.selleckchem.com/products/benactyzine-hydrochloride.html

>  <CAS Number> (1,766)
57-37-4

$$$$
S3687 Urea.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,767)
1767

>  <Formula> (1,767)
CH4N2O

>  <MolWeight> (1,767)
60.05526

>  <Item Name> (1,767)
Urea

>  <Catalog Number> (1,767)
S3687

>  <Synonyms> (1,767)
Carbamide, Carbonyldiamide, Ureophil

>  <Target> (1,767)
Others

>  <Form> (1,767)
free base

>  <URL> (1,767)
http://www.selleckchem.com/products/urea.html

>  <CAS Number> (1,767)
57-13-6

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,768)
1768

>  <Formula> (1,768)
C4H7NO2

>  <MolWeight> (1,768)
101.10388

>  <Item Name> (1,768)
2,3-Butanedione-2-monoxime

>  <Catalog Number> (1,768)
S3699

>  <Synonyms> (1,768)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (1,768)
skeletal muscle myosin-II

>  <Form> (1,768)
free base

>  <URL> (1,768)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

>  <CAS Number> (1,768)
57-71-6

$$$$
S3634 6-Hydroxyflavone.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,769)
1769

>  <Formula> (1,769)
C15H10O3

>  <MolWeight> (1,769)
238.2381

>  <Item Name> (1,769)
6-Hydroxyflavone (6-HF)

>  <Catalog Number> (1,769)
S3634

>  <Synonyms> (1,769)
N/A

>  <Target> (1,769)
GABAA receptors

>  <Form> (1,769)
free base

>  <URL> (1,769)
http://www.selleckchem.com/products/6-hydroxyflavone-6-hf.html

>  <CAS Number> (1,769)
6665-83-4

$$$$
S3616 Asiaticoside.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,770)
1770

>  <Formula> (1,770)
C48H78O19

>  <MolWeight> (1,770)
959.12152

>  <Item Name> (1,770)
Asiaticoside

>  <Catalog Number> (1,770)
S3616

>  <Synonyms> (1,770)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (1,770)
Others

>  <Form> (1,770)
free base

>  <URL> (1,770)
http://www.selleckchem.com/products/asiaticoside.html

>  <CAS Number> (1,770)
16830-15-2

$$$$
S3617 (20S)-Protopanaxatriol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,771)
1771

>  <Formula> (1,771)
C30H52O4

>  <MolWeight> (1,771)
476.73148

>  <Item Name> (1,771)
(20S)-Protopanaxatriol

>  <Catalog Number> (1,771)
S3617

>  <Synonyms> (1,771)
g-PPT, 20(S)-APPT

>  <Target> (1,771)
GR,ER

>  <Form> (1,771)
free base

>  <URL> (1,771)
http://www.selleckchem.com/products/20s-protopanaxatriol.html

>  <CAS Number> (1,771)
34080-08-5

$$$$
S3632 Trichloroisocyanuric acid.cdx
csChFnd80/10101813032D

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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,772)
1772

>  <Formula> (1,772)
C3Cl3N3O3

>  <MolWeight> (1,772)
232.4094

>  <Item Name> (1,772)
Trichloroisocyanuric acid

>  <Catalog Number> (1,772)
S3632

>  <Synonyms> (1,772)
N/A

>  <Target> (1,772)
Others

>  <Form> (1,772)
free base

>  <URL> (1,772)
http://www.selleckchem.com/products/trichloroisocyanuric-acid.html

>  <CAS Number> (1,772)
87-90-1

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,773)
1773

>  <Formula> (1,773)
C5H12N2S2

>  <MolWeight> (1,773)
164.29218

>  <Item Name> (1,773)
Pyrrolidinedithiocarbamate ammonium

>  <Catalog Number> (1,773)
S3633

>  <Synonyms> (1,773)
APDC, PDTC

>  <Target> (1,773)
NF-¦ÊB

>  <Form> (1,773)
ammonium salt

>  <URL> (1,773)
http://www.selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

>  <CAS Number> (1,773)
5108-96-3

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,774)
1774

>  <Formula> (1,774)
C42H68N2O16

>  <MolWeight> (1,774)
856.99312

>  <Item Name> (1,774)
Diammonium Glycyrrhizinate

>  <Catalog Number> (1,774)
S3622

>  <Synonyms> (1,774)
N/A

>  <Target> (1,774)
Others

>  <Form> (1,774)
ammonium salt 

>  <URL> (1,774)
http://www.selleckchem.com/products/diammonium-glycyrrhizinate.html

>  <CAS Number> (1,774)
79165-06-3

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/10101813032D

 47 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,775)
1775

>  <Formula> (1,775)
C37H40N2O6

>  <MolWeight> (1,775)
608.7233

>  <Item Name> (1,775)
(+)-Fangchinoline

>  <Catalog Number> (1,775)
S3611

>  <Synonyms> (1,775)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (1,775)
Others

>  <Form> (1,775)
free base

>  <URL> (1,775)
http://www.selleckchem.com/products/s-s-fangchinoline.html

>  <CAS Number> (1,775)
436-77-1

$$$$
S3613 Scoparone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,776)
1776

>  <Formula> (1,776)
C11H10O4

>  <MolWeight> (1,776)
206.1947

>  <Item Name> (1,776)
Scoparone

>  <Catalog Number> (1,776)
S3613

>  <Synonyms> (1,776)
6,7-dimethoxycoumarin, Aesculetin dimethyl ether, 6,7-Dimethylesculetin, Escoparone

>  <Target> (1,776)
Others

>  <Form> (1,776)
free base

>  <URL> (1,776)
http://www.selleckchem.com/products/scoparone.html

>  <CAS Number> (1,776)
120-08-1

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,777)
1777

>  <Formula> (1,777)
C15H18O2

>  <MolWeight> (1,777)
230.30222

>  <Item Name> (1,777)
Dehydrocostus Lactone

>  <Catalog Number> (1,777)
S3615

>  <Synonyms> (1,777)
N/A

>  <Target> (1,777)
 IKK¦Â

>  <Form> (1,777)
free base

>  <URL> (1,777)
http://www.selleckchem.com/products/dehydrocostus-lactone.html

>  <CAS Number> (1,777)
477-43-0

$$$$
S3629 Syringic acid.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.8440    2.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8476    3.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6332    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2698    2.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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M  END
>  <Mol_ID> (1,778)
1778

>  <Formula> (1,778)
C9H10O5

>  <MolWeight> (1,778)
198.1727

>  <Item Name> (1,778)
Syringic acid

>  <Catalog Number> (1,778)
S3629

>  <Synonyms> (1,778)
3,5-dimethyl ether Gallic Acid, 3,5-dimethoxy-4-hydroxy Benzoic Acid, NSC 2129, SYRA

>  <Target> (1,778)
Others

>  <Form> (1,778)
free base

>  <URL> (1,778)
http://www.selleckchem.com/products/syringic-acid.html

>  <CAS Number> (1,778)
530-57-4

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,779)
1779

>  <Formula> (1,779)
C9H10O4

>  <MolWeight> (1,779)
182.1733

>  <Item Name> (1,779)
Methyl Vanillate

>  <Catalog Number> (1,779)
S3630

>  <Synonyms> (1,779)
N/A

>  <Target> (1,779)
Wnt/¦Â-Catenin

>  <Form> (1,779)
free base

>  <URL> (1,779)
http://www.selleckchem.com/products/methyl-vanillate.html

>  <CAS Number> (1,779)
3943-74-6

$$$$
S3610 Cordycepin.cdx
csChFnd80/10101813032D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,780)
1780

>  <Formula> (1,780)
C10H13N5O3

>  <MolWeight> (1,780)
251.24192

>  <Item Name> (1,780)
Cordycepin

>  <Catalog Number> (1,780)
S3610

>  <Synonyms> (1,780)
N/A

>  <Target> (1,780)
Others

>  <Form> (1,780)
free base

>  <URL> (1,780)
http://www.selleckchem.com/products/cordycepin.html

>  <CAS Number> (1,780)
73-03-0

$$$$
S3621 Pazufloxacin (mesylate).cdx
csChFnd80/10101813032D

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    1.2090    3.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8279    6.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689    9.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1652    7.5651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    5.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6883    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    1.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0829    1.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9773    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8226    1.0873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3883    2.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3883    3.8263    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9874    3.8263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7891    3.8263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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  6 10  2  0  0  0  0
  5  7  2  0  0  0  0
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  4 13  1  0  0  0  0
  7 11  1  0  0  0  0
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 12 14  1  0  0  0  0
 11 17  2  0  0  0  0
  3 18  1  1  0  0  0
  9 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 10 20  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,781)
1781

>  <Formula> (1,781)
C17H19FN2O7S

>  <MolWeight> (1,781)
414.4053632

>  <Item Name> (1,781)
Pazufloxacin mesylate

>  <Catalog Number> (1,781)
S3621

>  <Synonyms> (1,781)
T-3762, Pazucross

>  <Target> (1,781)
Antifection

>  <Form> (1,781)
methanesulfonate

>  <URL> (1,781)
http://www.selleckchem.com/products/pazufloxacin-mesylate.html

>  <CAS Number> (1,781)
163680-77-1

$$$$
S3624 Quinolinic acid.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  4 10  1  0  0  0  0
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 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,782)
1782

>  <Formula> (1,782)
C7H5NO4

>  <MolWeight> (1,782)
167.1189

>  <Item Name> (1,782)
Quinolinic acid

>  <Catalog Number> (1,782)
S3624

>  <Synonyms> (1,782)
pyridine-2,3-dicarboxylic acid, QUIN

>  <Target> (1,782)
NMDAR

>  <Form> (1,782)
free base

>  <URL> (1,782)
http://www.selleckchem.com/products/quinolinic-acid.html

>  <CAS Number> (1,782)
89-00-9

$$$$
S3625 Tyramine.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6425    2.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    0.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    2.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    2.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4373    0.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0760    2.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2928    2.7937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,783)
1783

>  <Formula> (1,783)
C8H11NO

>  <MolWeight> (1,783)
137.17904

>  <Item Name> (1,783)
Tyramine

>  <Catalog Number> (1,783)
S3625

>  <Synonyms> (1,783)
4-hydroxyphenethylamine, para-tyramine, mydrial, uteramin

>  <Target> (1,783)
Others

>  <Form> (1,783)
free base

>  <URL> (1,783)
http://www.selleckchem.com/products/tyramine.html

>  <CAS Number> (1,783)
51-67-2

$$$$
S3626 Sesamol.cdx
csChFnd80/10101813032D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6251    0.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9535    0.2497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9693    2.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7843    1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,784)
1784

>  <Formula> (1,784)
C7H6O3

>  <MolWeight> (1,784)
138.12074

>  <Item Name> (1,784)
Sesamol

>  <Catalog Number> (1,784)
S3626

>  <Synonyms> (1,784)
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol

>  <Target> (1,784)
Others

>  <Form> (1,784)
free base

>  <URL> (1,784)
http://www.selleckchem.com/products/sesamol.html

>  <CAS Number> (1,784)
533-31-3

$$$$
S3627 Tryptamine.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    5.9680    5.5188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5444    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    3.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7534    2.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5839    1.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7686    0.2845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4343    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2266    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0095    0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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  4 12  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,785)
1785

>  <Formula> (1,785)
C10H12N2

>  <MolWeight> (1,785)
160.21568

>  <Item Name> (1,785)
Tryptamine

>  <Catalog Number> (1,785)
S3627

>  <Synonyms> (1,785)
N/A

>  <Target> (1,785)
5-HT receptor

>  <Form> (1,785)
free base

>  <URL> (1,785)
http://www.selleckchem.com/products/tryptamine.html

>  <CAS Number> (1,785)
61-54-1

$$$$
S3684 Methacholine chloride.cdx
csChFnd80/10101813032D

 12 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3725    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2746    3.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    3.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    1.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8978    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,786)
1786

>  <Formula> (1,786)
C8H18ClNO2

>  <MolWeight> (1,786)
195.68702

>  <Item Name> (1,786)
Methacholine chloride

>  <Catalog Number> (1,786)
S3684

>  <Synonyms> (1,786)
Mecholyl chloride, Acetyl-¦Â-methylcholine chloride

>  <Target> (1,786)
muscarinic receptor

>  <Form> (1,786)
chloride

>  <URL> (1,786)
http://www.selleckchem.com/products/methacholine-chloride.html

>  <CAS Number> (1,786)
62-51-1

$$$$
S3702 Dihydrothymine.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2234    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    2.1061    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4111    0.0184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4427    2.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0102    2.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6198    0.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327    2.0945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8467    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,787)
1787

>  <Formula> (1,787)
C5H8N2O2

>  <MolWeight> (1,787)
128.12922

>  <Item Name> (1,787)
Dihydrothymine

>  <Catalog Number> (1,787)
S3702

>  <Synonyms> (1,787)
N/A

>  <Target> (1,787)
Others

>  <Form> (1,787)
free base

>  <URL> (1,787)
http://www.selleckchem.com/products/dihydrothymine.html

>  <CAS Number> (1,787)
696-04-8

$$$$
S3704 4-Methylbenzylidene camphor.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.6720    5.2097    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3105    7.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8662    4.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2713    5.9096    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2747    8.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5991    7.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3413    4.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848    2.9752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5440    5.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7413    4.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4415    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8274    3.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4454    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8300    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2749    3.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
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 12 13  2  0  0  0  0
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 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (1,788)
1788

>  <Formula> (1,788)
C18H22O

>  <MolWeight> (1,788)
254.36668

>  <Item Name> (1,788)
4-Methylbenzylidene camphor

>  <Catalog Number> (1,788)
S3704

>  <Synonyms> (1,788)
Enzacamene, 4-MBC

>  <Target> (1,788)
Others

>  <Form> (1,788)
free base

>  <URL> (1,788)
http://www.selleckchem.com/products/4-methylbenzylidene-camphor.html

>  <CAS Number> (1,788)
36861-47-9

$$$$
S3732 Avibactam sodium.cdx
csChFnd80/10101813032D

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    2.4249    2.6123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    3.3123    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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    0.0000    2.6123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2120    5.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3 18  1  1  0  0  0
  2 19  1  0  0  0  0
 19  3  1  0  0  0  0
M  END
>  <Mol_ID> (1,789)
1789

>  <Formula> (1,789)
C7H10N3NaO6S

>  <MolWeight> (1,789)
287.22557

>  <Item Name> (1,789)
Avibactam sodium

>  <Catalog Number> (1,789)
S3732

>  <Synonyms> (1,789)
AVE-1330A, NXL104

>  <Target> (1,789)
 ¦Â-lactamase

>  <Form> (1,789)
sodium salt

>  <URL> (1,789)
http://www.selleckchem.com/products/avibactam-sodium.html

>  <CAS Number> (1,789)
1192491-61-4

$$$$
S3645 Kitasamycin.cdx
csChFnd80/10101813032D

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   12.1244    6.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   14.5492    6.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9220    9.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9019    9.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
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 30 25  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 28 33  1  0  0  0  0
 27 34  1  0  0  0  0
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 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
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 39 40  1  0  0  0  0
 40 35  1  0  0  0  0
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 37 43  1  0  0  0  0
 38 44  1  0  0  0  0
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 46 48  1  0  0  0  0
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  9 51  1  6  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
M  END
>  <Mol_ID> (1,790)
1790

>  <Formula> (1,790)
C40H67NO14

>  <MolWeight> (1,790)
785.95828

>  <Item Name> (1,790)
Kitasamycin

>  <Catalog Number> (1,790)
S3645

>  <Synonyms> (1,790)
leucomycin

>  <Target> (1,790)
Antifection

>  <Form> (1,790)
free base

>  <URL> (1,790)
http://www.selleckchem.com/products/kitasamycin.html

>  <CAS Number> (1,790)
1392-21-8

$$$$
S3646 Thimerosal.cdx
csChFnd80/10101813032D

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0752    2.1502    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,791)
1791

>  <Formula> (1,791)
C9H9HgNaO2S

>  <MolWeight> (1,791)
404.81133

>  <Item Name> (1,791)
Thimerosal

>  <Catalog Number> (1,791)
S3646

>  <Synonyms> (1,791)
Thiomersalate, Mercurothiolate

>  <Target> (1,791)
Antifection

>  <Form> (1,791)
sodium salt

>  <URL> (1,791)
http://www.selleckchem.com/products/thimerosal.html

>  <CAS Number> (1,791)
54-64-8

$$$$
S3675 Umbelliferone.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.6420    2.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420    0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    2.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8470    2.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2150    2.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,792)
1792

>  <Formula> (1,792)
C9H6O3

>  <MolWeight> (1,792)
162.14214

>  <Item Name> (1,792)
Umbelliferone

>  <Catalog Number> (1,792)
S3675

>  <Synonyms> (1,792)
7-hydroxycoumarin, hydrangine, skimmetine, beta-umbelliferone

>  <Target> (1,792)
Others

>  <Form> (1,792)
free base

>  <URL> (1,792)
http://www.selleckchem.com/products/umbelliferone.html

>  <CAS Number> (1,792)
93-35-6

$$$$
S3676 Carbendazim.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4531    0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  3  7  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,793)
1793

>  <Formula> (1,793)
C9H9N3O2

>  <MolWeight> (1,793)
191.18666

>  <Item Name> (1,793)
Carbendazim

>  <Catalog Number> (1,793)
S3676

>  <Synonyms> (1,793)
Mercarzole, Carbendazole

>  <Target> (1,793)
Others

>  <Form> (1,793)
free base

>  <URL> (1,793)
http://www.selleckchem.com/products/carbendazim.html

>  <CAS Number> (1,793)
10605-21-7

$$$$
S3677 Cinnamic acid.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4223    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281    0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0588    2.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0029    0.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,794)
1794

>  <Formula> (1,794)
C9H8O2

>  <MolWeight> (1,794)
148.15862

>  <Item Name> (1,794)
Cinnamic acid

>  <Catalog Number> (1,794)
S3677

>  <Synonyms> (1,794)
trans-Cinnamic acid, Phenylacrylic acid, Cinnamylic acid, 3-Phenylacrylic acid|(E)-Cinnamic acid

>  <Target> (1,794)
Others

>  <Form> (1,794)
free base

>  <URL> (1,794)
http://www.selleckchem.com/products/cinnamic-acid.html

>  <CAS Number> (1,794)
140-10-3

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/10101813032D

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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,795)
1795

>  <Formula> (1,795)
C11H8O3

>  <MolWeight> (1,795)
188.17942

>  <Item Name> (1,795)
2-Methoxy-1,4-naphthoquinone

>  <Catalog Number> (1,795)
S3661

>  <Synonyms> (1,795)
N/A

>  <Target> (1,795)
PKC

>  <Form> (1,795)
free base

>  <URL> (1,795)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

>  <CAS Number> (1,795)
2348-82-5

$$$$
S3652 3-Nitropropionic acid.cdx
csChFnd80/10101813032D

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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,796)
1796

>  <Formula> (1,796)
C3H5NO4

>  <MolWeight> (1,796)
119.0761

>  <Item Name> (1,796)
3-Nitropropionic acid

>  <Catalog Number> (1,796)
S3652

>  <Synonyms> (1,796)
¦Â-Nitropropionic Acid, 3-NP

>  <Target> (1,796)
mitochondrial respiratory Complex II succin

>  <Form> (1,796)
free base

>  <URL> (1,796)
http://www.selleckchem.com/products/3-nitropropionic-acid.html

>  <CAS Number> (1,796)
504-88-1

$$$$
S3668 Thymopentin.cdx
csChFnd80/10101813032D

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    0.0000    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,797)
1797

>  <Formula> (1,797)
C30H49N9O9

>  <MolWeight> (1,797)
679.76496

>  <Item Name> (1,797)
Thymopentin

>  <Catalog Number> (1,797)
S3668

>  <Synonyms> (1,797)
TP5

>  <Target> (1,797)
Immunology & Inflammation related

>  <Form> (1,797)
free base

>  <URL> (1,797)
http://www.selleckchem.com/products/thymopentin.html

>  <CAS Number> (1,797)
69558-55-0

$$$$
S3670 Cefsulodin (sodium).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,798)
1798

>  <Formula> (1,798)
C22H19N4NaO8S2

>  <MolWeight> (1,798)
554.52803

>  <Item Name> (1,798)
Cefsulodin sodium

>  <Catalog Number> (1,798)
S3670

>  <Synonyms> (1,798)
Sulcephalosporin

>  <Target> (1,798)
mPTPB

>  <Form> (1,798)
sodium salt

>  <URL> (1,798)
http://www.selleckchem.com/products/cefsulodin-sodium.html

>  <CAS Number> (1,798)
52152-93-9

$$$$
S3672 Cefonicid (sodium).cdx
csChFnd80/10101813032D

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 21 22  1  0  0  0  0
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  5 14  1  0  0  0  0
 10 26  2  0  0  0  0
 28 29  2  0  0  0  0
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 31 32  1  0  0  0  0
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 31 36  2  0  0  0  0
 30 31  1  0  0  0  0
 30 37  1  6  0  0  0
 27 28  1  0  0  0  0
  9 27  1  6  0  0  0
  8 38  1  1  0  0  0
M  END
>  <Mol_ID> (1,799)
1799

>  <Formula> (1,799)
C18H16N6Na2O8S3

>  <MolWeight> (1,799)
586.52958

>  <Item Name> (1,799)
Cefonicid sodium

>  <Catalog Number> (1,799)
S3672

>  <Synonyms> (1,799)
Cefonicid sodium

>  <Target> (1,799)
Antifection

>  <Form> (1,799)
disodium salt

>  <URL> (1,799)
http://www.selleckchem.com/products/cefonicid-sodium.html

>  <CAS Number> (1,799)
61270-78-8

$$$$
S3674 Levamlodipine.cdx
csChFnd80/10101813032D

 28 29  0  0  0  0  0  0  0  0999 V2000
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  5  1  2  0  0  0  0
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  2  3  1  0  0  0  0
  4  2  2  0  0  0  0
  8  2  1  0  0  0  0
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 13  4  1  0  0  0  0
  4  6  1  0  0  0  0
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 16  5  1  0  0  0  0
 12  7  2  0  0  0  0
 14  7  1  0  0  0  0
 11  8  2  0  0  0  0
 15  8  1  0  0  0  0
 10  9  1  0  0  0  0
 19  9  2  0  0  0  0
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 25 14  1  0  0  0  0
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 22 24  1  0  0  0  0
 27 23  1  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,800)
1800

>  <Formula> (1,800)
C20H25ClN2O5

>  <MolWeight> (1,800)
408.8759

>  <Item Name> (1,800)
Levamlodipine

>  <Catalog Number> (1,800)
S3674

>  <Synonyms> (1,800)
S-amlodipine

>  <Target> (1,800)
calcium channel

>  <Form> (1,800)
free base

>  <URL> (1,800)
http://www.selleckchem.com/products/levamlodipine.html

>  <CAS Number> (1,800)
103129-82-4

$$$$
S3665 Trolox.cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6386    3.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  7 10  1  0  0  0  0
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 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,801)
1801

>  <Formula> (1,801)
C14H18O4

>  <MolWeight> (1,801)
250.29032

>  <Item Name> (1,801)
Trolox

>  <Catalog Number> (1,801)
S3665

>  <Synonyms> (1,801)
N/A

>  <Target> (1,801)
Vitamin

>  <Form> (1,801)
free base

>  <URL> (1,801)
http://www.selleckchem.com/products/trolox.html

>  <CAS Number> (1,801)
53188-07-1

$$$$
S3120 Doxepin hydrochloride.cdx
csChFnd80/10101813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,802)
1802

>  <Formula> (1,802)
C19H22ClNO

>  <MolWeight> (1,802)
315.83708

>  <Item Name> (1,802)
Doxepin hydrochloride

>  <Catalog Number> (1,802)
S3120

>  <Synonyms> (1,802)
N/A

>  <Target> (1,802)
CYP2D6

>  <Form> (1,802)
hydrochloride

>  <URL> (1,802)
http://www.selleckchem.com/products/doxepin-hydrochloride-sinequan.html

>  <CAS Number> (1,802)
1229-29-4

$$$$
S3660 Uniconazole.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6377    6.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4939    8.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 11  6  1  0  0  0  0
 14 10  2  0  0  0  0
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 16 15  2  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,803)
1803

>  <Formula> (1,803)
C15H18ClN3O

>  <MolWeight> (1,803)
291.77592

>  <Item Name> (1,803)
Uniconazole

>  <Catalog Number> (1,803)
S3660

>  <Synonyms> (1,803)
S 3307D, XE 1019D

>  <Target> (1,803)
cytochrome P450 707As

>  <Form> (1,803)
free base

>  <URL> (1,803)
http://www.selleckchem.com/products/uniconazole.html

>  <CAS Number> (1,803)
83657-22-1

$$$$
S3690 Pargyline (hydrochloride).cdx
csChFnd80/10101813032D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4200    3.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324    4.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264    4.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    3.4777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0071    3.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0585    4.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583    1.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2708    0.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  8 11  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (1,804)
1804

>  <Formula> (1,804)
C11H14ClN

>  <MolWeight> (1,804)
195.68856

>  <Item Name> (1,804)
Pargyline hydrochloride

>  <Catalog Number> (1,804)
S3690

>  <Synonyms> (1,804)
Pargylamine hydrochloride

>  <Target> (1,804)
monoamine oxidase (MAO)-B

>  <Form> (1,804)
hydrochloride 

>  <URL> (1,804)
http://www.selleckchem.com/products/pargyline-hydrochloride.html

>  <CAS Number> (1,804)
306-07-0

$$$$
S3693 2,6-Dihydroxypurine.cdx
csChFnd80/10101813032D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  7  9  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,805)
1805

>  <Formula> (1,805)
C5H4N4O2

>  <MolWeight> (1,805)
152.11086

>  <Item Name> (1,805)
2,6-Dihydroxypurine

>  <Catalog Number> (1,805)
S3693

>  <Synonyms> (1,805)
xanthine, Isoxanthine

>  <Target> (1,805)
Others

>  <Form> (1,805)
free base

>  <URL> (1,805)
http://www.selleckchem.com/products/2-6-dihydroxypurine.html

>  <CAS Number> (1,805)
69-89-6

$$$$
S3688 2,4-Diamino-6-hydroxypyrimidine.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
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  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,806)
1806

>  <Formula> (1,806)
C4H6N4O

>  <MolWeight> (1,806)
126.11664

>  <Item Name> (1,806)
2,4-Diamino-6-hydroxypyrimidine

>  <Catalog Number> (1,806)
S3688

>  <Synonyms> (1,806)
DAHP

>  <Target> (1,806)
GTP cyclohydrolase I

>  <Form> (1,806)
free base

>  <URL> (1,806)
http://www.selleckchem.com/products/2-4-diamino-6-hydroxypyrimidine.html

>  <CAS Number> (1,806)
56-06-4

$$$$
S3713 Moxidectin.cdx
csChFnd80/10101813032D

 48 52  0  0  0  0  0  0  0  0999 V2000
    8.4539   10.0509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6708    9.1616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1968   11.0738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2370    7.9647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0202   10.0509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.1146    9.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2637   10.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
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  9 15  1  0  0  0  0
  9 12  1  0  0  0  0
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 31 34  1  0  0  0  0
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 43 48  1  0  0  0  0
M  END
>  <Mol_ID> (1,807)
1807

>  <Formula> (1,807)
C37H53NO8

>  <MolWeight> (1,807)
639.81862

>  <Item Name> (1,807)
Moxidectin

>  <Catalog Number> (1,807)
S3713

>  <Synonyms> (1,807)
milbemycin B

>  <Target> (1,807)
Antifection

>  <Form> (1,807)
free base

>  <URL> (1,807)
http://www.selleckchem.com/products/moxidectin.html

>  <CAS Number> (1,807)
113507-06-5

$$$$
S3671 Quinestrol.cdx
csChFnd80/10101813032D

 30 34  0  0  0  0  0  0  0  0999 V2000
   10.7224    2.7694    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7224    4.1486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5014    2.0743    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1527    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9375    4.8383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5014    4.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7224    5.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2861    2.7694    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5014    0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1527    4.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0906    5.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6833    6.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2861    4.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0710    2.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2861    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2436    6.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,808)
1808

>  <Formula> (1,808)
C25H32O2

>  <MolWeight> (1,808)
364.52038

>  <Item Name> (1,808)
Quinestrol

>  <Catalog Number> (1,808)
S3671

>  <Synonyms> (1,808)
Ethinylestradiol 3-cyclopentyl ether, EE2CPE, W-3566

>  <Target> (1,808)
Estrogen/progestogen Receptor

>  <Form> (1,808)
free base

>  <URL> (1,808)
http://www.selleckchem.com/products/quinestrol.html

>  <CAS Number> (1,808)
152-43-2

$$$$
Iopromide.cdx
csChFnd80/10101813032D

 32 32  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (1,809)
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>  <Item Name> (1,809)
Iopromide

>  <Catalog Number> (1,809)
S3207

>  <Synonyms> (1,809)
N/A

>  <Target> (1,809)
Others

>  <Form> (1,809)
free base

>  <URL> (1,809)
http://www.selleckchem.com/products/iopromide.html

>  <CAS Number> (1,809)
73334-07-3

$$$$
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csChFnd80/10101813032D

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>  <Mol_ID> (1,810)
1810

>  <Formula> (1,810)
C26H32N4O4S

>  <MolWeight> (1,810)
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>  <Item Name> (1,810)
Selexipag

>  <Catalog Number> (1,810)
S3726

>  <Synonyms> (1,810)
NS-304, ACT-293987

>  <Target> (1,810)
prostacyclin IP receptor

>  <Form> (1,810)
free base

>  <URL> (1,810)
http://www.selleckchem.com/products/selexipag.html

>  <CAS Number> (1,810)
475086-01-2

$$$$
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>  <Mol_ID> (1,811)
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>  <Formula> (1,811)
C38H50N6O9S

>  <MolWeight> (1,811)
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>  <Item Name> (1,811)
Grazoprevir

>  <Catalog Number> (1,811)
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>  <Synonyms> (1,811)
MK5172

>  <Target> (1,811)
Hepatitis C Virus NS3/4A Protease

>  <Form> (1,811)
free base

>  <URL> (1,811)
http://www.selleckchem.com/products/grazoprevir.html

>  <CAS Number> (1,811)
1350514-68-9

$$$$
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M  END
>  <Mol_ID> (1,812)
1812

>  <Formula> (1,812)
C19H16N2O2S2

>  <MolWeight> (1,812)
368.47254

>  <Item Name> (1,812)
ELR-510444

>  <Catalog Number> (1,812)
S3725

>  <Synonyms> (1,812)
N/A

>  <Target> (1,812)
microtubule

>  <Form> (1,812)
free base

>  <URL> (1,812)
http://www.selleckchem.com/products/elr-510444.html

>  <CAS Number> (1,812)
1233948-35-0

$$$$
S3731 Tipiracil hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,813)
1813

>  <Formula> (1,813)
C9H12Cl2N4O2

>  <MolWeight> (1,813)
279.12318

>  <Item Name> (1,813)
Tipiracil hydrochloride

>  <Catalog Number> (1,813)
S3731

>  <Synonyms> (1,813)
MA-1 hydrochloride

>  <Target> (1,813)
thymidine phosphorylase

>  <Form> (1,813)
hydrochloride

>  <URL> (1,813)
http://www.selleckchem.com/products/tipiracil-hydrochloride.html

>  <CAS Number> (1,813)
183204-72-0

$$$$
S3635 Medroxyprogesterone.cdx
csChFnd80/10101813032D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0716    3.4967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2802    4.2001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3 25  1  6  0  0  0
  1 26  1  1  0  0  0
  5 27  1  1  0  0  0
  2 28  1  6  0  0  0
M  END
>  <Mol_ID> (1,814)
1814

>  <Formula> (1,814)
C22H32O3

>  <MolWeight> (1,814)
344.48768

>  <Item Name> (1,814)
Medroxyprogesterone

>  <Catalog Number> (1,814)
S3635

>  <Synonyms> (1,814)
MP

>  <Target> (1,814)
progesterone receptor

>  <Form> (1,814)
free base

>  <URL> (1,814)
http://www.selleckchem.com/products/medroxyprogesterone.html

>  <CAS Number> (1,814)
520-85-4

$$$$
S3636 Cefadroxil (hydrate).cdx
csChFnd80/10101813032D

 27 28  0  0  0  0  0  0  0  0999 V2000
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    9.7837    4.1728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0432    2.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1837    2.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4000    1.8972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,815)
1815

>  <Formula> (1,815)
C16H19N3O6S

>  <MolWeight> (1,815)
381.40356

>  <Item Name> (1,815)
Cefadroxil hydrate

>  <Catalog Number> (1,815)
S3636

>  <Synonyms> (1,815)
N/A

>  <Target> (1,815)
Antifection

>  <Form> (1,815)
hydrate

>  <URL> (1,815)
http://www.selleckchem.com/products/cefadroxil-hydrate.html

>  <CAS Number> (1,815)
66592-87-8

$$$$
S3637 Cefpirome (sulfate).cdx
csChFnd80/10101813032D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,816)
1816

>  <Formula> (1,816)
C22H24N6O9S3

>  <MolWeight> (1,816)
612.65576

>  <Item Name> (1,816)
Cefpirome sulfate

>  <Catalog Number> (1,816)
S3637

>  <Synonyms> (1,816)
N/A

>  <Target> (1,816)
Antifection

>  <Form> (1,816)
sulfate

>  <URL> (1,816)
http://www.selleckchem.com/products/cefpirome-sulfate.html

>  <CAS Number> (1,816)
98753-19-6

$$$$
S3638 Cefamandole (nafate).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,817)
1817

>  <Formula> (1,817)
C19H17N6NaO6S2

>  <MolWeight> (1,817)
512.49465

>  <Catalog Number> (1,817)
S3638

>  <Synonyms> (1,817)
N/A

>  <Target> (1,817)
penicillin-binding proteins

>  <Form> (1,817)
sodium salt

>  <URL> (1,817)
http://www.selleckchem.com/products/cefamandole-nafate.html

>  <CAS Number> (1,817)
42540-40-9

$$$$
S3640 Methoxyphenamine (Hydrochloride).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,818)
1818

>  <Formula> (1,818)
C11H18ClNO

>  <MolWeight> (1,818)
215.71972

>  <Item Name> (1,818)
Methoxyphenamine Hydrochloride

>  <Catalog Number> (1,818)
S3640

>  <Synonyms> (1,818)
2-methoxy-N-methylamphetamine Hydrochloride, OMMA Hydrochloride

>  <Target> (1,818)
 ¦Â-adrenergic receptor

>  <Form> (1,818)
hydrochloride

>  <URL> (1,818)
http://www.selleckchem.com/products/methoxyphenamine-hydrochloride.html

>  <CAS Number> (1,818)
5588-10-3

$$$$
S3641 Osalmid.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,819)
1819

>  <Formula> (1,819)
C13H11NO3

>  <MolWeight> (1,819)
229.23134

>  <Item Name> (1,819)
Osalmid

>  <Catalog Number> (1,819)
S3641

>  <Synonyms> (1,819)
N/A

>  <Target> (1,819)
ribonucleotide reductase

>  <Form> (1,819)
free base

>  <URL> (1,819)
http://www.selleckchem.com/products/osalmid.html

>  <CAS Number> (1,819)
526-18-1

$$$$
S3644 Sulfamonomethoxine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,820)
1820

>  <Formula> (1,820)
C11H12N4O3S

>  <MolWeight> (1,820)
280.30298

>  <Item Name> (1,820)
Sulfamonomethoxine

>  <Catalog Number> (1,820)
S3644

>  <Synonyms> (1,820)
N/A

>  <Target> (1,820)
Antifection

>  <Form> (1,820)
free base

>  <URL> (1,820)
http://www.selleckchem.com/products/sulfamonomethoxine.html

>  <CAS Number> (1,820)
1220-83-3

$$$$
S3647 Mafenide (Acetate).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,821)
1821

>  <Formula> (1,821)
C9H14N2O4S

>  <MolWeight> (1,821)
246.28346

>  <Item Name> (1,821)
Mafenide Acetate

>  <Catalog Number> (1,821)
S3647

>  <Synonyms> (1,821)
N/A

>  <Target> (1,821)
carbonic anhydrase

>  <Form> (1,821)
acetate

>  <URL> (1,821)
http://www.selleckchem.com/products/mafenide-acetate.html

>  <CAS Number> (1,821)
13009-99-9

$$$$
S3648 Amlexanox.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,822)
1822

>  <Formula> (1,822)
C16H14N2O4

>  <MolWeight> (1,822)
298.29336

>  <Item Name> (1,822)
Amlexanox

>  <Catalog Number> (1,822)
S3648

>  <Synonyms> (1,822)
AA-673, CHX-3673

>  <Target> (1,822)
TBK1,IKK-¦Å

>  <Form> (1,822)
free base

>  <URL> (1,822)
http://www.selleckchem.com/products/amlexanox.html

>  <CAS Number> (1,822)
68302-57-8

$$$$
S3651 4-Amino-5-imidazolecarboxamide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,823)
1823

>  <Formula> (1,823)
C4H6N4O

>  <MolWeight> (1,823)
126.11664

>  <Item Name> (1,823)
4-Amino-5-imidazolecarboxamide

>  <Catalog Number> (1,823)
S3651

>  <Synonyms> (1,823)
N/A

>  <Target> (1,823)
Others

>  <Form> (1,823)
free base

>  <URL> (1,823)
http://www.selleckchem.com/products/4-amino-5-imidazolecarboxamide.html

>  <CAS Number> (1,823)
360-97-4

$$$$
S3727 Vilanterol Trifenate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,824)
1824

>  <Formula> (1,824)
C44H49Cl2NO7

>  <MolWeight> (1,824)
774.76836

>  <Item Name> (1,824)
Vilanterol Trifenate

>  <Catalog Number> (1,824)
S3727

>  <Synonyms> (1,824)
GW642444M Trifenate

>  <Target> (1,824)
¦Â2-adrenoceptor

>  <Form> (1,824)
trifenatate

>  <URL> (1,824)
http://www.selleckchem.com/products/vilanterol-trifenate.html

>  <CAS Number> (1,824)
503070-58-4

$$$$
S3655 Cefepime (Dihydrochloride Monohydrate).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,825)
1825

>  <Formula> (1,825)
C19H28Cl2N6O6S2

>  <MolWeight> (1,825)
571.49822

>  <Item Name> (1,825)
Cefepime Dihydrochloride Monohydrate

>  <Catalog Number> (1,825)
S3655

>  <Synonyms> (1,825)
N/A

>  <Target> (1,825)
Antifection

>  <Form> (1,825)
dihydrochloride hydrate

>  <URL> (1,825)
http://www.selleckchem.com/products/cefepime-dihydrochloride-monohydrate.html

>  <CAS Number> (1,825)
123171-59-5

$$$$
S3656 Piribedil.cdx
csChFnd80/10101813032D

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 18 20  2  0  0  0  0
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 20 22  1  0  0  0  0
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M  END
>  <Mol_ID> (1,826)
1826

>  <Formula> (1,826)
C16H18N4O2

>  <MolWeight> (1,826)
298.33972

>  <Item Name> (1,826)
Piribedil

>  <Catalog Number> (1,826)
S3656

>  <Synonyms> (1,826)
Trivastal, Trivastan

>  <Target> (1,826)
D3 receptor,adrenoceptor ¦Á2,D2 receptor

>  <Form> (1,826)
free base

>  <URL> (1,826)
http://www.selleckchem.com/products/piribedil.html

>  <CAS Number> (1,826)
3605-01-4

$$$$
S3657 Promestriene.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,827)
1827

>  <Formula> (1,827)
C22H32O2

>  <MolWeight> (1,827)
328.48828

>  <Item Name> (1,827)
Promestriene

>  <Catalog Number> (1,827)
S3657

>  <Synonyms> (1,827)
3-propyl ethyl, 17B-methyl estradiol

>  <Target> (1,827)
Estrogen Receptor

>  <Form> (1,827)
free base

>  <URL> (1,827)
http://www.selleckchem.com/products/promestriene.html

>  <CAS Number> (1,827)
39219-28-8

$$$$
S3658 O6-Benzylguanine.cdx
csChFnd80/10101813032D

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    1.2201    2.0869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9604    0.2725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7737    1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,828)
1828

>  <Formula> (1,828)
C12H11N5O

>  <MolWeight> (1,828)
241.24864

>  <Item Name> (1,828)
O6-Benzylguanine

>  <Catalog Number> (1,828)
S3658

>  <Synonyms> (1,828)
O6-BG

>  <Target> (1,828)
O6-alkylguanine DNA alkyltransferase

>  <Form> (1,828)
free base

>  <URL> (1,828)
http://www.selleckchem.com/products/o6-benzylguanine.html

>  <CAS Number> (1,828)
19916-73-5

$$$$
S3659 Fludrocortisone (acetate).cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.8356    2.7560    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6921    2.0803    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0315    2.0803    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,829)
1829

>  <Formula> (1,829)
C23H31FO6

>  <MolWeight> (1,829)
422.4870432

>  <Item Name> (1,829)
Fludrocortisone acetate

>  <Catalog Number> (1,829)
S3659

>  <Synonyms> (1,829)
9¦Á-fluorocortisol acetate

>  <Target> (1,829)
others

>  <Form> (1,829)
free base

>  <URL> (1,829)
http://www.selleckchem.com/products/fludrocortisone-acetate.html

>  <CAS Number> (1,829)
514-36-3

$$$$
S3663 Afloqualone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,830)
1830

>  <Formula> (1,830)
C16H14FN3O

>  <MolWeight> (1,830)
283.3002632

>  <Item Name> (1,830)
Afloqualone

>  <Catalog Number> (1,830)
S3663

>  <Synonyms> (1,830)
HQ-495

>  <Target> (1,830)
GABAA ¦Â receptor

>  <Form> (1,830)
free base

>  <URL> (1,830)
http://www.selleckchem.com/products/afloqualone.html

>  <CAS Number> (1,830)
56287-74-2

$$$$
S3673 Sulfaphenazole.cdx
csChFnd80/10101813032D

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  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,831)
1831

>  <Formula> (1,831)
C15H14N4O2S

>  <MolWeight> (1,831)
314.36226

>  <Item Name> (1,831)
Sulfaphenazole

>  <Catalog Number> (1,831)
S3673

>  <Synonyms> (1,831)
Depocid, Depotsulfonamide, Plisulfan, Raziosulfa

>  <Target> (1,831)
CYP2C9

>  <Form> (1,831)
free base

>  <URL> (1,831)
http://www.selleckchem.com/products/sulfaphenazole.html

>  <CAS Number> (1,831)
526-08-9

$$$$
S3695 Cystamine dihydrochloride.cdx
csChFnd80/10101813032D

 10  7  0  0  0  0  0  0  0  0999 V2000
    5.3463    0.7971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5159    0.0626    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1177    0.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7480    0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6846    0.1984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1776    0.6649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.8646    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8646    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,832)
1832

>  <Formula> (1,832)
C4H14Cl2N2S2

>  <MolWeight> (1,832)
225.20336

>  <Item Name> (1,832)
Cystamine dihydrochloride

>  <Catalog Number> (1,832)
S3695

>  <Synonyms> (1,832)
Decarboxycystine dihydrochloride, 2-Aminoethyl disulfide dihydrochloride

>  <Target> (1,832)
Antifection

>  <Form> (1,832)
dihydrochloride

>  <URL> (1,832)
http://www.selleckchem.com/products/cystamine-dihydrochloride.html

>  <CAS Number> (1,832)
56-17-7

$$$$
S3742 Cholic acid.cdx
csChFnd80/10101813032D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6060    3.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4289    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6060    5.3326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0387    6.6640    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3909    7.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7534    8.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1057    8.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0487    7.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0955    7.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4680   10.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  6  0  0  0
 15 21  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 11 26  1  0  0  0  0
 26 27  1  0  0  0  0
  1 27  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  1  1  0  0  0
 19 29  2  0  0  0  0
 19 30  1  0  0  0  0
 26 31  1  6  0  0  0
 11 32  1  1  0  0  0
 12 33  1  6  0  0  0
M  END
>  <Mol_ID> (1,833)
1833

>  <Formula> (1,833)
C24H40O5

>  <MolWeight> (1,833)
408.5714

>  <Item Name> (1,833)
Cholic acid

>  <Catalog Number> (1,833)
S3742

>  <Synonyms> (1,833)
N/A

>  <Target> (1,833)
Others

>  <Form> (1,833)
free base

>  <URL> (1,833)
http://www.selleckchem.com/products/cholic-acid.html

>  <CAS Number> (1,833)
81-25-4

$$$$
S3683 Methylmalonate.cdx
csChFnd80/10101813032D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,834)
1834

>  <Formula> (1,834)
C4H6O4

>  <MolWeight> (1,834)
118.08804

>  <Item Name> (1,834)
Methylmalonate

>  <Catalog Number> (1,834)
S3683

>  <Synonyms> (1,834)
Isosuccinic Acid, NSC 25201, MMA

>  <Target> (1,834)
Others

>  <Form> (1,834)
free base

>  <URL> (1,834)
http://www.selleckchem.com/products/methylmalonate.html

>  <CAS Number> (1,834)
516-05-2

$$$$
S3711 Carbasalate Calcium.cdx
csChFnd80/10101813032D

 31 31  0  0  0  0  0  0  0  0999 V2000
   10.5758    5.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5758    4.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3255    6.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8365    6.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8365    3.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3255    3.8336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    6.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3255    8.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0195    5.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0195    4.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3255    2.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3960    7.0214    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
   10.5758    1.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    1.7204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8151    6.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    6.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4178    6.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4178    4.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    6.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    4.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6424    2.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4178    1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8151    1.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7962    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
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 15 16  1  0  0  0  0
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 16 18  2  0  0  0  0
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 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,835)
1835

>  <Formula> (1,835)
C19H18CaN2O9

>  <MolWeight> (1,835)
458.43222

>  <Item Name> (1,835)
Carbasalate Calcium

>  <Catalog Number> (1,835)
S3711

>  <Synonyms> (1,835)
Iromin, Alcacyl, Omegin, Rheomin, Solupsan

>  <Target> (1,835)
platelet aggregation

>  <Form> (1,835)
calcium salt

>  <URL> (1,835)
http://www.selleckchem.com/products/carbasalate-calcium.html

>  <CAS Number> (1,835)
5749-67-7

$$$$
S3743 Oxiglutatione.cdx
csChFnd80/10101813032D

 40 39  0  0  0  0  0  0  0  0999 V2000
    9.6995    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,836)
1836

>  <Formula> (1,836)
C20H32N6O12S2

>  <MolWeight> (1,836)
612.63108

>  <Item Name> (1,836)
Oxiglutatione

>  <Catalog Number> (1,836)
S3743

>  <Synonyms> (1,836)
Oxidized glutathione, Glutathione disulfide, GSSG, Bi(glutathion-S-yl)

>  <Target> (1,836)
Others

>  <Form> (1,836)
free base

>  <URL> (1,836)
http://www.selleckchem.com/products/oxiglutatione.html

>  <CAS Number> (1,836)
27025-41-8

$$$$
S3653 Spermidine trihydrochloride.cdx
csChFnd80/10101813032D

 13  9  0  0  0  0  0  0  0  0999 V2000
    6.3484    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,837)
1837

>  <Formula> (1,837)
C7H22Cl3N3

>  <MolWeight> (1,837)
254.62868

>  <Item Name> (1,837)
Spermidine trihydrochloride

>  <Catalog Number> (1,837)
S3653

>  <Synonyms> (1,837)
 	4-Azaoctamethylenediamine trihydrochloride

>  <Target> (1,837)
NMDAR,Autophagy

>  <Form> (1,837)
trihydrochloride

>  <URL> (1,837)
http://www.selleckchem.com/products/spermidine-trihydrochloride.html

>  <CAS Number> (1,837)
334-50-9

$$$$
S3705 Chlorobutanol.cdx
csChFnd80/10101813032D

  8  7  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  2  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,838)
1838

>  <Formula> (1,838)
C4H7Cl3O

>  <MolWeight> (1,838)
177.45678

>  <Item Name> (1,838)
Chlorobutanol

>  <Catalog Number> (1,838)
S3705

>  <Synonyms> (1,838)
Chlorbutol, Chloreton, Chloretone, Chlortran|

>  <Target> (1,838)
Antifection

>  <Form> (1,838)
free base

>  <URL> (1,838)
http://www.selleckchem.com/products/chlorobutanol.html

>  <CAS Number> (1,838)
57-15-8

$$$$
S3717 Testosterone Enanthate.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    4.8289    2.8216    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,839)
1839

>  <Formula> (1,839)
C26H40O3

>  <MolWeight> (1,839)
400.594

>  <Item Name> (1,839)
Testosterone Enanthate

>  <Catalog Number> (1,839)
S3717

>  <Synonyms> (1,839)
Testosterone heptanoate, NSC-17591

>  <Target> (1,839)
androgen receptor

>  <Form> (1,839)
free base

>  <URL> (1,839)
http://www.selleckchem.com/products/testosterone-enanthate.html

>  <CAS Number> (1,839)
315-37-7

$$$$
S3714 Lifitegrast.cdx
csChFnd80/10101813032D

 41 45  0  0  0  0  0  0  0  0999 V2000
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,840)
1840

>  <Formula> (1,840)
C29H24Cl2N2O7S

>  <MolWeight> (1,840)
615.48106

>  <Item Name> (1,840)
Lifitegrast

>  <Catalog Number> (1,840)
S3714

>  <Synonyms> (1,840)
SAR1118

>  <Target> (1,840)
Integrin

>  <Form> (1,840)
free base

>  <URL> (1,840)
http://www.selleckchem.com/products/lifitegrast.html

>  <CAS Number> (1,840)
1025967-78-5

$$$$
S3718 Leuprolide Acetate.cdx
csChFnd80/10101813032D

 91 95  0  0  0  0  0  0  0  0999 V2000
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>  <Target> (1,841)
GnRHR

>  <Form> (1,841)
acetate

>  <URL> (1,841)
http://www.selleckchem.com/products/leuprolide-acetate.html

>  <CAS Number> (1,841)
74381-53-6

$$$$
S3719 Topiroxostat.cdx
csChFnd80/10101813032D

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1842

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C13H8N6

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Topiroxostat

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N/A

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XOR

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free base

>  <URL> (1,842)
http://www.selleckchem.com/products/topiroxostat.html

>  <CAS Number> (1,842)
577778-58-6

$$$$
S3720 Elafibranor.cdx
csChFnd80/10101813032D

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PPAR¦Á,PPAR¦Ä

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free base

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http://www.selleckchem.com/products/elafibranor.html

>  <CAS Number> (1,843)
923978-27-2

$$$$
S3722 Isavuconazole.cdx
csChFnd80/10101813032D

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   12.3003    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8120    5.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2837    8.7904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0713    9.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0309    8.5536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6003    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9927    7.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  3  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  2  7  1  0  0  0  0
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 12 13  2  0  0  0  0
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 16 15  1  0  0  0  0
 11  5  1  0  0  0  0
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 16 30  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 31 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,844)
1844

>  <Formula> (1,844)
C22H17F2N5OS

>  <MolWeight> (1,844)
437.4650864

>  <Item Name> (1,844)
Isavuconazole

>  <Catalog Number> (1,844)
S3722

>  <Synonyms> (1,844)
BAL-4815, RO-0094815

>  <Target> (1,844)
Antifection

>  <Form> (1,844)
free base

>  <URL> (1,844)
http://www.selleckchem.com/products/isavuconazole.html

>  <CAS Number> (1,844)
241479-67-4

$$$$
S3723 Ramosetron  Hydrochloride.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.7486    2.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0277    3.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2402    2.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8973    4.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4485    3.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0256    3.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4273    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
 10  5  1  6  0  0  0
  5 11  2  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,845)
1845

>  <Formula> (1,845)
C17H18ClN3O

>  <MolWeight> (1,845)
315.79732

>  <Item Name> (1,845)
Ramosetron Hydrochloride

>  <Catalog Number> (1,845)
S3723

>  <Synonyms> (1,845)
YM-060

>  <Target> (1,845)
5-HT3 receptor

>  <Form> (1,845)
hydrochloride

>  <URL> (1,845)
http://www.selleckchem.com/products/ramosetron-hydrochloride.html

>  <CAS Number> (1,845)
132907-72-3

$$$$
S3724 Velpatasvir.cdx
csChFnd80/10101813032D

 65 73  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124   10.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.8239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497   10.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.2239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   21.1523    5.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 62 65  2  0  0  0  0
M  END
>  <Mol_ID> (1,846)
1846

>  <Formula> (1,846)
C49H54N8O8

>  <MolWeight> (1,846)
883.00186

>  <Item Name> (1,846)
Velpatasvir

>  <Catalog Number> (1,846)
S3724

>  <Synonyms> (1,846)
GS-5816

>  <Target> (1,846)
NS5A

>  <Form> (1,846)
free base

>  <URL> (1,846)
http://www.selleckchem.com/products/velpatasvir.html

>  <CAS Number> (1,846)
1377049-84-7

$$$$
S3735 Umeclidinium bromide.cdx
csChFnd80/10101813032D

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  9 10  1  0  0  0  0
 13 14  1  0  0  0  0
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 13 18  2  0  0  0  0
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 11 12  1  0  0  0  0
 10 11  1  0  0  0  0
  1  9  1  0  0  0  0
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 26 31  2  0  0  0  0
 19 26  1  0  0  0  0
 19 32  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,847)
1847

>  <Formula> (1,847)
C29H34BrNO2

>  <MolWeight> (1,847)
508.48976

>  <Item Name> (1,847)
Umeclidinium bromide

>  <Catalog Number> (1,847)
S3735

>  <Synonyms> (1,847)
N/A

>  <Target> (1,847)
mAChR

>  <Form> (1,847)
bromide

>  <URL> (1,847)
http://www.selleckchem.com/products/umeclidinium-bromide.html

>  <CAS Number> (1,847)
869113-09-7

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/10101813032D

 30 27  0  0  0  0  0  0  0  0999 V2000
    2.4236    2.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2115    4.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6360    0.0749    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   18.3855    6.3438    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (1,848)
1848

>  <Formula> (1,848)
C17H17N3Na2O8

>  <MolWeight> (1,848)
437.31172

>  <Item Name> (1,848)
Balsalazide disodium

>  <Catalog Number> (1,848)
S3745

>  <Synonyms> (1,848)
N/A

>  <Target> (1,848)
Immunology & Inflammation related

>  <Form> (1,848)
disodium salt dihydrate

>  <URL> (1,848)
http://www.selleckchem.com/products/balsalazide-disodium.html

>  <CAS Number> (1,848)
150399-21-6

$$$$
S3746 Lumefantrine.cdx
csChFnd80/10101813032D

 35 38  0  0  0  0  0  0  0  0999 V2000
    8.2154    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5239    6.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7170    4.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2201    7.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7211    4.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0368    9.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014    2.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6610    5.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3221    8.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3422    9.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523   10.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
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  2  5  1  0  0  0  0
 10  3  1  0  0  0  0
  5  4  2  0  0  0  0
 12  4  1  0  0  0  0
  9  5  1  0  0  0  0
  8  6  1  0  0  0  0
  6 11  2  0  0  0  0
 15  7  1  0  0  0  0
 14  8  1  0  0  0  0
 20  8  1  0  0  0  0
 18  9  2  0  0  0  0
 13 10  2  0  0  0  0
 11 13  1  0  0  0  0
 17 12  2  0  0  0  0
 21 13  1  0  0  0  0
 16 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 15  2  0  0  0  0
 28 16  1  0  0  0  0
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 22 17  1  0  0  0  0
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 19 27  2  0  0  0  0
 23 19  1  0  0  0  0
 26 19  1  0  0  0  0
 26 24  2  0  0  0  0
 27 25  1  0  0  0  0
 31 28  1  0  0  0  0
 30 29  1  0  0  0  0
 33 30  1  0  0  0  0
 32 31  1  0  0  0  0
 35 32  1  0  0  0  0
 34 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,849)
1849

>  <Formula> (1,849)
C30H32Cl3NO

>  <MolWeight> (1,849)
528.94018

>  <Item Name> (1,849)
Lumefantrine

>  <Catalog Number> (1,849)
S3746

>  <Synonyms> (1,849)
benflumetol

>  <Target> (1,849)
Antifection

>  <Form> (1,849)
free base

>  <URL> (1,849)
http://www.selleckchem.com/products/lumefantrine.html

>  <CAS Number> (1,849)
82186-77-4

$$$$
S3682 Ethyl 3-Aminobenzoate methanesulfonate.cdx
csChFnd80/10101813032D

 17 16  0  0  0  0  0  0  0  0999 V2000
    2.4398    3.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    4.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4383    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    4.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8645    3.5101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    5.6103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0089    3.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0770    4.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2894    3.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3468    1.5003    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9468    1.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7468    1.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3537    0.1003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3399    2.9003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,850)
1850

>  <Formula> (1,850)
C10H15NO5S

>  <MolWeight> (1,850)
261.2948

>  <Item Name> (1,850)
Ethyl 3-Aminobenzoate methanesulfonate

>  <Catalog Number> (1,850)
S3682

>  <Synonyms> (1,850)
Ethyl m-Aminobenzoate, NSC 93790, Tricaine methanesulfonate

>  <Target> (1,850)
voltage-dependent Na+-channels

>  <Form> (1,850)
methanesulfonate

>  <URL> (1,850)
http://www.selleckchem.com/products/ethyl-3-aminobenzoate-methanesulfonate.html

>  <CAS Number> (1,850)
886-86-2

$$$$
S3689 Ethidium bromide.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  1  0  0  0  0
 13 19  1  0  0  0  0
 14 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,851)
1851

>  <Formula> (1,851)
C21H20BrN3

>  <MolWeight> (1,851)
394.3076

>  <Item Name> (1,851)
Ethidium bromide

>  <Catalog Number> (1,851)
S3689

>  <Synonyms> (1,851)
Homidium bromide, EtBr, EB

>  <Target> (1,851)
Others

>  <Form> (1,851)
bromide

>  <URL> (1,851)
http://www.selleckchem.com/products/ethidium-bromide.html

>  <CAS Number> (1,851)
1239-45-8

$$$$
S3706 Sarpogrelate hydrochloride.cdx
csChFnd80/10101813032D

 32 32  0  0  0  0  0  0  0  0999 V2000
   10.9123    2.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1314    2.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7103    2.8652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1314    4.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3507    2.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5348    2.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,852)
1852

>  <Formula> (1,852)
C24H32ClNO6

>  <MolWeight> (1,852)
465.96698

>  <Item Name> (1,852)
Sarpogrelate hydrochloride

>  <Catalog Number> (1,852)
S3706

>  <Synonyms> (1,852)
MCI-9042

>  <Target> (1,852)
5-HT2A, 5-HT2C, 5-HT2B

>  <Form> (1,852)
hydrochloride

>  <URL> (1,852)
http://www.selleckchem.com/products/sarpogrelate-hydrochloride.html

>  <CAS Number> (1,852)
135159-51-2

$$$$
S3707 Ethopabate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,853)
1853

>  <Formula> (1,853)
C12H15NO4

>  <MolWeight> (1,853)
237.2518

>  <Item Name> (1,853)
Ethopabate

>  <Catalog Number> (1,853)
S3707

>  <Synonyms> (1,853)
Ethyl pabate

>  <Target> (1,853)
Antifection

>  <Form> (1,853)
free base

>  <URL> (1,853)
http://www.selleckchem.com/products/ethopabate.html

>  <CAS Number> (1,853)
59-06-3

$$$$
S3708 Sulfachloropyridazine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,854)
1854

>  <Formula> (1,854)
C10H9ClN4O2S

>  <MolWeight> (1,854)
284.72206

>  <Item Name> (1,854)
Sulfachloropyridazine

>  <Catalog Number> (1,854)
S3708

>  <Synonyms> (1,854)
N/A

>  <Target> (1,854)
Antifection

>  <Form> (1,854)
free base

>  <URL> (1,854)
http://www.selleckchem.com/products/sulfachloropyridazine.html

>  <CAS Number> (1,854)
80-32-0

$$$$
S3709 Furagin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,855)
1855

>  <Formula> (1,855)
C10H8N4O5

>  <MolWeight> (1,855)
264.19432

>  <Item Name> (1,855)
Furagin

>  <Catalog Number> (1,855)
S3709

>  <Synonyms> (1,855)
NF-416, F-35, Akritoin, Furazidin, Furazidine

>  <Target> (1,855)
Antifection

>  <Form> (1,855)
free base

>  <URL> (1,855)
http://www.selleckchem.com/products/furagin.html

>  <CAS Number> (1,855)
1672-88-4

$$$$
S3716 Flibanserin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,856)
1856

>  <Formula> (1,856)
C20H21F3N4O

>  <MolWeight> (1,856)
390.4021496

>  <Item Name> (1,856)
Flibanserin

>  <Catalog Number> (1,856)
S3716

>  <Synonyms> (1,856)
BIMT-17, BIMT-17-BS

>  <Target> (1,856)
5-HT1A receptor.D4 receptor,5-HT2A receptor

>  <Form> (1,856)
free base

>  <URL> (1,856)
http://www.selleckchem.com/products/flibanserin.html

>  <CAS Number> (1,856)
167933-07-5

$$$$
S3739 Calcipotriene.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,857)
1857

>  <Formula> (1,857)
C27H40O3

>  <MolWeight> (1,857)
412.6047

>  <Item Name> (1,857)
Calcipotriene

>  <Catalog Number> (1,857)
S3739

>  <Synonyms> (1,857)
Calcipotriol

>  <Target> (1,857)
Others

>  <Form> (1,857)
free base

>  <URL> (1,857)
http://www.selleckchem.com/products/calcipotriene.html

>  <CAS Number> (1,857)
112965-21-6

$$$$
S3712 Tulathromycin A.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,858)
1858

>  <Formula> (1,858)
C41H79N3O12

>  <MolWeight> (1,858)
806.07886

>  <Item Name> (1,858)
Tulathromycin A

>  <Catalog Number> (1,858)
S3712

>  <Synonyms> (1,858)
N/A

>  <Target> (1,858)
Antifection

>  <Form> (1,858)
free base

>  <URL> (1,858)
http://www.selleckchem.com/products/tulathromycin-a.html

>  <CAS Number> (1,858)
217500-96-4

$$$$
S3685 4-Biphenylacetic acid.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3001    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,859)
1859

>  <Formula> (1,859)
C14H12O2

>  <MolWeight> (1,859)
212.24388

>  <Item Name> (1,859)
4-Biphenylacetic acid

>  <Catalog Number> (1,859)
S3685

>  <Synonyms> (1,859)
BPA

>  <Target> (1,859)
Immunology & Inflammation related

>  <Form> (1,859)
free base

>  <URL> (1,859)
http://www.selleckchem.com/products/4-biphenylacetic-acid.html

>  <CAS Number> (1,859)
5728-52-9

$$$$
S3694 Glucosamine (hydrochloride).cdx
csChFnd80/10101813032D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4290    3.5017    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,860)
1860

>  <Formula> (1,860)
C6H14ClNO5

>  <MolWeight> (1,860)
215.63206

>  <Item Name> (1,860)
Glucosamine hydrochloride

>  <Catalog Number> (1,860)
S3694

>  <Synonyms> (1,860)
2-Amino-2-deoxy-glucose HCl, Chitosamine HCl

>  <Target> (1,860)
Others

>  <Form> (1,860)
hydrochloride

>  <URL> (1,860)
http://www.selleckchem.com/products/glucosamine-hydrochloride.html

>  <CAS Number> (1,860)
66-84-2

$$$$
Boceprevir (SCH 503034).cdx
csChFnd80/10101813032D

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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  1  6  1  0  0  0  0
  1  5  1  0  0  0  0
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  7  9  1  0  0  0  0
  2  7  1  1  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
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 22 23  1  0  0  0  0
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 13 19  1  1  0  0  0
  3 12  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  2  0  0  0  0
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 27 32  1  0  0  0  0
 29 37  1  0  0  0  0
  9 27  1  0  0  0  0
  1 38  1  1  0  0  0
  5 39  1  1  0  0  0
M  END
>  <Mol_ID> (1,861)
1861

>  <Formula> (1,861)
C27H45N5O5

>  <MolWeight> (1,861)
519.6767

>  <Item Name> (1,861)
Boceprevir

>  <Catalog Number> (1,861)
S3733

>  <Synonyms> (1,861)
N/A

>  <Target> (1,861)
hepatitis C virus (HCV) protease

>  <Form> (1,861)
free base

>  <URL> (1,861)
http://www.selleckchem.com/products/boceprevir.html

>  <CAS Number> (1,861)
394730-60-0

$$$$
S3679 Flavanone.cdx
csChFnd80/10101813032D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4279    4.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4285    2.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    4.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8561    4.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0004    2.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0536    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    2.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4684    2.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,862)
1862

>  <Formula> (1,862)
C15H12O2

>  <MolWeight> (1,862)
224.25458

>  <Item Name> (1,862)
Flavanone

>  <Catalog Number> (1,862)
S3679

>  <Synonyms> (1,862)
2,3-Dihydroflavone, 4-Flavanone, 2-Phenyl-4-chromanone, 2-Phenylchroman-4-one

>  <Target> (1,862)
Others

>  <Form> (1,862)
free base

>  <URL> (1,862)
http://www.selleckchem.com/products/flavanone.html

>  <CAS Number> (1,862)
487-26-3

$$$$
S3680 NLRP3 Inflammasome Inhibitor I.cdx
csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 10  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  2  0  0  0  0
  6 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,863)
1863

>  <Formula> (1,863)
C16H17ClN2O4S

>  <MolWeight> (1,863)
368.83518

>  <Item Name> (1,863)
NLRP3 Inflammasome Inhibitor I

>  <Catalog Number> (1,863)
S3680

>  <Synonyms> (1,863)
N/A

>  <Target> (1,863)
NLRP3 inflammasome

>  <Form> (1,863)
free base

>  <URL> (1,863)
http://www.selleckchem.com/products/nlrp3-Inflammasome-inhibitor-i.html

>  <CAS Number> (1,863)
16673-34-0

$$$$
S3750 Sodium benzoate.cdx
csChFnd80/10101813032D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2300    2.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    2.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2300    4.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0217    4.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465    4.8855    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9008    4.9819    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
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  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,864)
1864

>  <Formula> (1,864)
C7H5NaO2

>  <MolWeight> (1,864)
144.10317

>  <Item Name> (1,864)
Sodium benzoate

>  <Catalog Number> (1,864)
S3750

>  <Synonyms> (1,864)
Benzoic acid sodium salt

>  <Target> (1,864)
Antifection

>  <Form> (1,864)
sodium salt

>  <URL> (1,864)
http://www.selleckchem.com/products/sodium-benzoate.html

>  <CAS Number> (1,864)
532-32-1

$$$$
S3628 BHQ.cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    2.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6146    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    1.3843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8238    3.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0362    4.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0445    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0445    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,865)
1865

>  <Formula> (1,865)
C14H22O2

>  <MolWeight> (1,865)
222.32328

>  <Item Name> (1,865)
BHQ

>  <Catalog Number> (1,865)
S3628

>  <Synonyms> (1,865)
2,5-di-t-butyl-1,4-benzohydroquinone

>  <Target> (1,865)
SERCA

>  <Form> (1,865)
free base

>  <URL> (1,865)
http://www.selleckchem.com/products/bhq.html

>  <CAS Number> (1,865)
88-58-4

$$$$
S3730 Metaxalone.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6554    3.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
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 14 16  2  0  0  0  0
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M  END
>  <Mol_ID> (1,866)
1866

>  <Formula> (1,866)
C12H15NO3

>  <MolWeight> (1,866)
221.2524

>  <Item Name> (1,866)
Metaxalone

>  <Catalog Number> (1,866)
S3730

>  <Synonyms> (1,866)
Skelaxin, Methaxalonum, Zorane

>  <Target> (1,866)
Others

>  <Form> (1,866)
free base

>  <URL> (1,866)
http://www.selleckchem.com/products/metaxalone.html

>  <CAS Number> (1,866)
1665-48-1

$$$$
S3747 Levothyroxine sodium.cdx
csChFnd80/10101813032D

 25 25  0  0  0  0  0  0  0  0999 V2000
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    6.0827    3.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4780    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2393    3.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0827    2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2929    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409    2.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4780    0.0253    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1980    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2948    1.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8703    1.4059    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.5073    3.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2929    5.6020    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0293    1.4355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5015    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7203    1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9384    2.1023    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1500    1.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9384    3.5064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3627    2.1029    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5056    2.1006    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  6  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,867)
1867

>  <Formula> (1,867)
C15H10I4NNaO4

>  <MolWeight> (1,867)
798.85185

>  <Item Name> (1,867)
Levothyroxine sodium

>  <Catalog Number> (1,867)
S3747

>  <Synonyms> (1,867)
L-T4 sodium, L-Thyroxine sodium, LT4 sodium

>  <Target> (1,867)
Thyroid hormone receptor

>  <Form> (1,867)
sodium salt

>  <URL> (1,867)
http://www.selleckchem.com/products/levothyroxine-sodium.html

>  <CAS Number> (1,867)
55-03-8

$$$$
S3729 Iron sucrose.cdx
csChFnd80/10101813032D

 44 39  0  0  0  0  0  0  0  0999 V2000
   10.7681   12.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9806   11.3178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5557   11.3178    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.7681   13.4178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1930   12.0178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9806    9.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4054   11.3178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1930   13.4178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4054    9.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6179   12.0178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8303   11.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6179   13.4178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0428   12.0178    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.8303    9.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8228    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0352    6.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6103    6.2300    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.8228    8.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2476    6.9300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0352    4.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4601    6.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2476    8.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4601    4.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6725    6.9300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8849    6.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6725    8.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0974    6.9300    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.8849    4.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8724    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0848    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6599    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.8724    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2972    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0848    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5097    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2972    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5097    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7221    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9345    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7221    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1470    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.9345    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   28.7298    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    0.0000   28.7298    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  5  7  1  0  0  0  0
  5  8  1  1  0  0  0
  7  9  1  1  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  1  0  0  0
 21 23  1  1  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  1  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  6  0  0  0
 33 35  1  0  0  0  0
 33 36  1  1  0  0  0
 35 37  1  1  0  0  0
 35 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  1  0  0  0
 39 41  1  0  0  0  0
 39 42  2  0  0  0  0
M  END
>  <Mol_ID> (1,868)
1868

>  <Formula> (1,868)
C18H24Fe2O24

>  <MolWeight> (1,868)
736.05876

>  <Item Name> (1,868)
Iron sucrose

>  <Catalog Number> (1,868)
S3729

>  <Synonyms> (1,868)
Iron saccharate, Sucroferric oxyhydroxide

>  <Target> (1,868)
Others

>  <Form> (1,868)
Iron saccharate

>  <URL> (1,868)
http://www.selleckchem.com/products/iron-sucrose.html

>  <CAS Number> (1,868)
8047-67-4

$$$$
Rotenone.cdx
csChFnd80/10101813032D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6852    7.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0496    8.5325    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6669    8.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6830    9.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0762    9.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9232   10.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  3  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  9  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7 26  2  0  0  0  0
 20 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  5 30  1  6  0  0  0
  4 31  1  6  0  0  0
M  END
>  <Mol_ID> (1,869)
1869

>  <Formula> (1,869)
C23H22O6

>  <MolWeight> (1,869)
394.41718

>  <Item Name> (1,869)
Rotenone (Barbasco)

>  <Catalog Number> (1,869)
S2348

>  <Synonyms> (1,869)
Barbasco, Dactinol, Paraderil, Rotenon, Rotocide

>  <Target> (1,869)
Antifection

>  <Form> (1,869)
free base

>  <URL> (1,869)
http://www.selleckchem.com/products/rotenone-barbasco.html

>  <CAS Number> (1,869)
83-79-4

$$$$
S3639 Tacrine hydrochloride hydrate.cdx
csChFnd80/10101813032D

 17 17  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    2.4488    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    0.9175    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  1 14  1  0  0  0  0
 13 15  1  0  0  0  0
A   16
?xHCl?
A   17
?xH2O?
M  END
>  <Mol_ID> (1,870)
1870

>  <Formula> (1,870)
C13H14N2R2

>  <MolWeight> (1,870)
198.26366

>  <Item Name> (1,870)
Tacrine hydrochloride hydrate

>  <Catalog Number> (1,870)
S3639

>  <Synonyms> (1,870)
Tacrine, Tetrahydroaminacrine, Tetrahydroaminoacridine

>  <Target> (1,870)
cholinesterase

>  <Form> (1,870)
hydrochloride hydrate

>  <URL> (1,870)
http://www.selleckchem.com/products/tacrine-hydrochloride-hydrate.html

>  <CAS Number> (1,870)
206658-92-6

$$$$
S3751 Quinidine sulfate.cdx
csChFnd80/10101813032D

 59 62  0  0  0  0  0  0  0  0999 V2000
   22.8927    4.9788    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.4929    4.9788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3212    4.9788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8927    3.5789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8927    6.3569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4305   15.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0306   15.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4681    2.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7664    2.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4644    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2802    2.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7664    4.2548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.9531    2.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2093    0.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0562    2.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9909    4.9618    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5660    4.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9554    0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0288    0.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8545    5.8961    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,871)
1871

>  <Formula> (1,871)
C40H54N4O10S

>  <MolWeight> (1,871)
782.94256

>  <Item Name> (1,871)
Quinidine sulfate

>  <Catalog Number> (1,871)
S3751

>  <Synonyms> (1,871)
Chinidin Sodium, Pitayine Sodium, ¦Â-quinine Sodium, (+)-quinidine Sodium

>  <Target> (1,871)
sodium channels

>  <Form> (1,871)
sulfate dihydrate

>  <URL> (1,871)
http://www.selleckchem.com/products/quinidine-sulfate.html

>  <CAS Number> (1,871)
6591-63-5

$$$$
S3664 Flupenthixol dihydrochloride.cdx
csChFnd80/10101813032D

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    7.6533    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,872)
1872

>  <Formula> (1,872)
C23H27Cl2F3N2OS

>  <MolWeight> (1,872)
507.4394896

>  <Item Name> (1,872)
Flupenthixol dihydrochloride

>  <Catalog Number> (1,872)
S3664

>  <Synonyms> (1,872)
N/A

>  <Target> (1,872)
dopamine receptors

>  <Form> (1,872)
dihydrochloride

>  <URL> (1,872)
http://www.selleckchem.com/products/flupenthixol-dihydrochloride.html

>  <CAS Number> (1,872)
51529-01-2

$$$$
S3741 Benznidazole.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,873)
1873

>  <Formula> (1,873)
C12H12N4O3

>  <MolWeight> (1,873)
260.24868

>  <Item Name> (1,873)
Benznidazole

>  <Catalog Number> (1,873)
S3741

>  <Synonyms> (1,873)
Radanil

>  <Target> (1,873)
Antifection

>  <Form> (1,873)
free base

>  <URL> (1,873)
http://www.selleckchem.com/products/benznidazole.html

>  <CAS Number> (1,873)
22994-85-0

$$$$
Colchicine.cdx
csChFnd80/10101813032D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.6958    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,874)
1874

>  <Formula> (1,874)
C22H25NO6

>  <MolWeight> (1,874)
399.437

>  <Item Name> (1,874)
Colchicine

>  <Catalog Number> (1,874)
S2284

>  <Synonyms> (1,874)
Colchineos, Colchisol, Colcin

>  <Target> (1,874)
Microtubule Associated inhibitor 

>  <Form> (1,874)
free base

>  <URL> (1,874)
http://www.selleckchem.com/products/colchicine.html

>  <CAS Number> (1,874)
64-86-8

$$$$
Cinchonine.cdx
csChFnd80/10101813032D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,875)
1875

>  <Formula> (1,875)
C19H22N2O

>  <MolWeight> (1,875)
294.39078

>  <Catalog Number> (1,875)
S2283

>  <Synonyms> (1,875)
N/A

>  <Target> (1,875)
Others

>  <Form> (1,875)
free base

>  <URL> (1,875)
http://www.selleckchem.com/products/cinchonine.html

>  <CAS Number> (1,875)
118-10-5

$$$$
S4760 (2-Hydroxypropyl)-¦Â-cyclodextrin (HP-¦Â-CD.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,876)
1876

>  <Formula> (1,876)
C63H112O42

>  <MolWeight> (1,876)
1541.53818

>  <Item Name> (1,876)
(2-Hydroxypropyl)-¦Â-cyclodextrin (HP-¦Â-CD)

>  <Catalog Number> (1,876)
S4760

>  <Synonyms> (1,876)
HP-¦Â-cyclodextrin

>  <Target> (1,876)
amyloid-¦Â aggregation

>  <Form> (1,876)
free base

>  <URL> (1,876)
http://www.selleckchem.com/products/2-hydroxypropyl-beta-cyclodextrin-hp-beta-cd.html

>  <CAS Number> (1,876)
128446-35-5

$$$$
S3666 Ilaprazole.cdx
csChFnd80/10101813032D

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   14.3042    1.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,877)
1877

>  <Formula> (1,877)
C19H18N4O2S

>  <MolWeight> (1,877)
366.43682

>  <Item Name> (1,877)
Ilaprazole

>  <Catalog Number> (1,877)
S3666

>  <Synonyms> (1,877)
IY-81149

>  <Target> (1,877)
Proton pump,TOPK 

>  <Form> (1,877)
free base

>  <URL> (1,877)
http://www.selleckchem.com/products/ilaprazole.html

>  <CAS Number> (1,877)
172152-36-2

$$$$
S3678 PTP Inhibitor II.cdx
csChFnd80/10101813032D

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    4.9000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,878)
1878

>  <Formula> (1,878)
C9H9BrO2

>  <MolWeight> (1,878)
229.07056

>  <Item Name> (1,878)
PTP Inhibitor II

>  <Catalog Number> (1,878)
S3678

>  <Synonyms> (1,878)
NSC 129010, 4-(Bromoacetyl)anisole

>  <Target> (1,878)
PTP

>  <Form> (1,878)
free base

>  <URL> (1,878)
http://www.selleckchem.com/products/ptp-inhibitor-2.html

>  <CAS Number> (1,878)
2632-13-5

$$$$
S3643 Amitraz.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,879)
1879

>  <Formula> (1,879)
C19H23N3

>  <MolWeight> (1,879)
293.40602

>  <Item Name> (1,879)
Amitraz

>  <Catalog Number> (1,879)
S3643

>  <Synonyms> (1,879)
NSC 324552

>  <Target> (1,879)
¦Á2 adrenergic receptor

>  <Form> (1,879)
free base

>  <URL> (1,879)
http://www.selleckchem.com/products/amitraz.html

>  <CAS Number> (1,879)
33089-61-1

$$$$
S4759 p-Coumaric Acid.cdx
csChFnd80/10101813032D

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    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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  4  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,880)
1880

>  <Formula> (1,880)
C9H8O3

>  <MolWeight> (1,880)
164.15802

>  <Item Name> (1,880)
p-Coumaric Acid

>  <Catalog Number> (1,880)
S4759

>  <Synonyms> (1,880)
4-Hydroxycinnamic acid, P-Hydroxycinnamic acid, 4-Coumaric acid, Trans-p-Coumaric acid

>  <Target> (1,880)
Antifection

>  <Form> (1,880)
free base

>  <URL> (1,880)
http://www.selleckchem.com/products/p-coumaric-acid.html

>  <CAS Number> (1,880)
501-98-4

$$$$
S3686 Thioisonicotinamide.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,881)
1881

>  <Formula> (1,881)
C6H6N2S

>  <MolWeight> (1,881)
138.19024

>  <Item Name> (1,881)
Thioisonicotinamide

>  <Catalog Number> (1,881)
S3686

>  <Synonyms> (1,881)
Pyridine-4-carbothioamide, Isothionicotinamide, 4-Pyridylthiocarboxamide

>  <Target> (1,881)
Others

>  <Form> (1,881)
free base

>  <URL> (1,881)
http://www.selleckchem.com/products/thioisonicotinamide.html

>  <CAS Number> (1,881)
2196-13-6

$$$$
S4758 Crocin.cdx
csChFnd80/10101813032D

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>  <Formula> (1,882)
C44H64O24

>  <MolWeight> (1,882)
976.96456

>  <Item Name> (1,882)
Crocin

>  <Catalog Number> (1,882)
S4758

>  <Synonyms> (1,882)
Alpha-Crocin, Gardenia Yellow

>  <Target> (1,882)
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>  <Form> (1,882)
free base

>  <URL> (1,882)
http://www.selleckchem.com/products/crocin.html

>  <CAS Number> (1,882)
42553-65-1

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/10101813032D

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>  <Formula> (1,883)
C26H45NO6S

>  <MolWeight> (1,883)
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>  <Item Name> (1,883)
Tauroursodeoxycholic Acid

>  <Catalog Number> (1,883)
S3654

>  <Synonyms> (1,883)
N/A

>  <Target> (1,883)
Others

>  <Form> (1,883)
free base

>  <URL> (1,883)
http://www.selleckchem.com/products/tauroursodeoxycholic-acid.html

>  <CAS Number> (1,883)
14605-22-2

$$$$
S3938 Bisdemethoxycurcumin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,884)
1884

>  <Formula> (1,884)
C19H16O4

>  <MolWeight> (1,884)
308.32794

>  <Item Name> (1,884)
Bisdemethoxycurcumin

>  <Catalog Number> (1,884)
S3938

>  <Synonyms> (1,884)
N/A

>  <Target> (1,884)
Others

>  <Form> (1,884)
free base

>  <URL> (1,884)
http://www.selleckchem.com/products/bisdemethoxycurcumin.html

>  <CAS Number> (1,884)
33171-05-0

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,885)
1885

>  <Formula> (1,885)
C15H14O3

>  <MolWeight> (1,885)
242.26986

>  <Item Name> (1,885)
4'-Methoxyresveratrol

>  <Catalog Number> (1,885)
S3939

>  <Synonyms> (1,885)
N/A

>  <Target> (1,885)
Others

>  <Form> (1,885)
free base

>  <URL> (1,885)
http://www.selleckchem.com/products/4-methoxyresveratrol.html

>  <CAS Number> (1,885)
33626-08-3

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/10101813032D

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1886

>  <Formula> (1,886)
C16H16O4

>  <MolWeight> (1,886)
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>  <Item Name> (1,886)
3'-Hydroxypterostilbene

>  <Catalog Number> (1,886)
S3940

>  <Synonyms> (1,886)
3'-HPT

>  <Target> (1,886)
Others

>  <Form> (1,886)
free base

>  <URL> (1,886)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

>  <CAS Number> (1,886)
475231-21-1

$$$$
S3941 Pinocembrin.cdx
csChFnd80/10101813032D

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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,887)
1887

>  <Formula> (1,887)
C15H12O4

>  <MolWeight> (1,887)
256.25338

>  <Item Name> (1,887)
Pinocembrin

>  <Catalog Number> (1,887)
S3941

>  <Synonyms> (1,887)
Pinocembrin

>  <Target> (1,887)
Antifection

>  <Form> (1,887)
free base

>  <URL> (1,887)
http://www.selleckchem.com/products/pinocembrin.html

>  <CAS Number> (1,887)
480-39-7

$$$$
S3942 Cardamonin.cdx
csChFnd80/10101813032D

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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,888)
1888

>  <Formula> (1,888)
C16H14O4

>  <MolWeight> (1,888)
270.27996

>  <Item Name> (1,888)
Cardamoni

>  <Catalog Number> (1,888)
S3867

>  <Synonyms> (1,888)
Alpinetin chalcone, cardamomin

>  <Target> (1,888)
NF-¦ÊB,Calcium Channel

>  <Form> (1,888)
free base

>  <CAS Number> (1,888)
 19309-14-9

$$$$
S3981 Sinapinic Acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,889)
1889

>  <Formula> (1,889)
C11H12O5

>  <MolWeight> (1,889)
224.20998

>  <Item Name> (1,889)
Sinapinic Acid

>  <Catalog Number> (1,889)
S3981

>  <Synonyms> (1,889)
Sinapic acid

>  <Target> (1,889)
Others

>  <Form> (1,889)
free base

>  <URL> (1,889)
http://www.selleckchem.com/products/sinapinic-acid.html

>  <CAS Number> (1,889)
530-59-6

$$$$
S3983 Caryophyllene oxide.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    3.4225    4.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8049    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435    3.7682    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,890)
1890

>  <Formula> (1,890)
C15H24O

>  <MolWeight> (1,890)
220.35046

>  <Item Name> (1,890)
Caryophyllene oxide

>  <Catalog Number> (1,890)
S3983

>  <Synonyms> (1,890)
N/A

>  <Target> (1,890)
Others

>  <Form> (1,890)
free base

>  <URL> (1,890)
http://www.selleckchem.com/products/caryophyllene-oxide.html

>  <CAS Number> (1,890)
1139-30-6

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/10101813032D

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    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,891)
1891

>  <Formula> (1,891)
C18H22O4

>  <MolWeight> (1,891)
302.36488

>  <Item Name> (1,891)
Nordihydroguaiaretic acid

>  <Catalog Number> (1,891)
S3984

>  <Synonyms> (1,891)
N/A

>  <Target> (1,891)
lipoxygenase

>  <Form> (1,891)
free base

>  <URL> (1,891)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

>  <CAS Number> (1,891)
500-38-9

$$$$
S3959 (+)-Borneol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,892)
1892

>  <Formula> (1,892)
C10H18O

>  <MolWeight> (1,892)
154.24932

>  <Item Name> (1,892)
(+)-Borneol

>  <Catalog Number> (1,892)
S3959

>  <Synonyms> (1,892)
N/A

>  <Target> (1,892)
Others

>  <Form> (1,892)
free base

>  <URL> (1,892)
http://www.selleckchem.com/products/positive-rotation-borneol.html

>  <CAS Number> (1,892)
464-43-7

$$$$
Solanesol.cdx
csChFnd80/10101813032D

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    6.0748    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5661    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7786    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4159    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6283    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8407    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0532    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2656    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4780    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6905    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9029    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1153    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3278    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5402    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7527    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9651    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1775    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1775    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3900    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3278    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4780    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6283    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7786    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
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 18 45  1  0  0  0  0
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M  END
>  <Mol_ID> (1,893)
1893

>  <Formula> (1,893)
C45H74O

>  <MolWeight> (1,893)
631.06846

>  <Item Name> (1,893)
Solanesol (Nonaisoprenol)

>  <Catalog Number> (1,893)
S2360

>  <Synonyms> (1,893)
Nonaisoprenol, Betulanonaprenol

>  <Target> (1,893)
FAK

>  <Form> (1,893)
free base

>  <URL> (1,893)
http://www.selleckchem.com/products/solanesol-nonaisoprenol.html

>  <CAS Number> (1,893)
13190-97-1

$$$$
S3954 Alphalipoic acid.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.7000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6832    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9369    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4283    2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.7832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    1.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,894)
1894

>  <Formula> (1,894)
C8H14O2S2

>  <MolWeight> (1,894)
206.32556

>  <Item Name> (1,894)
Alphalipoic acid

>  <Catalog Number> (1,894)
S3954

>  <Synonyms> (1,894)
thioctic acid

>  <Target> (1,894)
ROS

>  <Form> (1,894)
free base

>  <URL> (1,894)
http://www.selleckchem.com/products/alphalipoic-acid.html

>  <CAS Number> (1,894)
1077-28-7

$$$$
S3956 Tetramethylpyrazine.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2130    2.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    0.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    2.7858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    2.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    0.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,895)
1895

>  <Formula> (1,895)
C8H12N2

>  <MolWeight> (1,895)
136.19428

>  <Item Name> (1,895)
Tetramethylpyrazine

>  <Catalog Number> (1,895)
S3956

>  <Synonyms> (1,895)
ligustrazine

>  <Target> (1,895)
PDE

>  <Form> (1,895)
free base

>  <URL> (1,895)
http://www.selleckchem.com/products/tetramethylpyrazine.html

>  <CAS Number> (1,895)
1124-11-4

$$$$
S3960 Higenamine hydrochloride.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,896)
1896

>  <Formula> (1,896)
C16H18ClNO3

>  <MolWeight> (1,896)
307.77202

>  <Item Name> (1,896)
Higenamine hydrochloride

>  <Catalog Number> (1,896)
S3960

>  <Synonyms> (1,896)
Higenamine hydrochloride

>  <Target> (1,896)
¦Â2-adrenoceptor,¦Á1-adrenoceptor

>  <Form> (1,896)
hydrochloride

>  <URL> (1,896)
http://www.selleckchem.com/products/higenamine-hydrochloride.html

>  <CAS Number> (1,896)
11041-94-4

$$$$
S3961 Homoveratrumic acid.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4233    2.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    4.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    2.0829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8323    2.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    0.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    4.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    4.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0367    4.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2489    4.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    4.8889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2489    2.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
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  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,897)
1897

>  <Formula> (1,897)
C10H12O4

>  <MolWeight> (1,897)
196.19988

>  <Item Name> (1,897)
Homoveratrumic acid

>  <Catalog Number> (1,897)
S3961

>  <Synonyms> (1,897)
Homoveratrumic acid

>  <Target> (1,897)
Others

>  <Form> (1,897)
free base

>  <URL> (1,897)
http://www.selleckchem.com/products/homoveratrumic-acid.html

>  <CAS Number> (1,897)
93-40-3

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1100    3.6488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5066    3.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900    1.2240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3900    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7  9  1  0  0  0  0
  9 11  1  6  0  0  0
M  END
>  <Mol_ID> (1,898)
1898

>  <Formula> (1,898)
C6H13NO4

>  <MolWeight> (1,898)
163.17172

>  <Item Name> (1,898)
1-Deoxynojirimycin

>  <Catalog Number> (1,898)
S3839

>  <Synonyms> (1,898)
duvoglustat, moranolin

>  <Target> (1,898)
¦Á-glucosidase

>  <Form> (1,898)
free base

>  <URL> (1,898)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

>  <CAS Number> (1,898)
19130-96-2

$$$$
S3814 Tubeimoside I.cdx
csChFnd80/10101813032D

 95105  0  0  0  0  0  0  0  0999 V2000
   17.0347   11.2562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8343   11.9674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.0347    9.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2570   10.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2570   11.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6011   11.2562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8343   13.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8343    9.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,899)
1899

>  <Formula> (1,899)
C63H98O29

>  <MolWeight> (1,899)
1319.43482

>  <Item Name> (1,899)
Tubeimoside I

>  <Catalog Number> (1,899)
S3814

>  <Synonyms> (1,899)
Lobatoside H

>  <Target> (1,899)
Others

>  <Form> (1,899)
free base

>  <URL> (1,899)
http://www.selleckchem.com/products/tubeimoside-i.html

>  <CAS Number> (1,899)
102040-03-9

$$$$
S3815 Mogroside V.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,900)
1900

>  <Formula> (1,900)
C60H102O29

>  <MolWeight> (1,900)
1287.43448

>  <Item Name> (1,900)
Mogroside V

>  <Catalog Number> (1,900)
S3815

>  <Synonyms> (1,900)
N/A

>  <Target> (1,900)
Others

>  <Form> (1,900)
free base

>  <URL> (1,900)
http://www.selleckchem.com/products/mogroside-v.html

>  <CAS Number> (1,900)
88901-36-4

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,901)
1901

>  <Formula> (1,901)
C13H13ClN2O

>  <MolWeight> (1,901)
248.70812

>  <Item Name> (1,901)
Harmine hydrochloride

>  <Catalog Number> (1,901)
S3817

>  <Synonyms> (1,901)
telepathine hydrochloride

>  <Target> (1,901)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (1,901)
hydrochloride

>  <URL> (1,901)
http://www.selleckchem.com/products/harmine-hydrochloride.html

>  <CAS Number> (1,901)
343-27-1

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,902)
1902

>  <Formula> (1,902)
C19H20O5

>  <MolWeight> (1,902)
328.3591

>  <Item Name> (1,902)
Decursinol angelate

>  <Catalog Number> (1,902)
S3819

>  <Synonyms> (1,902)
N/A

>  <Target> (1,902)
PKC

>  <Form> (1,902)
free base

>  <URL> (1,902)
http://www.selleckchem.com/products/decursinol-angelate.html

>  <CAS Number> (1,902)
130848-06-5

$$$$
S3820 Dehydroevodiamine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,903)
1903

>  <Formula> (1,903)
C19H16ClN3O

>  <MolWeight> (1,903)
337.80284

>  <Item Name> (1,903)
Dehydroevodiamine hydrochloride

>  <Catalog Number> (1,903)
S3820

>  <Synonyms> (1,903)
N/A

>  <Target> (1,903)
AChE

>  <Form> (1,903)
hydrochloride

>  <URL> (1,903)
http://www.selleckchem.com/products/dehydroevodiamine-hydrochloride.html

>  <CAS Number> (1,903)
111664-82-5

$$$$
S3822 Schisandrin A.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,904)
1904

>  <Formula> (1,904)
C24H32O6

>  <MolWeight> (1,904)
416.50728

>  <Item Name> (1,904)
Schisandrin A

>  <Catalog Number> (1,904)
S3822

>  <Synonyms> (1,904)
Deoxyschizandrin, Wuweizisu A

>  <Target> (1,904)
AdipoR2

>  <Form> (1,904)
free base

>  <URL> (1,904)
http://www.selleckchem.com/products/schisandrin-a.html

>  <CAS Number> (1,904)
61281-38-7

$$$$
S3823 Schizandrol A.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,905)
1905

>  <Formula> (1,905)
C24H32O7

>  <MolWeight> (1,905)
432.50668

>  <Item Name> (1,905)
Schizandrol A

>  <Catalog Number> (1,905)
S3823

>  <Synonyms> (1,905)
N/A

>  <Target> (1,905)
Others

>  <Form> (1,905)
free base

>  <URL> (1,905)
http://www.selleckchem.com/products/schizandrol-a.html

>  <CAS Number> (1,905)
7432-28-2

$$$$
S3824 Quercitrin.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,906)
1906

>  <Formula> (1,906)
C21H20O11

>  <MolWeight> (1,906)
448.3769

>  <Item Name> (1,906)
Quercitrin

>  <Catalog Number> (1,906)
S3824

>  <Synonyms> (1,906)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (1,906)
Others

>  <Form> (1,906)
free base

>  <URL> (1,906)
http://www.selleckchem.com/products/quercitrin.html

>  <CAS Number> (1,906)
522-12-3

$$$$
S3825 Glycitin.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 25 30  1  6  0  0  0
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M  END
>  <Mol_ID> (1,907)
1907

>  <Formula> (1,907)
C22H22O10

>  <MolWeight> (1,907)
446.40408

>  <Item Name> (1,907)
Glycitin

>  <Catalog Number> (1,907)
S3825

>  <Synonyms> (1,907)
Glycitein-7-¦Â-O-glucoside

>  <Target> (1,907)
Others

>  <Form> (1,907)
free base

>  <URL> (1,907)
http://www.selleckchem.com/products/glycitin.html

>  <CAS Number> (1,907)
40246-10-4

$$$$
S3826 Hydroxytyrosol.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,908)
1908

>  <Formula> (1,908)
C8H10O3

>  <MolWeight> (1,908)
154.1632

>  <Item Name> (1,908)
Hydroxytyrosol

>  <Catalog Number> (1,908)
S3826

>  <Synonyms> (1,908)
3-Hydroxytyrosol; 3,4-dihydroxyphenylethanol; Dihydroxyphenylethanol

>  <Target> (1,908)
Others

>  <Form> (1,908)
free base

>  <URL> (1,908)
http://www.selleckchem.com/products/hydroxytyrosol.html

>  <CAS Number> (1,908)
10597-60-1

$$$$
S3827 Royal jelly acid.cdx
csChFnd80/10101813032D

 13 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,909)
1909

>  <Formula> (1,909)
C10H18O3

>  <MolWeight> (1,909)
186.24812

>  <Item Name> (1,909)
Royal jelly acid

>  <Catalog Number> (1,909)
S3827

>  <Synonyms> (1,909)
10-Hydroxy-trans-2-decenoic acid, 10H2DA|

>  <Target> (1,909)
Others

>  <Form> (1,909)
free base

>  <URL> (1,909)
http://www.selleckchem.com/products/royal-jelly-acid.html

>  <CAS Number> (1,909)
14113-05-4

$$$$
S3828 Orcinol glucoside.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8498    3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  6  0  0  0
  3  4  1  0  0  0  0
  3  8  1  1  0  0  0
  4  5  1  0  0  0  0
  4  9  1  6  0  0  0
  5  6  1  0  0  0  0
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 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,910)
1910

>  <Formula> (1,910)
C13H18O7

>  <MolWeight> (1,910)
286.27782

>  <Item Name> (1,910)
Orcinol glucoside

>  <Catalog Number> (1,910)
S3828

>  <Synonyms> (1,910)
Sakakin

>  <Target> (1,910)
Others

>  <Form> (1,910)
free base

>  <URL> (1,910)
http://www.selleckchem.com/products/orcinol-glucoside.html

>  <CAS Number> (1,910)
21082-33-7

$$$$
S3829 Isoalantolactone.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.2875    3.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2877    2.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8806    2.0866    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0693    4.1466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8759    3.4452    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4311    3.4452    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4311    2.0866    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6549    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6549    4.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2193    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4999    4.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2776    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2193    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    4.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4311    4.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4311    0.6866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8759    4.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2342    0.7319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
 11  1  2  0  0  0  0
  3  2  1  0  0  0  0
 12  2  2  0  0  0  0
  8  3  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
  9  5  1  0  0  0  0
  5 19  1  6  0  0  0
  6  9  1  0  0  0  0
 14  6  1  0  0  0  0
  6 15  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
 10  7  1  0  0  0  0
  7 18  1  6  0  0  0
 13 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 17 16  1  0  0  0  0
  3 20  1  6  0  0  0
M  END
>  <Mol_ID> (1,911)
1911

>  <Formula> (1,911)
C15H20O2

>  <MolWeight> (1,911)
232.3181

>  <Item Name> (1,911)
Isoalantolactone

>  <Catalog Number> (1,911)
S3829

>  <Synonyms> (1,911)
N/A

>  <Target> (1,911)
Others

>  <URL> (1,911)
http://www.selleckchem.com/products/isoalantolactone.html

>  <CAS Number> (1,911)
470-17-7

$$$$
S3833 Amentoflavone.cdx
csChFnd80/10101813032D

 40 45  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  9 10  1  0  0  0  0
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 19 20  1  0  0  0  0
 14 20  2  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 25 32  2  0  0  0  0
 32 33  1  0  0  0  0
 21 33  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
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 37 39  2  0  0  0  0
 39 40  1  0  0  0  0
 34 40  2  0  0  0  0
 16 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,912)
1912

>  <Formula> (1,912)
C30H18O10

>  <MolWeight> (1,912)
538.45792

>  <Item Name> (1,912)
Amentoflavone

>  <Catalog Number> (1,912)
S3833

>  <Synonyms> (1,912)
Didemethyl Ginkgetin

>  <Target> (1,912)
Others

>  <Form> (1,912)
free base

>  <URL> (1,912)
http://www.selleckchem.com/products/amentoflavone.html

>  <CAS Number> (1,912)
1617-53-4

$$$$
S3834 Astaxanthin.cdx
csChFnd80/10101813032D

 44 45  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0160    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.4156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0363    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.2949    4.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    4.8156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   30.3109    2.7156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,913)
1913

>  <Formula> (1,913)
C40H52O4

>  <MolWeight> (1,913)
596.83848

>  <Item Name> (1,913)
Astaxanthin

>  <Catalog Number> (1,913)
S3834

>  <Synonyms> (1,913)
¦Â-Carotene-4,4'-dione, trans-Astaxanthin

>  <Target> (1,913)
Others

>  <Form> (1,913)
free base

>  <URL> (1,913)
http://www.selleckchem.com/products/astaxanthin.html

>  <CAS Number> (1,913)
472-61-7

$$$$
S3835 Loganin.cdx
csChFnd80/10101813032D

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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  2  5  1  0  0  0  0
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 12  7  1  1  0  0  0
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M  END
>  <Mol_ID> (1,914)
1914

>  <Formula> (1,914)
C17H26O10

>  <MolWeight> (1,914)
390.38234

>  <Item Name> (1,914)
Loganin

>  <Catalog Number> (1,914)
S3835

>  <Synonyms> (1,914)
Loganoside

>  <Target> (1,914)
AChE,BACE1,BChE

>  <Form> (1,914)
free base

>  <URL> (1,914)
http://www.selleckchem.com/products/loganin.html

>  <CAS Number> (1,914)
18524-94-2

$$$$
S3836 6-Gingerol.cdx
csChFnd80/10101813032D

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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  1 12  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (1,915)
1915

>  <Formula> (1,915)
C17H26O4

>  <MolWeight> (1,915)
294.38594

>  <Item Name> (1,915)
6-Gingerol

>  <Catalog Number> (1,915)
S3836

>  <Synonyms> (1,915)
CI-1011

>  <Target> (1,915)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (1,915)
free base

>  <URL> (1,915)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

>  <CAS Number> (1,915)
23513-14-6

$$$$
S3838 Carnosic acid.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,916)
1916

>  <Formula> (1,916)
C20H28O4

>  <MolWeight> (1,916)
332.43392

>  <Item Name> (1,916)
Carnosic acid

>  <Catalog Number> (1,916)
S3838

>  <Synonyms> (1,916)
salvin

>  <Target> (1,916)
Others

>  <Form> (1,916)
free base

>  <URL> (1,916)
http://www.selleckchem.com/products/carnosic-acid.html

>  <CAS Number> (1,916)
3650-09-7

$$$$
S3840 Baohuoside I.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,917)
1917

>  <Formula> (1,917)
C27H30O10

>  <MolWeight> (1,917)
514.5211

>  <Item Name> (1,917)
Baohuoside I

>  <Catalog Number> (1,917)
S3840

>  <Synonyms> (1,917)
Icariside II

>  <Target> (1,917)
ROS

>  <URL> (1,917)
http://www.selleckchem.com/products/baohuoside-i.html

>  <CAS Number> (1,917)
113558-15-9

$$$$
S3841 Eleutheroside B.cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.0606    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,918)
1918

>  <Formula> (1,918)
C17H24O9

>  <MolWeight> (1,918)
372.36706

>  <Item Name> (1,918)
Eleutheroside B

>  <Catalog Number> (1,918)
S3841

>  <Synonyms> (1,918)
syringin, Syringoside, Lilacin

>  <Target> (1,918)
Others

>  <Form> (1,918)
free base

>  <URL> (1,918)
http://www.selleckchem.com/products/eleutheroside-b.html

>  <CAS Number> (1,918)
118-34-3

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/10101813032D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,919)
1919

>  <Formula> (1,919)
C21H20O12

>  <MolWeight> (1,919)
464.3763

>  <Item Name> (1,919)
Isoquercitrin

>  <Catalog Number> (1,919)
S3842

>  <Synonyms> (1,919)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (1,919)
Wnt/¦Â-catenin

>  <Form> (1,919)
free base

>  <URL> (1,919)
http://www.selleckchem.com/products/isoquercitrin.html

>  <CAS Number> (1,919)
482-35-9

$$$$
S3957 Gamma-Oryzanol.cdx
csChFnd80/10101813032D

 47 52  0  0  0  0  0  0  0  0999 V2000
   14.5413    4.9362    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,920)
1920

>  <Formula> (1,920)
C40H58O4

>  <MolWeight> (1,920)
602.88612

>  <Item Name> (1,920)
Gamma-Oryzanol

>  <Catalog Number> (1,920)
S3957

>  <Synonyms> (1,920)
N/A

>  <Target> (1,920)
Others

>  <Form> (1,920)
free base

>  <URL> (1,920)
http://www.selleckchem.com/products/gamma-oryzanol.html

>  <CAS Number> (1,920)
11042-64-1

$$$$
S3962 Dihydroactinidiolide.cdx
csChFnd80/10101813032D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.3820    2.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,921)
1921

>  <Formula> (1,921)
C11H16O2

>  <MolWeight> (1,921)
180.24354

>  <Item Name> (1,921)
Dihydroactinidiolide

>  <Catalog Number> (1,921)
S3962

>  <Synonyms> (1,921)
N/A

>  <Target> (1,921)
Others

>  <Form> (1,921)
free base

>  <URL> (1,921)
http://www.selleckchem.com/products/dihydroactinidiolide.html

>  <CAS Number> (1,921)
17092-92-1

$$$$
S3968 Histamine.cdx
csChFnd80/10101813032D

  8  8  0  0  0  0  0  0  0  0999 V2000
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    0.7000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,922)
1922

>  <Formula> (1,922)
C5H9N3

>  <MolWeight> (1,922)
111.14506

>  <Item Name> (1,922)
Histamine

>  <Catalog Number> (1,922)
S3968

>  <Synonyms> (1,922)
N/A

>  <Target> (1,922)
Histamine receptor

>  <Form> (1,922)
free base

>  <URL> (1,922)
http://www.selleckchem.com/products/histamine.html

>  <CAS Number> (1,922)
51-45-6

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0606    5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2155    4.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    3.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6155    4.5793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3918    5.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    5.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    3.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6358    5.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3935    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    1.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0155    4.5803    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    2.4228    5.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8235    7.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    3.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    1.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1147    0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3471    4.6019    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  2  5  2  0  0  0  0
  4  2  1  0  0  0  0
  2  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  4  2  0  0  0  0
 18  4  2  0  0  0  0
 21  5  1  0  0  0  0
  8  6  1  0  0  0  0
 19  6  2  0  0  0  0
  7  8  1  0  0  0  0
 11  7  1  0  0  0  0
  7 10  2  0  0  0  0
 20  8  2  0  0  0  0
 13 10  1  0  0  0  0
 12 11  2  0  0  0  0
 22 11  1  0  0  0  0
 15 12  1  0  0  0  0
 12 14  1  0  0  0  0
 14 13  2  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 15 23  1  0  0  0  0
 24 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,923)
1923

>  <Formula> (1,923)
C19H17NaO6S

>  <MolWeight> (1,923)
396.38945

>  <Item Name> (1,923)
Tanshinone IIA sulfonate (sodium)

>  <Catalog Number> (1,923)
S3766

>  <Synonyms> (1,923)
N/A

>  <Target> (1,923)
CYP3A4

>  <Form> (1,923)
sodium salt

>  <URL> (1,923)
http://www.selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

>  <CAS Number> (1,923)
69659-80-9

$$$$
S3769 Palmatine.cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.0651    2.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8544    2.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    2.1084    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0657    4.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8538    0.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4897    2.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2784    0.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2763    4.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    0.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0681    0.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4906    4.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2769    6.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7016    4.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4847    7.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2171    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6985    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9140    4.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0057    0.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9110    7.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1275    4.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1234    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,924)
1924

>  <Formula> (1,924)
C21H22NO4+

>  <MolWeight> (1,924)
352.40368

>  <Item Name> (1,924)
Palmatine

>  <Catalog Number> (1,924)
S3769

>  <Synonyms> (1,924)
Berbericinine, Burasaine

>  <Target> (1,924)
AChE,BChE 

>  <Form> (1,924)
free base

>  <URL> (1,924)
http://www.selleckchem.com/products/palmatine.html

>  <CAS Number> (1,924)
3486-67-7

$$$$
S3771 Stachydrine.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.5939    1.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1274    2.1586    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2652    1.3430    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8410    0.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4410    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8763    3.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6401    0.8539    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1841    3.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0576    3.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,925)
1925

>  <Formula> (1,925)
C7H13NO2

>  <MolWeight> (1,925)
143.18362

>  <Item Name> (1,925)
Stachydrine

>  <Catalog Number> (1,925)
S3771

>  <Synonyms> (1,925)
	Proline betaine, L-stachydrine, Methyl hygrate betaine

>  <Target> (1,925)
Others

>  <Form> (1,925)
inner salt

>  <URL> (1,925)
http://www.selleckchem.com/products/stachydrine.html

>  <CAS Number> (1,925)
471-87-4

$$$$
S3773 Tyrosol.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,926)
1926

>  <Formula> (1,926)
C8H10O2

>  <MolWeight> (1,926)
138.1638

>  <Item Name> (1,926)
Tyrosol

>  <Catalog Number> (1,926)
S3773

>  <Synonyms> (1,926)
4-Hydroxyphenylethanol, 4-Hydroxyphenethyl alcohol, 2-(4-Hydroxyphenyl)ethanol

>  <Target> (1,926)
Others

>  <Form> (1,926)
free base

>  <URL> (1,926)
http://www.selleckchem.com/products/tyrosol.html

>  <CAS Number> (1,926)
501-94-0

$$$$
S3774 Dehydroandrographolide Succinate Potasium Salt.cdx
csChFnd80/10101813032D

 40 41  0  0  0  0  0  0  0  0999 V2000
    8.4854    6.7480    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4834    9.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6922    8.8433    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6729    7.4369    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8965    6.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1169    7.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    8.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9124    9.5392    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9124   10.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1277   11.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1277   13.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2635   13.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8348   15.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4301   15.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2709    8.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0600    6.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9488    2.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2108    5.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 24  2  1  0  0  0  0
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 36 39  1  0  0  0  0
M  END
>  <Mol_ID> (1,927)
1927

>  <Formula> (1,927)
C28H35KO10

>  <MolWeight> (1,927)
570.6698

>  <Item Name> (1,927)
Dehydroandrographolide Succinate Potasium Sa

>  <Catalog Number> (1,927)
S3774

>  <Synonyms> (1,927)
N/A

>  <Target> (1,927)
Immunology & Inflammation

>  <Form> (1,927)
potassium salt

>  <URL> (1,927)
http://www.selleckchem.com/products/dehydroandrographolide-succinate-potasium-salt.html

>  <CAS Number> (1,927)
76958-99-1

$$$$
S3775 Ligustrazine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,928)
1928

>  <Formula> (1,928)
C8H13ClN2

>  <MolWeight> (1,928)
172.65522

>  <Item Name> (1,928)
Ligustrazine hydrochloride

>  <Catalog Number> (1,928)
S3775

>  <Synonyms> (1,928)
Tetramethylpyrazine HCl, Tetrapyrazine HCl

>  <Target> (1,928)
Immunology & Inflammation

>  <Form> (1,928)
hydrochloride

>  <URL> (1,928)
http://www.selleckchem.com/products/ligustrazine-hydrochloride.html

>  <CAS Number> (1,928)
76494-51-4

$$$$
Lappaconitine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,929)
1929

>  <Formula> (1,929)
C32H44N2O8

>  <MolWeight> (1,929)
584.70036

>  <Item Name> (1,929)
Lappaconitine

>  <Catalog Number> (1,929)
S2318

>  <Synonyms> (1,929)
N/A

>  <Target> (1,929)
Sodium channel 

>  <Form> (1,929)
free base

>  <URL> (1,929)
http://www.selleckchem.com/products/lappaconitine.html

>  <CAS Number> (1,929)
32854-75-4

$$$$
S3759 Norcantharidin.cdx
csChFnd80/10101813032D

 12 14  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,930)
1930

>  <Formula> (1,930)
C8H8O4

>  <MolWeight> (1,930)
168.14672

>  <Item Name> (1,930)
Norcantharidin

>  <Catalog Number> (1,930)
S3759

>  <Synonyms> (1,930)
Endothall anhydride

>  <Target> (1,930)
c-Met,EGFR

>  <Form> (1,930)
free base

>  <URL> (1,930)
http://www.selleckchem.com/products/norcantharidin.html

>  <CAS Number> (1,930)
29745-04-8

$$$$
S3914 ¦Á-Hederin.cdx
csChFnd80/10101813032D

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 49 52  1  6  0  0  0
 49 50  1  0  0  0  0
 50 53  1  1  0  0  0
 12 56  1  1  0  0  0
M  END
>  <Mol_ID> (1,931)
1931

>  <Formula> (1,931)
C41H66O12

>  <MolWeight> (1,931)
750.95554

>  <Item Name> (1,931)
¦Á-Hederin

>  <Catalog Number> (1,931)
S3914

>  <Synonyms> (1,931)
N/A

>  <Target> (1,931)
Others

>  <Form> (1,931)
free base

>  <URL> (1,931)
http://www.selleckchem.com/products/alpha-hederin.html

>  <CAS Number> (1,931)
27013-91-8

$$$$
S3758 Sinomenine hydrochloride.cdx
csChFnd80/10101813032D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6000    4.8497    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.8497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124    5.7373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1024    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7601    5.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0213    4.2644    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  2  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
 13 18  1  0  0  0  0
  8 19  1  6  0  0  0
  7 20  1  6  0  0  0
 21  9  1  0  0  0  0
 21 22  1  0  0  0  0
 18 23  1  0  0  0  0
 16 24  1  0  0  0  0
 21 25  1  6  0  0  0
 25 20  1  6  0  0  0
M  CFW  27 BOND_GSTEREO 4
M  END
>  <Mol_ID> (1,932)
1932

>  <Formula> (1,932)
C19H24ClNO4

>  <MolWeight> (1,932)
365.85116

>  <Item Name> (1,932)
Sinomenine hydrochloride

>  <Catalog Number> (1,932)
S3758

>  <Synonyms> (1,932)
Cucoline hydrochloride, Kukoline hydrochloride, Sabianine A hydrochloride

>  <Target> (1,932)
Immunology & Inflammation

>  <Form> (1,932)
hydrochloride

>  <URL> (1,932)
http://www.selleckchem.com/products/sinomenine-hydrochloride.html

>  <CAS Number> (1,932)
6080-33-7

$$$$
S3760 Stachydrine hydrochloride.cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.2655    1.6374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1321    2.4310    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5723    2.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8474    0.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0604    3.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1871    3.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8391    3.4549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6199    1.1889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4460    0.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0619    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,933)
1933

>  <Formula> (1,933)
C7H14ClNO2

>  <MolWeight> (1,933)
179.64456

>  <Item Name> (1,933)
Stachydrine hydrochloride

>  <Catalog Number> (1,933)
S3760

>  <Synonyms> (1,933)
N/A

>  <Target> (1,933)
Others

>  <Form> (1,933)
chloride

>  <URL> (1,933)
http://www.selleckchem.com/products/stachydrine-hydrochloride.html

>  <CAS Number> (1,933)
4136-37-2

$$$$
S3764 Isoferulic Acid.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.8451    3.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    2.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    4.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    4.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2707    3.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4106    3.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5012    4.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    1.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7407    3.4808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5012    5.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,934)
1934

>  <Formula> (1,934)
C10H10O4

>  <MolWeight> (1,934)
194.184

>  <Item Name> (1,934)
Isoferulic Acid

>  <Catalog Number> (1,934)
S3764

>  <Synonyms> (1,934)
Hesperetic acid, Hesperetate, Isoferulate

>  <Target> (1,934)
Others

>  <Form> (1,934)
free base

>  <URL> (1,934)
http://www.selleckchem.com/products/isoferulic-acid.html

>  <CAS Number> (1,934)
537-73-5

$$$$
S3777 Gentiopicroside.cdx
csChFnd80/10101813032D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  6  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  6  0  0  0
 18 21  1  0  0  0  0
 18 22  1  1  0  0  0
 19 23  1  1  0  0  0
 19 21  1  0  0  0  0
 21 24  1  6  0  0  0
 22 25  1  0  0  0  0
 15 26  1  6  0  0  0
M  END
>  <Mol_ID> (1,935)
1935

>  <Formula> (1,935)
C16H20O9

>  <MolWeight> (1,935)
356.3246

>  <Item Name> (1,935)
Gentiopicroside

>  <Catalog Number> (1,935)
S3777

>  <Synonyms> (1,935)
Gentiopicrin

>  <Target> (1,935)
CYP2A6,CYP2E1

>  <Form> (1,935)
free base

>  <URL> (1,935)
http://www.selleckchem.com/products/gentiopicroside.html

>  <CAS Number> (1,935)
20831-76-9

$$$$
S3782 Neomangiferin.cdx
csChFnd80/10101813032D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.4727    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    2.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6871    2.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    2.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0442    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8946    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8946    2.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6871    4.1467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0442    2.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    4.1467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8297    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1089    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0675    2.7668    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8297    2.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3096    2.0906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0537    4.2502    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6223    2.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3233    4.9609    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8532    4.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    2.7668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5999    4.2295    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8279    2.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2819    6.4306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    4.1260    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8141    4.9816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1042    2.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5739    4.7883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    4.7539    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5739    6.2166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2143    6.1752    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0414    4.1054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    6.9066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8504    6.8790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4287    8.2865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8781    8.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
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  5 10  1  0  0  0  0
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  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
 15  9  1  1  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  6  0  0  0
 20 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  1  0  0  0
 23 28  1  1  0  0  0
 23 26  1  0  0  0  0
 29 25  1  1  0  0  0
 26 30  1  6  0  0  0
 27 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  6  0  0  0
 34 37  1  0  0  0  0
 34 38  1  1  0  0  0
 35 39  1  1  0  0  0
 35 37  1  0  0  0  0
 37 40  1  6  0  0  0
 38 41  1  0  0  0  0
M  END
>  <Mol_ID> (1,936)
1936

>  <Formula> (1,936)
C25H28O16

>  <MolWeight> (1,936)
584.48022

>  <Item Name> (1,936)
Neomangiferin

>  <Catalog Number> (1,936)
S3782

>  <Synonyms> (1,936)
Mangiferin 7-glucoside

>  <Target> (1,936)
Others

>  <Form> (1,936)
free base

>  <URL> (1,936)
http://www.selleckchem.com/products/neomangiferin.html

>  <CAS Number> (1,936)
64809-67-2

$$$$
S3783 Echinacoside.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,937)
1937

>  <Formula> (1,937)
C35H46O20

>  <MolWeight> (1,937)
786.72774

>  <Item Name> (1,937)
Echinacoside

>  <Catalog Number> (1,937)
S3783

>  <Synonyms> (1,937)
N/A

>  <Target> (1,937)
Others

>  <Form> (1,937)
free base

>  <URL> (1,937)
http://www.selleckchem.com/products/echinacoside.html

>  <CAS Number> (1,937)
82854-37-3

$$$$
S3784 Obacunone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,938)
1938

>  <Formula> (1,938)
C26H30O7

>  <MolWeight> (1,938)
454.5122

>  <Item Name> (1,938)
Obacunone

>  <Catalog Number> (1,938)
S3784

>  <Synonyms> (1,938)
N/A

>  <Target> (1,938)
Nrf2,Aromatase

>  <Form> (1,938)
free base

>  <URL> (1,938)
http://www.selleckchem.com/products/obacunone.html

>  <CAS Number> (1,938)
751-03-1

$$$$
S3786 Glabridin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,939)
1939

>  <Formula> (1,939)
C20H20O4

>  <MolWeight> (1,939)
324.3704

>  <Item Name> (1,939)
Glabridin

>  <Catalog Number> (1,939)
S3786

>  <Synonyms> (1,939)
Q-100692, KB-289522, LS-176045

>  <Target> (1,939)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (1,939)
free base

>  <URL> (1,939)
http://www.selleckchem.com/products/glabridin.html

>  <CAS Number> (1,939)
59870-68-7

$$$$
S3787 Picroside I.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,940)
1940

>  <Formula> (1,940)
C24H28O11

>  <MolWeight> (1,940)
492.47252

>  <Item Name> (1,940)
Picroside I

>  <Catalog Number> (1,940)
S3787

>  <Synonyms> (1,940)
6'-Cinnamoylcatalpol

>  <Target> (1,940)
Antifection

>  <Form> (1,940)
free base

>  <URL> (1,940)
http://www.selleckchem.com/products/picroside-i.html

>  <CAS Number> (1,940)
27409-30-9

$$$$
S3780 Secoisolariciresinol diglucoside.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,941)
1941

>  <Formula> (1,941)
C32H46O16

>  <MolWeight> (1,941)
686.69804

>  <Item Name> (1,941)
Secoisolariciresinol diglucoside

>  <Catalog Number> (1,941)
S3780

>  <Synonyms> (1,941)
N/A

>  <Target> (1,941)
Others

>  <Form> (1,941)
free base

>  <URL> (1,941)
http://www.selleckchem.com/products/secoisolariciresinol-diglucoside.html

>  <CAS Number> (1,941)
148244-82-0

$$$$
S3911 Veratramine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (1,942)
1942

>  <Formula> (1,942)
C27H39NO2

>  <MolWeight> (1,942)
409.60406

>  <Item Name> (1,942)
Veratramine

>  <Catalog Number> (1,942)
S3911

>  <Synonyms> (1,942)
NSC 17821, NSC 23880

>  <Target> (1,942)
Sodium Channel

>  <Form> (1,942)
free base

>  <URL> (1,942)
http://www.selleckchem.com/products/veratramine.html

>  <CAS Number> (1,942)
60-70-8

$$$$
S3912 Cephalotaxine.cdx
csChFnd80/10101813032D

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  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  1  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 17  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
  2 21  1  6  0  0  0
 22 23  1  0  0  0  0
 23  3  1  0  0  0  0
  1 24  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,943)
1943

>  <Formula> (1,943)
C18H21NO4

>  <MolWeight> (1,943)
315.36364

>  <Item Name> (1,943)
Cephalotaxine

>  <Catalog Number> (1,943)
S3912

>  <Synonyms> (1,943)
N/A

>  <Target> (1,943)
Others

>  <Form> (1,943)
free base

>  <URL> (1,943)
http://www.selleckchem.com/products/cephalotaxine.html

>  <CAS Number> (1,943)
24316-19-6

$$$$
S3918 4',7-Dimethoxy-5-Hydroxyflavone.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,944)
1944

>  <Formula> (1,944)
C17H14O5

>  <MolWeight> (1,944)
298.29006

>  <Item Name> (1,944)
4',7-Dimethoxy-5-Hydroxyflavone

>  <Catalog Number> (1,944)
S3918

>  <Synonyms> (1,944)
apigenin dimethylether; apigenin 7,4'-dimethyl ether; genkwanin 4'-methyl ether

>  <Target> (1,944)
Others

>  <Form> (1,944)
free base

>  <URL> (1,944)
http://www.selleckchem.com/products/4-7-dimethoxy-5-hydroxyflavone.html

>  <CAS Number> (1,944)
5128-44-9

$$$$
S3929 Liquiritigenin.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  2  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 15 18  1  0  0  0  0
  1 12  1  1  0  0  0
  8 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,945)
1945

>  <Formula> (1,945)
C15H12O4

>  <MolWeight> (1,945)
256.25338

>  <Item Name> (1,945)
Liquiritigenin

>  <Catalog Number> (1,945)
S3929

>  <Synonyms> (1,945)
4',7-Dihydroxyflavanone

>  <Target> (1,945)
ER¦Â,VEGF

>  <Form> (1,945)
free base

>  <URL> (1,945)
http://www.selleckchem.com/products/liquiritigenin.html

>  <CAS Number> (1,945)
578-86-9

$$$$
S3930 Liquiritin.cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6280    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    3.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8478    1.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4137    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8408    4.2181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139    4.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8478    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2001    2.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0481    3.5211    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2071    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2559    4.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2559    5.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4666    3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4632    6.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6780    4.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792    5.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8892    6.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0948    5.6125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0948    4.2114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3106    6.3145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3072    3.5114    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5271    5.6121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3106    7.7075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5172    4.2100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3072    2.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7314    6.3074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7307    3.5095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5118    1.4150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  6  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  6  0  0  0
 23 26  1  0  0  0  0
 23 27  1  1  0  0  0
 24 28  1  1  0  0  0
 24 26  1  0  0  0  0
 26 29  1  6  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,946)
1946

>  <Formula> (1,946)
C21H22O9

>  <MolWeight> (1,946)
418.39398

>  <Item Name> (1,946)
Liquiritin

>  <Catalog Number> (1,946)
S3930

>  <Synonyms> (1,946)
Liquiritoside, Liquiritigenin-4'-O-glucoside

>  <Target> (1,946)
Others

>  <Form> (1,946)
free base

>  <URL> (1,946)
http://www.selleckchem.com/products/liquiritin.html

>  <CAS Number> (1,946)
551-15-5

$$$$
S3932 Astilbin.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0942    6.3287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0942    4.9251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3308    7.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8941    7.0331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8941    4.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3308    4.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5308    6.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3308    8.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6732    6.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6732    4.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8941    2.8381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5252    3.5087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7623    7.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5308    9.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419    7.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419    4.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5113    2.1225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7307    4.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7623    8.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2366    6.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2366    4.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419    2.8381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7326    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2949    1.4295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9386    3.4993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0145    9.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9411    2.0792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7108    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1424    4.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1355    1.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295   10.5515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
 12  6  1  6  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  1  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 20 21  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 28 31  1  6  0  0  0
 14 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,947)
1947

>  <Formula> (1,947)
C21H22O11

>  <MolWeight> (1,947)
450.39278

>  <Item Name> (1,947)
Astilbin

>  <Catalog Number> (1,947)
S3932

>  <Synonyms> (1,947)
Isoastilbin, Neoastilbin, Neoisoastilbin, Taxifolin 3-O-rhamnoside, Taxifolin 3-rhamnoside

>  <Target> (1,947)
Immunology & Inflammation related

>  <Form> (1,947)
free base

>  <URL> (1,947)
http://www.selleckchem.com/products/astilbin.html

>  <CAS Number> (1,947)
29838-67-3

$$$$
S3933 10-deacetyl-paclitaxel,10-DAT.cdx
csChFnd80/10101813032D

 61 67  0  0  0  0  0  0  0  0999 V2000
   16.6230    5.4612    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7876    6.5983    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0308    5.6314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8706    4.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8806    4.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4572    6.0801    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3291    7.8902    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3480    4.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5879    6.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7545    3.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1807    6.7916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3643    4.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7291    8.0447    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8030    9.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9402    9.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1393    3.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2517    1.8721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8926    8.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2862    9.3522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8828    8.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7898    7.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0692    8.0061    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0339    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8968    4.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1015   11.0693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7807    9.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6844    8.0061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8348    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2483    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0692   10.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4699    8.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8194    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2483    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2557    8.0061    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4699   10.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0339    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412    8.6946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2557    6.6216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412   10.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8267   10.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6278    8.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267   12.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2557   12.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    8.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6278   10.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412   12.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    8.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    6.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    5.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3700    5.2523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3923    5.3297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 60  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 61  1  6  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  1  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
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 18 25  1  0  0  0  0
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 19 28  1  0  0  0  0
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 28 32  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  2  0  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 34 38  2  0  0  0  0
 35 39  1  0  0  0  0
 37 40  1  0  0  0  0
 37 41  2  0  0  0  0
 38 42  1  0  0  0  0
 39 42  2  0  0  0  0
 40 43  1  0  0  0  0
 40 44  1  6  0  0  0
 43 45  1  0  0  0  0
 43 46  1  1  0  0  0
 45 47  2  0  0  0  0
 45 48  1  0  0  0  0
 46 49  1  0  0  0  0
 47 50  1  0  0  0  0
 48 51  2  0  0  0  0
 49 52  1  0  0  0  0
 49 53  2  0  0  0  0
 50 54  2  0  0  0  0
 51 54  1  0  0  0  0
 52 55  2  0  0  0  0
 52 56  1  0  0  0  0
 55 57  1  0  0  0  0
 56 58  2  0  0  0  0
 57 59  2  0  0  0  0
 58 59  1  0  0  0  0
M  END
>  <Mol_ID> (1,948)
1948

>  <Formula> (1,948)
C45H49NO13

>  <MolWeight> (1,948)
811.86946

>  <Item Name> (1,948)
10-deacetyl-paclitaxel

>  <Catalog Number> (1,948)
S3933

>  <Synonyms> (1,948)
10-DAT, Deacetyl Paclitaxel

>  <Target> (1,948)
Others

>  <Form> (1,948)
free base

>  <URL> (1,948)
http://www.selleckchem.com/products/10-deacetyl-paclitaxel.html

>  <CAS Number> (1,948)
78432-77-6

$$$$
S3754 4-Hydroxybenzoic acid.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2303    4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2303    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0063    3.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4204    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4468    6.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0219    6.2844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,949)
1949

>  <Formula> (1,949)
C7H6O3

>  <MolWeight> (1,949)
138.12074

>  <Item Name> (1,949)
4-Hydroxybenzoic acid

>  <Catalog Number> (1,949)
S3754

>  <Synonyms> (1,949)
p-hydroxybenzoic acid, PHBA, para-Hydroxybenzoic acid, 4-hydroxybenzoate

>  <Target> (1,949)
Others

>  <Form> (1,949)
free base

>  <URL> (1,949)
http://www.selleckchem.com/products/4-hydroxybenzoic-acid.html

>  <CAS Number> (1,949)
99-96-7

$$$$
S3755 Betaine.cdx
csChFnd80/10101813032D

  8  7  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,950)
1950

>  <Formula> (1,950)
C5H11NO2

>  <MolWeight> (1,950)
117.14634

>  <Item Name> (1,950)
Betaine

>  <Catalog Number> (1,950)
S3755

>  <Synonyms> (1,950)
trimethylglycine, glycine betaine, lycine, oxyneurine

>  <Target> (1,950)
Others

>  <Form> (1,950)
inner salt

>  <URL> (1,950)
http://www.selleckchem.com/products/betaine.html

>  <CAS Number> (1,950)
107-43-7

$$$$
S3757 2'-Deoxyinosine.cdx
csChFnd80/10101813032D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.7417    5.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4196    5.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650    3.8724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5849    6.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    7.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    4.9600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3473    2.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4872    3.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7670    7.4714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054    7.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1623    1.6064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4829    2.0314    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0163    7.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2054    9.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7178    0.2788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6115    1.2030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3459    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  1  0  0  0
 12 13  1  0  0  0  0
 13 17  1  6  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,951)
1951

>  <Formula> (1,951)
C10H12N4O4

>  <MolWeight> (1,951)
252.22668

>  <Item Name> (1,951)
2'-Deoxyinosine

>  <Catalog Number> (1,951)
S3757

>  <Synonyms> (1,951)
Guanine deoxyriboside, Deoxyinosine

>  <Target> (1,951)
Others

>  <Form> (1,951)
free base

>  <URL> (1,951)
http://www.selleckchem.com/products/2-deoxyinosine.html

>  <CAS Number> (1,951)
890-38-0

$$$$
S3837 Echinocystic acid.cdx
csChFnd80/10101813032D

 37 41  0  0  0  0  0  0  0  0999 V2000
    9.7780    5.5715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5296    6.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7780    4.1614    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9728    6.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9728    4.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3299    5.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5296    7.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5099    3.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9925    7.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1492    3.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0648    5.4052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2956    4.1811    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1059    6.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7780    8.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1059    3.5053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2956    2.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3706    9.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830    9.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9650    4.1811    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1059    2.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6969    3.4858    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9306    1.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7164    2.0755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4826    4.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7164    4.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2340    3.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.0755    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    1.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9846    2.8395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 24 33  1  6  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 35  1  0  0  0  0
 27 36  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
M  END
>  <Mol_ID> (1,952)
1952

>  <Formula> (1,952)
C30H48O4

>  <MolWeight> (1,952)
472.69972

>  <Item Name> (1,952)
Echinocystic acid

>  <Catalog Number> (1,952)
S3837

>  <Synonyms> (1,952)
N/A

>  <Target> (1,952)
Immunology & Inflammation

>  <Form> (1,952)
free base

>  <URL> (1,952)
http://www.selleckchem.com/products/echinocystic-acid.html

>  <CAS Number> (1,952)
510-30-5

$$$$
S3844 Rosavin.cdx
csChFnd80/10101813032D

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.2707    3.5034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4805    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2707    2.0964    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0583    4.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6843    3.5027    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4812    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0583    1.3964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8461    3.5035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6843    2.0971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8968    4.2027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4812    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2142    4.2031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.5343    3.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7474    5.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9595    3.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9556    6.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1675    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1684    5.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  6  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  1  0  0  0
  6  9  1  0  0  0  0
 12  8  1  1  0  0  0
  9 13  1  6  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  6  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  1  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  1  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,953)
1953

>  <Formula> (1,953)
C20H28O10

>  <MolWeight> (1,953)
428.43032

>  <Item Name> (1,953)
Rosavin

>  <Catalog Number> (1,953)
S3844

>  <Synonyms> (1,953)
N/A

>  <Target> (1,953)
Others

>  <Form> (1,953)
free base

>  <URL> (1,953)
http://www.selleckchem.com/products/rosavin.html

>  <CAS Number> (1,953)
84954-92-7

$$$$
S3846 Eupatilin.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4324    4.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    2.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    4.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    4.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2614    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2614    4.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    4.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    2.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4564    0.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6655    0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6796    2.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8886    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8815    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0836    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3068    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3139    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0977    2.8141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0384    6.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    2.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    4.9212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6272    6.3283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  6  1  0  0  0  0
  5  4  1  0  0  0  0
  4 25  1  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 21  2  0  0  0  0
 11 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 15 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,954)
1954

>  <Formula> (1,954)
C18H16O7

>  <MolWeight> (1,954)
344.31544

>  <Item Name> (1,954)
Eupatilin

>  <Catalog Number> (1,954)
S3846

>  <Synonyms> (1,954)
NSC 122413

>  <Target> (1,954)
Others

>  <Form> (1,954)
free base

>  <URL> (1,954)
http://www.selleckchem.com/products/eupatilin.html

>  <CAS Number> (1,954)
22368-21-4

$$$$
S3848 Hydroxytyrosol Acetate.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    8.4868    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
 12  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,955)
1955

>  <Formula> (1,955)
C10H12O4

>  <MolWeight> (1,955)
196.19988

>  <Item Name> (1,955)
Hydroxytyrosol Acetate

>  <Catalog Number> (1,955)
S3848

>  <Synonyms> (1,955)
HTy-Ac

>  <Target> (1,955)
Others

>  <Form> (1,955)
free base

>  <URL> (1,955)
http://www.selleckchem.com/products/hydroxytyrosol-acetate.html

>  <CAS Number> (1,955)
69039-02-7

$$$$
S4766 Gibberellic acid.cdx
csChFnd80/10101813032D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.0513    4.4188    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4356    4.5089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7071    3.0620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3133    5.5568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    5.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9478    3.2067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3077    5.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    2.3267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3503    2.6905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7139    4.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6971    5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3479    3.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9137    1.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6921    5.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2010    0.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491    3.6720    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0100    4.6769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2159    4.1022    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4036    2.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5502    0.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2038    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5729    4.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6003    1.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4960    1.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1012    1.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0733    5.8612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  1  0  0  0
  6  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  1  0  0  0
  9 16  1  0  0  0  0
  9 10  1  6  0  0  0
  9 26  1  0  0  0  0
 10 17  2  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  1  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  1  0  0  0
 18 23  1  6  0  0  0
 18 19  1  1  0  0  0
 19 24  2  0  0  0  0
  2 27  1  1  0  0  0
M  CFW  22 BOND_GSTEREO 5
M  END
>  <Mol_ID> (1,956)
1956

>  <Formula> (1,956)
C19H22O6

>  <MolWeight> (1,956)
346.37438

>  <Item Name> (1,956)
Gibberellic acid

>  <Catalog Number> (1,956)
S4766

>  <Synonyms> (1,956)
Gibberellin, Gibberellin A3, GA3

>  <Target> (1,956)
Others

>  <Form> (1,956)
free base

>  <URL> (1,956)
http://www.selleckchem.com/products/gibberellic-acid.html

>  <CAS Number> (1,956)
77-06-5

$$$$
S3948 Spermine.cdx
csChFnd80/10101813032D

 14 13  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,957)
1957

>  <Formula> (1,957)
C10H26N4

>  <MolWeight> (1,957)
202.34024

>  <Item Name> (1,957)
Spermine

>  <Catalog Number> (1,957)
S3948

>  <Synonyms> (1,957)
4,9-Diaza-1,12-dodecanediamine

>  <Target> (1,957)
Others

>  <Form> (1,957)
free base

>  <URL> (1,957)
http://www.selleckchem.com/products/spermine.html

>  <CAS Number> (1,957)
71-44-3

$$$$
S3947 Hydroumbellic acid.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,958)
1958

>  <Formula> (1,958)
C9H10O4

>  <MolWeight> (1,958)
182.1733

>  <Item Name> (1,958)
Hydroumbellic acid

>  <Catalog Number> (1,958)
S3947

>  <Synonyms> (1,958)
2,4-Dihydroxyhydrocinnamic acid

>  <Target> (1,958)
Others

>  <Form> (1,958)
free base

>  <URL> (1,958)
http://www.selleckchem.com/products/hydroumbellic-acid.html

>  <CAS Number> (1,958)
5631-68-5

$$$$
S3946 Mesterolone.cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.1036    2.8704    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8893    3.5644    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3220    3.5644    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1036    1.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6709    2.8704    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8893    4.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3220    4.9484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7549    3.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8893    0.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6709    1.4864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4565    3.5644    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6709    4.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1036    5.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5365    5.6423    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3220    6.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7549    4.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4565    0.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2382    2.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4565    4.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5365    7.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2382    1.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1036    4.3176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8893    2.2830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3220    2.3696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6709    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 23  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 24  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 25  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  1  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  1  0  0  0
  7 13  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 10 26  1  6  0  0  0
 11 18  1  0  0  0  0
 11 19  1  6  0  0  0
 14 20  1  1  0  0  0
 14 16  1  0  0  0  0
 17 21  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,959)
1959

>  <Formula> (1,959)
C20H32O2

>  <MolWeight> (1,959)
304.46688

>  <Item Name> (1,959)
Mesterolone

>  <Catalog Number> (1,959)
S3946

>  <Synonyms> (1,959)
Androviron, Mesteranum, Proviron

>  <Target> (1,959)
Androgen receptor

>  <Form> (1,959)
free base

>  <URL> (1,959)
http://www.selleckchem.com/products/mesterolone.html

>  <CAS Number> (1,959)
1424-00-6

$$$$
S3945 L-Cycloserine.cdx
csChFnd80/10101813032D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.8345    2.1470    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2345    2.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157    0.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6808    0.8345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456    3.3025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,960)
1960

>  <Formula> (1,960)
C3H6N2O2

>  <MolWeight> (1,960)
102.09194

>  <Item Name> (1,960)
L-Cycloserine

>  <Catalog Number> (1,960)
S3945

>  <Synonyms> (1,960)
Levcycloserine, Levcicloserina, Levcycloserinum, (-)-Cycloserine, (S)-Cycloserine

>  <Target> (1,960)
3-ketodihydrosphingosine synthetase

>  <Form> (1,960)
free base

>  <URL> (1,960)
http://www.selleckchem.com/products/l-cycloserine.html

>  <CAS Number> (1,960)
339-72-0

$$$$
S3979 Zinc Undecylenate.cdx
csChFnd80/10101813032D

 27 24  0  0  0  0  0  0  0  0999 V2000
   14.4179    1.7498    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   13.3505    3.0039    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1744    3.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9389    3.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1744    5.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7272    3.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    3.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2805    3.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0570    3.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8573    3.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    3.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4457    3.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    3.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0105    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3400    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1638    0.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9284    0.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1638    2.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7166    0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4698    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2699    0.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    0.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    0.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    0.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4352    0.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999    0.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,961)
1961

>  <Formula> (1,961)
C22H38O4Zn

>  <MolWeight> (1,961)
431.92472

>  <Item Name> (1,961)
Zinc Undecylenate

>  <Catalog Number> (1,961)
S3979

>  <Synonyms> (1,961)
Zinc diundec-10-enoate, Zinc 10-undecenoate

>  <Target> (1,961)
Antifection

>  <Form> (1,961)
zinc salt

>  <URL> (1,961)
http://www.selleckchem.com/products/zinc-undecylenate.html

>  <CAS Number> (1,961)
557-08-4

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/10101813032D

 72 78  0  0  0  0  0  0  0  0999 V2000
    6.0656    3.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6408    3.4994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6415    2.0994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8543    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4280    4.1987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    1.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756    8.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    7.7006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0642    6.3006    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2770    5.6013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4891    6.3019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4884    7.7019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7004    8.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9132    7.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7019    5.6025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2777    4.2013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234   13.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114   12.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121   10.9181    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249   10.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369   10.9194    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497   10.2200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0618   10.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611   12.3206    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2732   13.0213    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6049   12.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4272   13.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6037   14.8546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2724   14.4213    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0597   15.1206    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8476   14.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   13.0200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6362   12.3194    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2948   16.7403    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7226   18.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3322   18.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7599   19.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3695   19.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7973   20.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6718   16.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0868   14.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5678   15.9073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9448   16.1469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8408   15.0742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3598   13.7619    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9829   13.5223    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5019   12.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3979   11.1373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2559   12.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2178   15.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4257   17.4592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5513   18.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355   13.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3253    9.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5255    9.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0589   16.5206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4181   15.8137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9946   17.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4200   11.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483   11.6204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.6192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611   13.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9556   15.2168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    9.1002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    4.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  1  1  0  0  0
  4  8  1  1  0  0  0
  5  9  1  6  0  0  0
  6 10  1  1  0  0  0
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 47 52  1  0  0  0  0
 53 54  1  0  0  0  0
 52 53  1  1  0  0  0
 51 55  1  6  0  0  0
 50 56  1  1  0  0  0
 49 57  1  6  0  0  0
 48 46  1  1  0  0  0
 40 46  1  0  0  0  0
 44 58  1  0  0  0  0
 34 40  1  0  0  0  0
 39 59  1  1  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 36 62  1  1  0  0  0
 25 63  1  1  0  0  0
 28 22  1  6  0  0  0
 13 22  1  0  0  0  0
 14 11  1  1  0  0  0
  2 11  1  0  0  0  0
 35 64  1  1  0  0  0
 40 65  1  1  0  0  0
 31 66  1  6  0  0  0
 38 67  1  6  0  0  0
 27 68  1  6  0  0  0
 30 69  1  1  0  0  0
 34 70  1  6  0  0  0
 13 71  1  1  0  0  0
  2 72  1  1  0  0  0
M  END
>  <Mol_ID> (1,962)
1962

>  <Formula> (1,962)
C48H82O18

>  <MolWeight> (1,962)
947.15388

>  <Item Name> (1,962)
Ginsenoside Re

>  <Catalog Number> (1,962)
S3811

>  <Synonyms> (1,962)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (1,962)
Others

>  <Form> (1,962)
free base

>  <URL> (1,962)
http://www.selleckchem.com/products/ginsenoside-re.html

>  <CAS Number> (1,962)
52286-59-6

$$$$
S3812 Monocrotaline.cdx
csChFnd80/10101813032D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.8705    1.8541    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5374    2.2873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.4543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2038    2.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7166    1.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0290    3.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5374    0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2081    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0246    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8122    3.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9040    4.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0248    4.6873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3956    5.9788    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2831    4.4663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6413    5.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2707    7.0705    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081    7.0747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0330    6.0498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3623    8.4787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7830    8.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8789    3.2707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 24  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
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 15 18  1  0  0  0  0
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 16 20  1  1  0  0  0
 16 21  1  6  0  0  0
 16 18  1  0  0  0  0
 18 22  1  6  0  0  0
 18 23  1  1  0  0  0
M  END
>  <Mol_ID> (1,963)
1963

>  <Formula> (1,963)
C16H23NO6

>  <MolWeight> (1,963)
325.35692

>  <Item Name> (1,963)
Monocrotaline

>  <Catalog Number> (1,963)
S3812

>  <Synonyms> (1,963)
Crotaline

>  <Target> (1,963)
Others

>  <Form> (1,963)
free base

>  <URL> (1,963)
http://www.selleckchem.com/products/monocrotaline.html

>  <CAS Number> (1,963)
315-22-0

$$$$
S3885 Pyrogallol.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4213    1.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    3.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    3.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    1.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,964)
1964

>  <Formula> (1,964)
C6H6O3

>  <MolWeight> (1,964)
126.11004

>  <Item Name> (1,964)
Pyrogallol

>  <Catalog Number> (1,964)
S3885

>  <Synonyms> (1,964)
1,2,3-trihydroxybenzene

>  <Target> (1,964)
ROS

>  <Form> (1,964)
free base

>  <URL> (1,964)
http://www.selleckchem.com/products/pyrogallol.html

>  <CAS Number> (1,964)
87-66-1

$$$$
S3886 Quinic acid.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6494    3.4914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1374    4.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6396    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0264    3.2387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5178    5.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450    5.8823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4175    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2271    3.5126    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.1127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4175    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0146    4.2126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  1  0  0  0
  9 12  1  6  0  0  0
  9 10  1  0  0  0  0
 10 13  1  6  0  0  0
M  END
>  <Mol_ID> (1,965)
1965

>  <Formula> (1,965)
C7H12O6

>  <MolWeight> (1,965)
192.16658

>  <Item Name> (1,965)
Quinic acid

>  <Catalog Number> (1,965)
S3886

>  <Synonyms> (1,965)
Chinic acid, Kinic acid

>  <Target> (1,965)
Others

>  <Form> (1,965)
free base

>  <URL> (1,965)
http://www.selleckchem.com/products/quinic-acid.html

>  <CAS Number> (1,965)
77-95-2

$$$$
S3887 L-Rhamnose monohydrate.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1437    3.1068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  5  9  1  0  0  0  0
  5 10  1  6  0  0  0
  7 11  1  1  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,966)
1966

>  <Formula> (1,966)
C6H14O6

>  <MolWeight> (1,966)
182.17176

>  <Item Name> (1,966)
L-Rhamnose monohydrate

>  <Catalog Number> (1,966)
S3887

>  <Synonyms> (1,966)
6-deoxy-L-mannose monohydrate

>  <Target> (1,966)
Others

>  <Form> (1,966)
hydrate

>  <URL> (1,966)
http://www.selleckchem.com/products/l-rhamnose-monohydrate.html

>  <CAS Number> (1,966)
6155-35-7

$$$$
S3888 3,4`,5-Trimethoxy-trans-stilbene.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8487    4.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    4.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    2.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    4.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6311    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    4.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6311    0.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4867    4.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4187    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4867    6.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6955    4.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7074    7.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9027    4.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9195    6.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1255    7.0054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3323    6.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,967)
1967

>  <Formula> (1,967)
C17H18O3

>  <MolWeight> (1,967)
270.32302

>  <Item Name> (1,967)
3,4',5-Trimethoxy-trans-stilbene

>  <Catalog Number> (1,967)
S3888

>  <Synonyms> (1,967)
MR-3

>  <Target> (1,967)
Others

>  <Form> (1,967)
free base

>  <URL> (1,967)
http://www.selleckchem.com/products/3-4-5-trimethoxy-trans-stilbene.html

>  <CAS Number> (1,967)
22255-22-7

$$$$
S3889 Arteether.cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.1853    6.2825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9815    5.6102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3939    5.6102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1853    7.7029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5128    7.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9815    4.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6694    6.1086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3939    4.1899    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6024    6.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3939    8.3752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0896    8.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2902    7.8110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1853    3.4751    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2415    7.4536    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6024    3.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024    7.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3939    9.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7400    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1853    2.0972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3939    1.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3939    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6554    4.8624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917    4.8296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3499    9.0665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 23  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  6  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  6  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  1  0  0  0
  8 13  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  6  0  0  0
 10 16  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 13 19  1  1  0  0  0
 14 20  1  6  0  0  0
 14 18  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,968)
1968

>  <Formula> (1,968)
C17H28O5

>  <MolWeight> (1,968)
312.40122

>  <Item Name> (1,968)
Arteether

>  <Catalog Number> (1,968)
S3889

>  <Synonyms> (1,968)
N/A

>  <Target> (1,968)
Others

>  <Form> (1,968)
free base

>  <URL> (1,968)
http://www.selleckchem.com/products/arteether.html

>  <CAS Number> (1,968)
75887-54-6

$$$$
S3890 Leonurine.cdx
csChFnd80/10101813032D

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.4243    2.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597    4.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    4.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6421    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5596    4.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0721    4.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6421    4.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8593    2.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5596    2.8180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0721    6.3178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3471    4.9180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7720    4.9179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    2.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6421    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    4.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2851    4.2182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1347    4.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4972    4.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4297    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9223    4.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7098    4.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
 13  1  1  0  0  0  0
  2  8  2  0  0  0  0
  6  2  1  0  0  0  0
  2  7  1  0  0  0  0
  7  3  2  0  0  0  0
 15  3  1  0  0  0  0
  8  4  1  0  0  0  0
 14  4  1  0  0  0  0
  5 11  1  0  0  0  0
  9  5  2  0  0  0  0
 12  5  1  0  0  0  0
 10  6  2  0  0  0  0
 16  6  1  0  0  0  0
 11 17  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 18 16  1  0  0  0  0
 17 21  1  0  0  0  0
 22 18  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,969)
1969

>  <Formula> (1,969)
C14H21N3O5

>  <MolWeight> (1,969)
311.33364

>  <Item Name> (1,969)
Leonurine

>  <Catalog Number> (1,969)
S3890

>  <Synonyms> (1,969)
N/A

>  <Target> (1,969)
Others

>  <Form> (1,969)
free base

>  <URL> (1,969)
http://www.selleckchem.com/products/leonurine.html

>  <CAS Number> (1,969)
24697-74-3

$$$$
S3892 Isopsoralen.cdx
csChFnd80/10101813032D

 14 16  0  0  0  0  0  0  0  0999 V2000
    3.6531    2.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8776    1.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6531    3.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    1.4929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0986    2.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1761    0.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8776    4.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    4.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244    2.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0986    3.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0884    1.2613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244    3.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,970)
1970

>  <Formula> (1,970)
C11H6O3

>  <MolWeight> (1,970)
186.16354

>  <Item Name> (1,970)
Isopsoralen

>  <Catalog Number> (1,970)
S3892

>  <Synonyms> (1,970)
angelicin

>  <Target> (1,970)
Immunology & Inflammation related

>  <Form> (1,970)
free base

>  <URL> (1,970)
http://www.selleckchem.com/products/isopsoralen.html

>  <CAS Number> (1,970)
523-50-2

$$$$
S3873 Methyl 4-hydroxycinnamate.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6332    2.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6352    0.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460    2.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    0.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    2.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731    2.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4851    2.1357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731    4.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6976    2.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,971)
1971

>  <Formula> (1,971)
C10H10O3

>  <MolWeight> (1,971)
178.1846

>  <Item Name> (1,971)
Methyl 4-hydroxycinnamate

>  <Catalog Number> (1,971)
S3873

>  <Synonyms> (1,971)
OMpCA

>  <Target> (1,971)
Others

>  <Form> (1,971)
free base

>  <URL> (1,971)
http://www.selleckchem.com/products/methyl-4-hydroxycinnamate.html

>  <CAS Number> (1,971)
19367-38-5

$$$$
S3874 Curcumenol.cdx
csChFnd80/10101813032D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.7647    2.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7647    4.3230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4640    4.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6693    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0963    2.5261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6968    5.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    4.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183    3.6623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3070    2.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9212    3.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3311    4.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151    6.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3389    3.6623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171    1.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9613    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7647    5.5655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  1  0  0  0
  8  3  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,972)
1972

>  <Formula> (1,972)
C15H22O2

>  <MolWeight> (1,972)
234.33398

>  <Item Name> (1,972)
Curcumenol

>  <Catalog Number> (1,972)
S3874

>  <Synonyms> (1,972)
N/A

>  <Target> (1,972)
NF-¦ÊB

>  <Form> (1,972)
free base

>  <URL> (1,972)
http://www.selleckchem.com/products/curcumenol.html

>  <CAS Number> (1,972)
19431-84-6

$$$$
S3875 Alpinetin.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6848    2.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848    4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9014    2.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4131    2.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046    4.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9009    4.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1205    2.7652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046    6.2657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1218    4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9009    6.2816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3329    2.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1986    6.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3218    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5127    2.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5127    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7686    2.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7686    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,973)
1973

>  <Formula> (1,973)
C16H14O4

>  <MolWeight> (1,973)
270.27996

>  <Item Name> (1,973)
Alpinetin

>  <Catalog Number> (1,973)
S3875

>  <Synonyms> (1,973)
N/A

>  <Target> (1,973)
Others

>  <Form> (1,973)
free base

>  <URL> (1,973)
http://www.selleckchem.com/products/alpinetin.html

>  <CAS Number> (1,973)
36052-37-6

$$$$
S3877 Lysionotin.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    2.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    2.1023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    2.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    2.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    4.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    6.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6378    6.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    2.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4862    2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4852    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6976    0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9100    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9109    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6987    2.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    0.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    0.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.9038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1225    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3346    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 10  2  0  0  0  0
  9  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 14  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
 10  7  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 14 15  2  0  0  0  0
 19 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,974)
1974

>  <Formula> (1,974)
C18H16O7

>  <MolWeight> (1,974)
344.31544

>  <Item Name> (1,974)
Lysionotin

>  <Catalog Number> (1,974)
S3877

>  <Synonyms> (1,974)
N/A

>  <Target> (1,974)
Immunology & Inflammation related

>  <Form> (1,974)
free base

>  <URL> (1,974)
http://www.selleckchem.com/products/lysionotin.html

>  <CAS Number> (1,974)
152743-19-6

$$$$
S3878 Bavachinin.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.2761    2.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2761    4.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4953    2.0979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0691    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0613    4.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4834    4.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7086    2.7984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8531    2.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6987    4.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4834    6.2764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9183    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6361    2.1043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6428    4.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9183    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1308    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181    2.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    4.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1308    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3432    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3432    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    6.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5556    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,975)
1975

>  <Formula> (1,975)
C21H22O4

>  <MolWeight> (1,975)
338.39698

>  <Item Name> (1,975)
Bavachinin

>  <Catalog Number> (1,975)
S3878

>  <Synonyms> (1,975)
7-O-Methylbavachin

>  <Target> (1,975)
PPAR

>  <Form> (1,975)
free base

>  <URL> (1,975)
http://www.selleckchem.com/products/bavachinin.html

>  <CAS Number> (1,975)
19879-30-2

$$$$
S3881 Scopoletin.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.8567    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    0.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    2.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6532    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    0.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    2.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2810    0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    2.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4938    0.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,976)
1976

>  <Formula> (1,976)
C10H8O4

>  <MolWeight> (1,976)
192.16812

>  <Item Name> (1,976)
Scopoletin

>  <Catalog Number> (1,976)
S3881

>  <Synonyms> (1,976)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (1,976)
Immunology & Inflammation related

>  <Form> (1,976)
free base

>  <URL> (1,976)
http://www.selleckchem.com/products/scopoletin.html

>  <CAS Number> (1,976)
92-61-5

$$$$
S3883 Protopine.cdx
csChFnd80/10101813032D

 26 30  0  0  0  0  0  0  0  0999 V2000
    4.5804    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5804    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    4.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3690    1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1533    3.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1555    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8211    3.9267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8247    1.6614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7939    1.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0052    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0052    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7939    4.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2177    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4301    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4301    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2177    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6425    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6425    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4301    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2177    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9740    3.7674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7969    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9740    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7945    5.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2177    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  1  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 13 25  2  0  0  0  0
 14 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,977)
1977

>  <Formula> (1,977)
C20H19NO5

>  <MolWeight> (1,977)
353.36856

>  <Item Name> (1,977)
Protopine

>  <Catalog Number> (1,977)
S3883

>  <Synonyms> (1,977)
Corydinine, Fumarine, Biflorine, Macleyine

>  <Target> (1,977)
Calcium channel/Histamine Receptor

>  <Form> (1,977)
free base

>  <URL> (1,977)
http://www.selleckchem.com/products/protopine.html

>  <CAS Number> (1,977)
130-86-9

$$$$
S3884 Jatrorrhizine.cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,978)
1978

>  <Formula> (1,978)
C20H20NO4+

>  <MolWeight> (1,978)
338.3771

>  <Item Name> (1,978)
Jatrorrhizine

>  <Catalog Number> (1,978)
S3884

>  <Synonyms> (1,978)
neprotin, Yatrorizine

>  <Target> (1,978)
AChE

>  <Form> (1,978)
free base

>  <URL> (1,978)
http://www.selleckchem.com/products/jatrorrhizine.html

>  <CAS Number> (1,978)
3621-38-3

$$$$
S3800 Lycorine hydrochloride.cdx
csChFnd80/10101813032D

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.7871    2.8003    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9973    2.0984    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5771    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7871    4.1968    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9973    0.7019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2110    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5771    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3634    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9973    4.8987    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5624    4.9062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4632    0.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2126    1.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2110    4.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3634    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1532    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9973    6.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1532    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8226    2.5335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8226    0.2669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5624    3.5060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9973    3.5133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8720    2.5745    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 22  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 23  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  6  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  7 11  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  1  0  0  0
  9 14  1  0  0  0  0
 12 13  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,979)
1979

>  <Formula> (1,979)
C16H18ClNO4

>  <MolWeight> (1,979)
323.77142

>  <Item Name> (1,979)
Lycorine hydrochloride

>  <Catalog Number> (1,979)
S3800

>  <Synonyms> (1,979)
Galanthidine hydrochloride, Amarylline hydrochloride, Narcissine hydrochloride, Licorine hydrochlorid

>  <Target> (1,979)
HCV proteases

>  <Form> (1,979)
hydrochloride

>  <URL> (1,979)
http://www.selleckchem.com/products/lycorine-hydrochloride.html

>  <CAS Number> (1,979)
2188-68-3

$$$$
S3802 Trigonelline Hydrochloride.cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.4322    2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4242    3.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074    2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    5.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    3.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    1.1689    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  7  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,980)
1980

>  <Formula> (1,980)
C7H8ClNO2

>  <MolWeight> (1,980)
173.59692

>  <Item Name> (1,980)
Trigonelline Hydrochloride

>  <Catalog Number> (1,980)
S3802

>  <Synonyms> (1,980)
Nicotinic acid N-methylbetaine Hydrochloride, Coffearine Hydrochloride, Coffearine Hydrochloride

>  <Target> (1,980)
Others

>  <Form> (1,980)
chloride

>  <URL> (1,980)
http://www.selleckchem.com/products/trigonelline-hydrochloride.html

>  <CAS Number> (1,980)
6138-41-6

$$$$
S3803 Angelic acid.cdx
csChFnd80/10101813032D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,981)
1981

>  <Formula> (1,981)
C5H8O2

>  <MolWeight> (1,981)
100.11582

>  <Catalog Number> (1,981)
S3803

>  <Synonyms> (1,981)
(Z)-2-Methylbut-2-enoic acid

>  <Target> (1,981)
Others

>  <Form> (1,981)
free base

>  <URL> (1,981)
http://www.selleckchem.com/products/angelic-acid.html

>  <CAS Number> (1,981)
565-63-9

$$$$
S3804 Alpha-Mangostin.cdx
csChFnd80/10101813032D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.8632    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8632    0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    2.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    2.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    0.0265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    0.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4319    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    4.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2945    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    4.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2945    0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4319    0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    2.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    4.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4863    2.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4863    0.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    6.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4863    4.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    0.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2454    7.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    7.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9441    2.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9441    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1563    2.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3493    2.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5662    2.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3412    4.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 11  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 21  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,982)
1982

>  <Formula> (1,982)
C24H26O6

>  <MolWeight> (1,982)
410.45964

>  <Item Name> (1,982)
Alpha-Mangostin

>  <Catalog Number> (1,982)
S3804

>  <Synonyms> (1,982)
N/A

>  <Target> (1,982)
Others

>  <Form> (1,982)
free base

>  <URL> (1,982)
http://www.selleckchem.com/products/alpha-mangostin.html

>  <CAS Number> (1,982)
6147-11-1

$$$$
S3807 Dehydroandrographolide.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.6568    3.0971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6568    4.4971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8805    2.3971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4329    2.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    5.1874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8805    5.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6568    5.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    3.0971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3568    1.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455    1.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994    3.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    6.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994    4.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    4.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3133    2.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8141    7.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1488    8.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2373    7.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5964    9.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3962    8.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0034    9.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7810   10.6024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6568    1.6872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2041    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 24  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  6  0  0  0
  4 11  1  0  0  0  0
  5 12  1  6  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  8 15  1  1  0  0  0
  8 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  1  0  0  0  0
  9 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,983)
1983

>  <Formula> (1,983)
C20H28O4

>  <MolWeight> (1,983)
332.43392

>  <Item Name> (1,983)
Dehydroandrographolide

>  <Catalog Number> (1,983)
S3807

>  <Synonyms> (1,983)
N/A

>  <Target> (1,983)
Others

>  <Form> (1,983)
free base

>  <URL> (1,983)
http://www.selleckchem.com/products/dehydroandrographolide.html

>  <CAS Number> (1,983)
134418-28-3

$$$$
S3808 Mangiferin.cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.4961    4.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4961    5.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092    3.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    3.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7132    6.3151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3011    6.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098    4.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092    2.1213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9238    4.2490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    2.1356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9207    5.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1031    5.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831    3.5216    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1392    3.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1377    6.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8920    6.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6572    4.2294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831    2.1158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3637    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3281    5.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    3.5195    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6432    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0895    1.4193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5691    3.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5682    6.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    2.1114    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2015    4.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    1.4091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 13  7  1  1  0  0  0
  7 12  2  0  0  0  0
  9 14  1  0  0  0  0
  9 11  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  6  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  1  0  0  0
 22 28  1  1  0  0  0
 22 26  1  0  0  0  0
 26 29  1  6  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,984)
1984

>  <Formula> (1,984)
C19H18O11

>  <MolWeight> (1,984)
422.33962

>  <Item Name> (1,984)
Mangiferin

>  <Catalog Number> (1,984)
S3808

>  <Synonyms> (1,984)
Alpizarin, Chinomin, Hedysarid

>  <Target> (1,984)
Others

>  <Form> (1,984)
free base

>  <URL> (1,984)
http://www.selleckchem.com/products/mangiferin.html

>  <CAS Number> (1,984)
4773-96-0

$$$$
S3809 Imperatorin.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.3622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5777    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1528    4.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5808    5.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886    3.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1559    5.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8204    3.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3699    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7947    6.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0018    4.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8254    6.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0056    5.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2142    3.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,985)
1985

>  <Formula> (1,985)
C16H14O4

>  <MolWeight> (1,985)
270.27996

>  <Item Name> (1,985)
Imperatorin

>  <Catalog Number> (1,985)
S3809

>  <Synonyms> (1,985)
Ammidin, Marmelosin, Pentosalen, 8-Isoamylenoxypsoralen, 8-Isopentenyloxypsoralene

>  <Target> (1,985)
Calcium channel

>  <Form> (1,985)
free base

>  <URL> (1,985)
http://www.selleckchem.com/products/imperatorin.html

>  <CAS Number> (1,985)
482-44-0

$$$$
S3847 Panaxatriol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,986)
1986

>  <Formula> (1,986)
C30H52O4

>  <MolWeight> (1,986)
476.73148

>  <Item Name> (1,986)
Panaxatriol

>  <Catalog Number> (1,986)
S3847

>  <Synonyms> (1,986)
N/A

>  <Target> (1,986)
Others

>  <Form> (1,986)
free base

>  <URL> (1,986)
http://www.selleckchem.com/products/panaxatriol.html

>  <CAS Number> (1,986)
32791-84-7

$$$$
S3915 Gracillin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,987)
1987

>  <Formula> (1,987)
C45H72O17

>  <MolWeight> (1,987)
885.04298

>  <Item Name> (1,987)
Gracillin

>  <Catalog Number> (1,987)
S3915

>  <Synonyms> (1,987)
N/A

>  <Target> (1,987)
Others

>  <Form> (1,987)
free base

>  <URL> (1,987)
http://www.selleckchem.com/products/gracillin.html

>  <CAS Number> (1,987)
19083-00-2

$$$$
S3916 Macranthoidin B.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,988)
1988

>  <Formula> (1,988)
C65H106O32

>  <MolWeight> (1,988)
1399.51794

>  <Item Name> (1,988)
Macranthoidin B

>  <Catalog Number> (1,988)
S3916

>  <Synonyms> (1,988)
 Macranthoiside I

>  <Target> (1,988)
Others

>  <Form> (1,988)
free base

>  <URL> (1,988)
http://www.selleckchem.com/products/macranthoidin-b.html

>  <CAS Number> (1,988)
136849-88-2

$$$$
S3919 Hederacoside C.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,989)
1989

>  <Formula> (1,989)
C59H96O26

>  <MolWeight> (1,989)
1221.37794

>  <Item Name> (1,989)
Hederacoside C

>  <Catalog Number> (1,989)
S3919

>  <Synonyms> (1,989)
Kalopanaxsaponin B

>  <Target> (1,989)
Others

>  <Form> (1,989)
free base

>  <URL> (1,989)
http://www.selleckchem.com/products/hederacoside-c.html

>  <CAS Number> (1,989)
14216-03-6

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,990)
1990

>  <Formula> (1,990)
C41H68O14

>  <MolWeight> (1,990)
784.97022

>  <Item Name> (1,990)
Astragaloside IV

>  <Catalog Number> (1,990)
S3901

>  <Synonyms> (1,990)
AST-IV, AS-IV

>  <Target> (1,990)
Others

>  <Form> (1,990)
free base

>  <URL> (1,990)
http://www.selleckchem.com/products/sastragaloside-iv.html

>  <CAS Number> (1,990)
84687-43-4

$$$$
S3778 Patchouli alcohol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (1,991)
1991

>  <Formula> (1,991)
C15H26O

>  <MolWeight> (1,991)
222.36634

>  <Item Name> (1,991)
Patchouli alcohol

>  <Catalog Number> (1,991)
S3778

>  <Synonyms> (1,991)
(-)-Patchouli Alcohol, Patchoulol, Patchouli camphor

>  <Target> (1,991)
Immunology & Inflammation related

>  <Form> (1,991)
free base

>  <URL> (1,991)
http://www.selleckchem.com/products/patchouli-alcohol.html

>  <CAS Number> (1,991)
5986-55-0

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/10101813032D

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    6.0454    2.1356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4354    2.1073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2162    1.4191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7242    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7242    3.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    7.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199    6.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    2.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1026    5.5434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    1.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8357    2.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6422    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7849    4.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2050    0.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6306    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6277    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0379    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
 11  1  1  0  0  0  0
  1  7  1  6  0  0  0
  1 15  1  0  0  0  0
  4  2  1  0  0  0  0
  2 23  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4 20  1  1  0  0  0
  5  4  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  1  0  0  0
  5  6  1  0  0  0  0
  6 22  1  1  0  0  0
  6  7  1  0  0  0  0
  7 25  1  1  0  0  0
  8 18  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 14 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  6  0  0  0
 12 13  1  0  0  0  0
 13 24  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  1  0  0  0
 16 17  1  0  0  0  0
 16 27  1  6  0  0  0
 17 29  1  6  0  0  0
 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,992)
1992

>  <Formula> (1,992)
C20H24O11

>  <MolWeight> (1,992)
440.39796

>  <Item Name> (1,992)
Ginkgolide C

>  <Catalog Number> (1,992)
S3781

>  <Synonyms> (1,992)
BN-52022

>  <Target> (1,992)
Others

>  <Form> (1,992)
free base

>  <URL> (1,992)
http://www.selleckchem.com/products/ginkgolide-c.html

>  <CAS Number> (1,992)
15291-76-6

$$$$
S3789 Tiglic acid.cdx
csChFnd80/10101813032D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,993)
1993

>  <Formula> (1,993)
C5H8O2

>  <MolWeight> (1,993)
100.11582

>  <Item Name> (1,993)
Tiglic acid

>  <Catalog Number> (1,993)
S3789

>  <Synonyms> (1,993)
Cevadic acid, Sabadillic acid, Tiglinic acid

>  <Target> (1,993)
Others

>  <Form> (1,993)
free base

>  <URL> (1,993)
http://www.selleckchem.com/products/tiglic-acid.html

>  <CAS Number> (1,993)
80-59-1

$$$$
S3790 Methyl gallate.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    5.6000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 10  2  0  0  0  0
  1 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,994)
1994

>  <Formula> (1,994)
C8H8O5

>  <MolWeight> (1,994)
184.14612

>  <Item Name> (1,994)
Methyl gallate

>  <Catalog Number> (1,994)
S3790

>  <Synonyms> (1,994)
Methylgallate, Gallic acid methyl ester, Gallicin

>  <Target> (1,994)
Immunology & Inflammation related

>  <Form> (1,994)
free base

>  <URL> (1,994)
http://www.selleckchem.com/products/methyl-gallate.html

>  <CAS Number> (1,994)
99-24-1

$$$$
S3791 Succinic acid.cdx
csChFnd80/10101813032D

  8  7  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,995)
1995

>  <Formula> (1,995)
C4H6O4

>  <MolWeight> (1,995)
118.08804

>  <Item Name> (1,995)
Succinic acid

>  <Catalog Number> (1,995)
S3791

>  <Synonyms> (1,995)
1,4-Butandioic Acid; 1,2-Ethanedicarboxylic acid; Amber acid; Asuccin; Butanedioic acid

>  <Target> (1,995)
Others

>  <Form> (1,995)
free base

>  <URL> (1,995)
http://www.selleckchem.com/products/succinic-acid.html

>  <CAS Number> (1,995)
110-15-6

$$$$
S3794 Palmitic acid.cdx
csChFnd80/10101813032D

 18 17  0  0  0  0  0  0  0  0999 V2000
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,996)
1996

>  <Formula> (1,996)
C16H32O2

>  <MolWeight> (1,996)
256.42408

>  <Item Name> (1,996)
Palmitic acid

>  <Catalog Number> (1,996)
S3794

>  <Synonyms> (1,996)
hexadecanoic acid, Cetylic acid

>  <Target> (1,996)
Others

>  <Form> (1,996)
free base

>  <URL> (1,996)
http://www.selleckchem.com/products/palmitic-acid.html

>  <CAS Number> (1,996)
57-10-3

$$$$
S3795 Phloretic acid.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6482    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4377    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    0.6937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8607    2.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    2.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2688    2.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5094    2.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2688    4.1447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,997)
1997

>  <Formula> (1,997)
C9H10O3

>  <MolWeight> (1,997)
166.1739

>  <Item Name> (1,997)
Phloretic acid

>  <Catalog Number> (1,997)
S3795

>  <Synonyms> (1,997)
Desaminotyrosine, Hydro-p-coumaric acid, Phloretate, 3-(4-Hydroxyphenyl)propanoic acid

>  <Target> (1,997)
Others

>  <Form> (1,997)
free base

>  <URL> (1,997)
http://www.selleckchem.com/products/phloretic-acid.html

>  <CAS Number> (1,997)
501-97-3

$$$$
S3796 Rebaudioside A.cdx
csChFnd80/10101813032D

 70 77  0  0  0  0  0  0  0  0999 V2000
    9.8975    4.2874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7487    4.9233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0873    4.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8670    3.9179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8975    2.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5899    4.2874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7487    6.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0873    6.2567    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5745    5.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7487    2.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5899    2.9129    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4412    4.9233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5899    5.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8975    6.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7483    7.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8774    5.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4412    2.2153    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2514    4.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1435    7.7766    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2514    2.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8873    1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9540    1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7895    9.0414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0130    6.6061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5230    0.9434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6771    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2270    9.1184    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9568   10.2155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3884    6.6538    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6717    2.0925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8733   10.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9672    7.9318    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.1674    5.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2770    3.4361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.9795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0544   11.1120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.3641    8.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5643    5.5836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4258    4.5847    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3947    3.0975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6717    0.6665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0853   12.5697    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.3636   10.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9691    4.4311    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9796    5.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8675   13.2602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3173   13.2628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.6096   11.1294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1794    5.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1589    7.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5511   12.5858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3064   14.6628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8274   10.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7578   13.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0397   11.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7487    3.7642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5899    1.6103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3353   11.4700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1121   12.6370    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4898   13.8932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0908   13.9824    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3140   12.8154    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9363   11.5592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9168   12.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2954   14.1590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4693   15.2369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5093   12.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2656   15.0587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3441   10.4787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 57  1  1  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  6  0  0  0
  7 14  1  0  0  0  0
  8 15  1  6  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 58  1  1  0  0  0
 12 18  1  0  0  0  0
 19 15  1  1  0  0  0
 17 20  1  0  0  0  0
 17 21  1  6  0  0  0
 17 22  1  1  0  0  0
 18 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  2  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  6  0  0  0
 24 29  1  0  0  0  0
 30 25  1  1  0  0  0
 27 31  1  1  0  0  0
 27 32  1  0  0  0  0
 29 33  1  1  0  0  0
 29 32  1  0  0  0  0
 30 34  1  0  0  0  0
 30 35  1  0  0  0  0
 36 31  1  1  0  0  0
 32 37  1  6  0  0  0
 33 38  1  0  0  0  0
 34 39  1  0  0  0  0
 35 40  1  0  0  0  0
 35 41  1  6  0  0  0
 36 42  1  0  0  0  0
 36 43  1  0  0  0  0
 39 44  1  0  0  0  0
 39 45  1  1  0  0  0
 40 46  1  1  0  0  0
 40 44  1  0  0  0  0
 42 47  1  6  0  0  0
 42 48  1  0  0  0  0
 43 49  1  0  0  0  0
 44 50  1  6  0  0  0
 45 51  1  0  0  0  0
 48 52  1  0  0  0  0
 48 53  1  1  0  0  0
 49 54  1  1  0  0  0
 49 52  1  0  0  0  0
 52 55  1  6  0  0  0
 54 56  1  0  0  0  0
 28 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 59  1  0  0  0  0
 63 65  1  6  0  0  0
 65 66  1  0  0  0  0
 62 67  1  1  0  0  0
 60 68  1  1  0  0  0
 61 69  1  6  0  0  0
 59 70  1  1  0  0  0
M  END
>  <Mol_ID> (1,998)
1998

>  <Formula> (1,998)
C44H70O23

>  <MolWeight> (1,998)
967.0128

>  <Item Name> (1,998)
Rebaudioside A

>  <Catalog Number> (1,998)
S3796

>  <Synonyms> (1,998)
Reb A, Glycoside A3, Stevioside A3

>  <Target> (1,998)
Others

>  <Form> (1,998)
free base

>  <URL> (1,998)
http://www.selleckchem.com/products/rebaudioside-a.html

>  <CAS Number> (1,998)
58543-16-1

$$$$
S3797 Helicide.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  6  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  1  0  0  0
  7 13  1  6  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  6  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,999)
1999

>  <Formula> (1,999)
C13H16O7

>  <MolWeight> (1,999)
284.26194

>  <Item Name> (1,999)
Helicide

>  <Catalog Number> (1,999)
S3797

>  <Synonyms> (1,999)
4-formylphenyl-O-¦Â-d-allopyranoside

>  <Target> (1,999)
Others

>  <Form> (1,999)
free base

>  <URL> (1,999)
http://www.selleckchem.com/products/helicide.html

>  <CAS Number> (1,999)
80154-34-3

$$$$
S3799 Gentisic acid.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,000)
2000

>  <Formula> (2,000)
C7H6O4

>  <MolWeight> (2,000)
154.12014

>  <Item Name> (2,000)
Gentisic acid

>  <Catalog Number> (2,000)
S3799

>  <Synonyms> (2,000)
 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (2,000)
Immunology & Inflammation related

>  <Form> (2,000)
free base

>  <URL> (2,000)
http://www.selleckchem.com/products/gentisic-acid.html

>  <CAS Number> (2,000)
490-79-9

$$$$
S3920 7¦Â-Hydroxylathyrol.cdx
csChFnd80/10101813032D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.5544    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5544    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2229    3.9326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2229    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0738    1.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4387    1.5386    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0461    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4387    4.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0738    4.3729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7903    5.2641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4080    0.7077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8348    1.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4080    4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2348    1.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5348    0.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4362    5.7252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  5  1  0  0  0  0
  7 15  1  6  0  0  0
  8 16  1  6  0  0  0
  2 17  1  6  0  0  0
 11 18  1  6  0  0  0
 12 18  1  6  0  0  0
  1 19  1  1  0  0  0
  6 20  1  1  0  0  0
  3 21  2  0  0  0  0
  4 22  1  0  0  0  0
  5 23  2  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
 14 26  1  6  0  0  0
M  END
>  <Mol_ID> (2,001)
2001

>  <Formula> (2,001)
C20H30O5

>  <MolWeight> (2,001)
350.4492

>  <Item Name> (2,001)
7¦Â-Hydroxylathyrol

>  <Catalog Number> (2,001)
S3920

>  <Synonyms> (2,001)
7beta-Hydroxylathyrol, 7-Hydroxylathyrol

>  <Target> (2,001)
Others

>  <Form> (2,001)
free base

>  <URL> (2,001)
http://www.selleckchem.com/products/7-beta-hydroxylathyrol.html

>  <CAS Number> (2,001)
34208-98-5

$$$$
S3921 Lathyrol.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.5667    2.1112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4445    2.1112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5667    3.5112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7333    2.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4445    3.5112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2223    1.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7890    1.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1889    1.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1778    4.7334    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1889    3.9112    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4446    5.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0000    4.7334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7890    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8778    5.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333    0.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1111    6.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0446    3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9779    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    5.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6890    5.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    3.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5889    4.7111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  7  1  1  0  0  0  0
  9  1  1  0  0  0  0
  1 17  1  6  0  0  0
  2  6  1  0  0  0  0
  2  4  1  6  0  0  0
  5  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  3  1  0  0  0  0
  3 25  1  1  0  0  0
 19  4  1  0  0  0  0
 20  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5 14  1  0  0  0  0
  6  8  2  0  0  0  0
  8  7  1  0  0  0  0
 15  7  2  0  0  0  0
 23  8  1  0  0  0  0
 13  9  1  0  0  0  0
 12 10  1  0  0  0  0
 10 21  1  1  0  0  0
 11 22  1  6  0  0  0
 11 13  1  0  0  0  0
 16 12  1  0  0  0  0
 18 12  2  0  0  0  0
 13 24  1  6  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,002)
2002

>  <Formula> (2,002)
C20H30O4

>  <MolWeight> (2,002)
334.4498

>  <Item Name> (2,002)
Lathyrol

>  <Catalog Number> (2,002)
S3921

>  <Synonyms> (2,002)
N/A

>  <Target> (2,002)
Others

>  <Form> (2,002)
free base

>  <URL> (2,002)
http://www.selleckchem.com/products/lathyrol.html

>  <CAS Number> (2,002)
34420-19-4

$$$$
S3931 Ginsenoside Rd.cdx
csChFnd80/10101813032D

 69 75  0  0  0  0  0  0  0  0999 V2000
   13.4161    8.4662    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,003)
2003

>  <Formula> (2,003)
C48H82O18

>  <MolWeight> (2,003)
947.15388

>  <Item Name> (2,003)
Ginsenoside Rd

>  <Catalog Number> (2,003)
S3931

>  <Synonyms> (2,003)
Panaxoside Rd, Sanchinoside Rd

>  <Target> (2,003)
Others

>  <Form> (2,003)
free base

>  <URL> (2,003)
http://www.selleckchem.com/products/ginsenoside-rd.html

>  <CAS Number> (2,003)
52705-93-8

$$$$
S3765 Picroside II.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,004)
2004

>  <Formula> (2,004)
C23H28O13

>  <MolWeight> (2,004)
512.46062

>  <Item Name> (2,004)
Picroside II

>  <Catalog Number> (2,004)
S3765

>  <Synonyms> (2,004)
6-Vanilloylcatalpol, Vanilloyl catalpol

>  <Target> (2,004)
Immunology & Inflammation related

>  <Form> (2,004)
free base

>  <URL> (2,004)
http://www.selleckchem.com/products/picroside-ii.html

>  <CAS Number> (2,004)
39012-20-9

$$$$
S4754 Betulin.cdx
csChFnd80/10101813032D

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  3  9  1  1  0  0  0
  4 10  1  0  0  0  0
  4 11  1  6  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  6  0  0  0
  6 15  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  1  0  0  0
 15 19  1  0  0  0  0
 19 22  1  0  0  0  0
 19 35  1  6  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  1  0  0  0
 23 24  1  0  0  0  0
 24 27  1  0  0  0  0
 24 36  1  6  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  6  0  0  0
 27 31  1  1  0  0  0
 28 29  1  0  0  0  0
 29 32  1  1  0  0  0
M  END
>  <Mol_ID> (2,005)
2005

>  <Formula> (2,005)
C30H50O2

>  <MolWeight> (2,005)
442.7168

>  <Item Name> (2,005)
Betulin

>  <Catalog Number> (2,005)
S4754

>  <Synonyms> (2,005)
betulinol, betuline, betulinic alcohol

>  <Target> (2,005)
Others

>  <Form> (2,005)
free base

>  <URL> (2,005)
http://www.selleckchem.com/products/betulin.html

>  <CAS Number> (2,005)
473-98-3

$$$$
S3925 (-)-Epicatechin gallate.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0625    2.8070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0625    4.1979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2716    2.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8558    2.1103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8558    4.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2716    4.8960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4928    2.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2716    0.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401    2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401    4.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2716    6.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7214    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4834    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792    6.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    6.9947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7214    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    2.8018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    2.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2096    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    6.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6916    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792    8.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9166    0.0053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9068    6.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6928    9.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9068    8.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1161    6.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6928   10.4896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1168    9.0936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 18  2  0  0  0  0
 14 20  2  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  2  0  0  0  0
 16 24  1  0  0  0  0
 18 25  1  0  0  0  0
 20 26  1  0  0  0  0
 20 21  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (2,006)
2006

>  <Formula> (2,006)
C22H18O10

>  <MolWeight> (2,006)
442.37232

>  <Item Name> (2,006)
(-)-Epicatechin gallate

>  <Catalog Number> (2,006)
S3925

>  <Synonyms> (2,006)
(-)-ECG, (-)-Epicatechin 3-gallate, (-)-Epicatechin-3-O-gallate

>  <Target> (2,006)
Others

>  <Form> (2,006)
free base

>  <URL> (2,006)
http://www.selleckchem.com/products/epicatechin-gallate.html

>  <CAS Number> (2,006)
1257-08-5

$$$$
S3926 Forsythin.cdx
csChFnd80/10101813032D

 40 44  0  0  0  0  0  0  0  0999 V2000
    8.2797    4.3286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3422    5.3682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5584    4.8989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5807    3.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    4.7978    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0413    6.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7713    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4109    6.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2111    3.4057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507    5.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9832    4.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389    4.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9853    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1962    4.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    7.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    5.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1971    2.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6357    8.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4101    2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    7.5942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8475    9.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6220    2.8036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6209    4.2036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8350    2.1046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8328    4.9046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0470    2.8055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8362    0.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0459    4.2055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8317    6.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2600    2.1065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2578    4.9065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0436    7.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2173    3.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4047    6.4080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9863    0.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7744    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 37  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 38  1  6  0  0  0
  3  7  1  6  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  1  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 25 22  1  6  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  1  0  0  0
 29 32  1  0  0  0  0
 29 33  1  6  0  0  0
 30 34  1  6  0  0  0
 30 32  1  0  0  0  0
 32 35  1  1  0  0  0
 33 36  1  0  0  0  0
 15 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (2,007)
2007

>  <Formula> (2,007)
C27H34O11

>  <MolWeight> (2,007)
534.55226

>  <Item Name> (2,007)
Forsythin

>  <Catalog Number> (2,007)
S3926

>  <Synonyms> (2,007)
Phillyrin

>  <Target> (2,007)
Others

>  <Form> (2,007)
free base

>  <URL> (2,007)
http://www.selleckchem.com/products/forsythin.html

>  <CAS Number> (2,007)
487-41-2

$$$$
S3927 Swertiamarin.cdx
csChFnd80/10101813032D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.4764    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4764    3.4981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6327    3.4981    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2656    4.2009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6327    2.0929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4219    1.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0546    3.4981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4219    4.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    4.2009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    2.0929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6873    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    3.4981    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0546    2.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    5.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8983    2.0929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6873    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6873    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    1.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4764    6.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8983    3.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4764    4.8981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  9  1  2  0  0  0  0
 12  1  1  0  0  0  0
  4  2  1  0  0  0  0
 18  2  1  0  0  0  0
  3 10  1  1  0  0  0
  5  3  1  0  0  0  0
  8  3  1  0  0  0  0
  4 15  1  6  0  0  0
  7  4  1  0  0  0  0
  6  5  1  0  0  0  0
  5 19  1  6  0  0  0
  6 20  1  1  0  0  0
 11  6  1  0  0  0  0
  7 14  1  0  0  0  0
  7 10  1  1  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  6  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 13 24  1  1  0  0  0
 21 15  2  0  0  0  0
 23 16  1  0  0  0  0
 23 18  1  0  0  0  0
 25 24  1  0  0  0  0
  2 26  1  1  0  0  0
M  END
>  <Mol_ID> (2,008)
2008

>  <Formula> (2,008)
C16H22O10

>  <MolWeight> (2,008)
374.33988

>  <Item Name> (2,008)
Swertiamarin

>  <Catalog Number> (2,008)
S3927

>  <Synonyms> (2,008)
Swertiamarin

>  <Target> (2,008)
Others

>  <Form> (2,008)
free base

>  <URL> (2,008)
http://www.selleckchem.com/products/swertiamarin.html

>  <CAS Number> (2,008)
17388-39-5

$$$$
S3928 Baccatin ¢ó.cdx
csChFnd80/10101813032D

 44 48  0  0  0  0  0  0  0  0999 V2000
    5.1610    6.1050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7007    6.2255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2418    5.2649    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1078    7.3949    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0303    7.6100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1437    6.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8608    4.9438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    5.1263    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8271    3.9797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8331    7.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2496    8.2415    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0315    9.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3070    8.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2441    4.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3696    3.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2121    3.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7321    7.2484    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7046    9.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2570    9.7767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2603    5.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5809    3.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280    6.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8094    2.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6015    4.9627    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7903    2.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0464    5.0268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8924    8.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8300    6.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9848    1.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2069    2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4487    9.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2286    7.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571    0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7848    1.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8614    9.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6406   10.7961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  5 41  1  6  0  0  0
  6 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  2  0  0  0  0
 11 21  1  1  0  0  0
 11 14  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  2  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  2  0  0  0  0
 19 29  1  1  0  0  0
 19 24  1  0  0  0  0
 24 30  2  0  0  0  0
 26 31  1  6  0  0  0
 26 30  1  0  0  0  0
 27 32  2  0  0  0  0
 27 33  1  0  0  0  0
 29 34  1  0  0  0  0
 30 35  1  0  0  0  0
 32 36  1  0  0  0  0
 33 37  2  0  0  0  0
 34 38  1  0  0  0  0
 34 39  2  0  0  0  0
 36 40  2  0  0  0  0
 37 40  1  0  0  0  0
  8 42  1  1  0  0  0
 16 43  1  0  0  0  0
  1 44  1  6  0  0  0
M  END
>  <Mol_ID> (2,009)
2009

>  <Formula> (2,009)
C31H38O11

>  <MolWeight> (2,009)
586.62682

>  <Item Name> (2,009)
Baccatin ¢ó

>  <Catalog Number> (2,009)
S3928

>  <Synonyms> (2,009)
N/A

>  <Target> (2,009)
Others

>  <Form> (2,009)
free base

>  <URL> (2,009)
http://www.selleckchem.com/products/Baccatin-iii.html

>  <CAS Number> (2,009)
27548-93-2

$$$$
S4797 Nicergoline.cdx
csChFnd80/10101813032D

 32 36  0  0  0  0  0  0  0  0999 V2000
    3.6388    5.1903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4277    4.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    4.4904    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6388    6.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3670    5.9204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277    3.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    5.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    3.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0663    5.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    7.2893    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6388    2.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    2.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0663    6.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    4.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    8.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    0.9857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    0.9857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9934    9.4982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2252    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9907   10.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3116   11.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445   11.7105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5644   12.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3694   10.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8832   13.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6901   10.9233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9509   12.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1441   14.5872    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.1150    3.7603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    7.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 31  1  1  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  1  0  0  0
 10 14  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 29  2  0  0  0  0
  5 32  1  0  0  0  0
M  END
>  <Mol_ID> (2,010)
2010

>  <Formula> (2,010)
C24H26BrN3O3

>  <MolWeight> (2,010)
484.38554

>  <Item Name> (2,010)
Nicergoline

>  <Catalog Number> (2,010)
S4797

>  <Synonyms> (2,010)
N/A

>  <Target> (2,010)
Androgen Receptor

>  <Form> (2,010)
free base

>  <URL> (2,010)
http://www.selleckchem.com/products/nicergoline.html

>  <CAS Number> (2,010)
27848-84-6

$$$$
S4802 6-Methylcoumarin.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.6381    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8476    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2029    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0734    0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2762    0.0098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,011)
2011

>  <Formula> (2,011)
C10H8O2

>  <MolWeight> (2,011)
160.16932

>  <Item Name> (2,011)
6-Methylcoumarin

>  <Catalog Number> (2,011)
S4802

>  <Synonyms> (2,011)
Toncarine

>  <Target> (2,011)
Others

>  <Form> (2,011)
free base

>  <URL> (2,011)
http://www.selleckchem.com/products/6-methylcoumarin.html

>  <CAS Number> (2,011)
92-48-8

$$$$
S4806 Potassium 1-Naphthaleneacetate.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    5.5248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7372    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0999    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0999    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0999    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0999    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    4.2000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1652    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,012)
2012

>  <Formula> (2,012)
C12H9KO2

>  <MolWeight> (2,012)
224.29696

>  <Item Name> (2,012)
Potassium 1-Naphthaleneacetate

>  <Catalog Number> (2,012)
S4806

>  <Synonyms> (2,012)
KANU, Potassium alpha-naphthylacetate, ¦Á-Naphthaleneacetic Acid Potassium Salt, 1-NAA Potassium Salt

>  <Target> (2,012)
Others

>  <Form> (2,012)
potassium salt

>  <URL> (2,012)
http://www.selleckchem.com/products/potassium-1-naphthaleneacetate.html

>  <CAS Number> (2,012)
15165-79-4

$$$$
S3982 Batyl alcohol.cdx
csChFnd80/10101813032D

 24 23  0  0  0  0  0  0  0  0999 V2000
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,013)
2013

>  <Formula> (2,013)
C21H44O3

>  <MolWeight> (2,013)
344.57226

>  <Item Name> (2,013)
Batyl alcohol

>  <Catalog Number> (2,013)
S3982

>  <Synonyms> (2,013)
Batilol, Stearyl monoglyceride, 1-O-Octadecylglycerol, Batilolum

>  <Target> (2,013)
Immunology & Inflammation related

>  <Form> (2,013)
free base

>  <URL> (2,013)
http://www.selleckchem.com/products/batyl-alcohol.html

>  <CAS Number> (2,013)
544-62-7

$$$$
S3872 Guaiacol.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4266    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520    2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,014)
2014

>  <Formula> (2,014)
C7H8O2

>  <MolWeight> (2,014)
124.13722

>  <Item Name> (2,014)
Guaiacol

>  <Catalog Number> (2,014)
S3872

>  <Synonyms> (2,014)
o-methoxyphenol, 2-hydroxyanisole, O-methylcatechol

>  <Target> (2,014)
Others

>  <Form> (2,014)
free base

>  <URL> (2,014)
http://www.selleckchem.com/products/guaiacol.html

>  <CAS Number> (2,014)
90-05-1

$$$$
S3906 2,3,5,4-tetrahydroxyl diphenylethylene-2-o-glucoside.cdx
csChFnd80/10101813032D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  7  8  1  0  0  0  0
  5  9  1  1  0  0  0
  4 10  1  6  0  0  0
  3 11  1  1  0  0  0
  2 12  1  6  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,015)
2015

>  <Formula> (2,015)
C20H22O9

>  <MolWeight> (2,015)
406.38328

>  <Item Name> (2,015)
Astragalus polyphenols

>  <Catalog Number> (2,015)
S3906

>  <Synonyms> (2,015)
N/A

>  <Target> (2,015)
Immunology & Inflammation related

>  <Form> (2,015)
free base

>  <URL> (2,015)
http://www.selleckchem.com/products/astragalus-polyphenols.html

>  <CAS Number> (2,015)
82373-94-2

$$$$
S3907 Bulleyaconi cine A.cdx
csChFnd80/10101813032D

 49 55  0  0  0  0  0  0  0  0999 V2000
    3.8321    5.2897    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5325    3.9457    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0774    6.4974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0808    5.8891    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8241    6.2113    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2385    3.5506    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4044    2.8878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7620    2.8878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9388    5.1035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3023    5.2761    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3034    7.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5348    5.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240    7.6144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    2.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2215    4.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8050    1.5801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6156    3.9594    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8807    6.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2830    6.2660    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6337    7.4646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4996    8.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3713    1.1852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450    0.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1411    4.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7688    2.8740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1670    7.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0085    6.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1411    6.7472    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6337    8.8405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7188    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5261    5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8393    7.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1446    7.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5112    0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9267    0.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8972    4.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6543    3.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6314    8.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4421    3.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2174    2.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6021    2.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1470    1.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3024    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    2.5336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3726    7.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021    1.5256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4057    4.9082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 46  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 47  1  1  0  0  0
  5 12  1  0  0  0  0
  5 13  1  6  0  0  0
  6 14  1  6  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  6  0  0  0
  7  8  1  0  0  0  0
  8 18  1  0  0  0  0
  8 48  1  1  0  0  0
  9 19  1  0  0  0  0
  9 14  1  0  0  0  0
 10 20  1  0  0  0  0
 10 18  1  0  0  0  0
 10 49  1  1  0  0  0
 11 21  1  0  0  0  0
 12 15  1  0  0  0  0
 13 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  1  0  0  0
 19 27  1  0  0  0  0
 20 28  1  6  0  0  0
 20 21  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  1  0  0  0
 23 31  1  0  0  0  0
 25 29  1  0  0  0  0
 26 32  1  0  0  0  0
 28 33  1  0  0  0  0
 28 34  2  0  0  0  0
 29 35  1  1  0  0  0
 32 36  1  0  0  0  0
 32 37  2  0  0  0  0
 33 38  2  0  0  0  0
 33 39  1  0  0  0  0
 35 40  1  0  0  0  0
 38 41  1  0  0  0  0
 39 42  2  0  0  0  0
 41 43  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
>  <Mol_ID> (2,016)
2016

>  <Formula> (2,016)
C35H49NO9

>  <MolWeight> (2,016)
627.76486

>  <Item Name> (2,016)
Bulleyaconi cine A

>  <Catalog Number> (2,016)
S3907

>  <Synonyms> (2,016)
Bulleyaconitine A, Bulleyaconi cine A

>  <Target> (2,016)
Sodium channel

>  <Form> (2,016)
free base

>  <URL> (2,016)
http://www.selleckchem.com/products/bulleyaconi-cine-a.html

>  <CAS Number> (2,016)
107668-79-1

$$$$
S3908 4'-Demethylpodophyllotoxin.cdx
csChFnd80/10101813032D

 31 35  0  0  0  0  0  0  0  0999 V2000
    5.8013    5.6099    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5874    6.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0338    6.3236    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7754    4.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5874    7.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3519    5.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0338    7.7066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3627    5.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5622    3.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9973    3.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8013    8.4107    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3519    8.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362    6.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3627    8.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1453    7.0224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8139    4.5920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5622    2.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9973    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8013    9.8085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362    7.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7876    5.8904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7470    1.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3209    1.4085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1736    1.3919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7876    8.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7470    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414    2.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4165    2.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1923    4.9348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1788    9.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 30  1  1  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 11  1  0  0  0  0
  7 31  1  6  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  6  0  0  0
 12 20  2  0  0  0  0
 13 21  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 22  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,017)
2017

>  <Formula> (2,017)
C21H20O8

>  <MolWeight> (2,017)
400.3787

>  <Item Name> (2,017)
4'-Demethylpodophyllotoxin

>  <Catalog Number> (2,017)
S3908

>  <Synonyms> (2,017)
N/A

>  <Target> (2,017)
Others

>  <Form> (2,017)
free base

>  <URL> (2,017)
http://www.selleckchem.com/products/4-demethylpodophyllotoxin.html

>  <CAS Number> (2,017)
40505-27-9

$$$$
S3909 Catalpol.cdx
csChFnd80/10101813032D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.7355    5.3729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7898    4.4419    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3288    6.7111    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2655    6.4392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4036    5.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    5.1155    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8065    3.0364    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6696    6.4892    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6621    6.1469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1986    4.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5273    2.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9846    2.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5949    7.5107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1989    3.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1494    2.3776    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6369    3.6710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2982    1.2677    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2495    3.8667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9165    1.4965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8615    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3874    2.7926    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6931    5.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.3723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
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  3  8  1  0  0  0  0
  3  4  1  0  0  0  0
  5  9  1  0  0  0  0
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  6  8  1  0  0  0  0
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 21 24  1  6  0  0  0
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M  END
>  <Mol_ID> (2,018)
2018

>  <Formula> (2,018)
C15H22O10

>  <MolWeight> (2,018)
362.32918

>  <Item Name> (2,018)
Catalpol

>  <Catalog Number> (2,018)
S3909

>  <Synonyms> (2,018)
Catalpol, catalpinoside, Digitalis purpurea L

>  <Target> (2,018)
Others

>  <Form> (2,018)
free base

>  <URL> (2,018)
http://www.selleckchem.com/products/catalpol.html

>  <CAS Number> (2,018)
2415-24-9

$$$$
S3910 4',7-Dimethoxyisoflavone.cdx
csChFnd80/10101813032D

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  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  8  2  0  0  0  0
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  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,019)
2019

>  <Formula> (2,019)
C17H14O4

>  <MolWeight> (2,019)
282.29066

>  <Item Name> (2,019)
4',7-Dimethoxyisoflavone

>  <Catalog Number> (2,019)
S3910

>  <Synonyms> (2,019)
N/A

>  <Target> (2,019)
Others

>  <Form> (2,019)
free base

>  <URL> (2,019)
http://www.selleckchem.com/products/4-7-dimethoxyisoflavone.html

>  <CAS Number> (2,019)
1157-39-7

$$$$
S3922 (-)-epigallocatechin.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,020)
2020

>  <Formula> (2,020)
C15H14O7

>  <MolWeight> (2,020)
306.26746

>  <Item Name> (2,020)
(-)-epigallocatechin

>  <Catalog Number> (2,020)
S3922

>  <Synonyms> (2,020)
N/A

>  <Target> (2,020)
Others

>  <Form> (2,020)
free base

>  <URL> (2,020)
http://www.selleckchem.com/products/neg-rotation-epigallocatechin.html

>  <CAS Number> (2,020)
970-74-1

$$$$
S3923 Ginsenoside Rg1.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,021)
2021

>  <Formula> (2,021)
C42H72O14

>  <MolWeight> (2,021)
801.01268

>  <Item Name> (2,021)
Ginsenoside Rg1

>  <Catalog Number> (2,021)
S3923

>  <Synonyms> (2,021)
Ginsenoside A2, Panaxoside A, Panaxoside Rg1, Sanchinoside C1, Sanchinoside Rg1

>  <Target> (2,021)
Others

>  <Form> (2,021)
free base

>  <URL> (2,021)
http://www.selleckchem.com/products/ginsenoside-rg1.html

>  <CAS Number> (2,021)
22427-39-0

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,022)
2022

>  <Formula> (2,022)
C54H92O23

>  <MolWeight> (2,022)
1109.29448

>  <Item Name> (2,022)
Ginsenoside Rb1

>  <Catalog Number> (2,022)
S3924

>  <Synonyms> (2,022)
Gypenoside ¢ó

>  <Target> (2,022)
Others

>  <Form> (2,022)
free base

>  <URL> (2,022)
http://www.selleckchem.com/products/ginsenoside-rb1.html

>  <CAS Number> (2,022)
41753-43-9

$$$$
4'-Demethylepipodophyllotoxin.cdx
csChFnd80/10101813032D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,023)
2023

>  <Formula> (2,023)
C21H20O8

>  <MolWeight> (2,023)
400.3787

>  <Item Name> (2,023)
4'-Demethylepipodophyllotoxin

>  <Catalog Number> (2,023)
S2254

>  <Synonyms> (2,023)
DMEP

>  <Target> (2,023)
Microtubule Associated

>  <Form> (2,023)
free base

>  <URL> (2,023)
http://www.selleckchem.com/products/4-Demethylepipodophyllotoxin.html

>  <CAS Number> (2,023)
6559-91-7

$$$$
S3862 Gallic acid trimethyl ether.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
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  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,024)
2024

>  <Formula> (2,024)
C10H12O5

>  <MolWeight> (2,024)
212.19928

>  <Item Name> (2,024)
Gallic acid trimethyl ether

>  <Catalog Number> (2,024)
S3862

>  <Synonyms> (2,024)
Eudesmic acid; Tri-O-methylgallic acid; Benzoic acid; 3,4,5-Trimethoxybenzoic acid

>  <Target> (2,024)
Others

>  <Form> (2,024)
free base

>  <URL> (2,024)
http://www.selleckchem.com/products/gallic-acid-trimethyl-ether.html

>  <CAS Number> (2,024)
118-41-2

$$$$
S3863 Methyl EudesMate.cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.2254    2.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4449    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    2.0912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4449    0.7021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0577    4.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    6.3189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    4.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,025)
2025

>  <Formula> (2,025)
C11H14O5

>  <MolWeight> (2,025)
226.22586

>  <Item Name> (2,025)
Methyl EudesMate

>  <Catalog Number> (2,025)
S3863

>  <Synonyms> (2,025)
3,4,5-Trimethoxybenzoic acid methyl ester; Trimethylgallic acid methyl ester

>  <Target> (2,025)
Others

>  <Form> (2,025)
free base

>  <URL> (2,025)
http://www.selleckchem.com/products/methyl-eudesMate.html

>  <CAS Number> (2,025)
1916-07-0

$$$$
S3864 Dulcitol.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,026)
2026

>  <Formula> (2,026)
C6H14O6

>  <MolWeight> (2,026)
182.17176

>  <Item Name> (2,026)
Dulcitol

>  <Catalog Number> (2,026)
S3864

>  <Synonyms> (2,026)
Galactitol, D-Galactitol, Dulcose

>  <Target> (2,026)
Others

>  <Form> (2,026)
free base

>  <URL> (2,026)
http://www.selleckchem.com/products/dulcitol.html

>  <CAS Number> (2,026)
608-66-2

$$$$
S3865 Taurochenodeoxycholic acid.cdx
csChFnd80/10101813032D

 39 42  0  0  0  0  0  0  0  0999 V2000
    7.0113    3.5343    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7919    2.8366    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0113    4.9188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4707    3.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5829    3.5343    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7919    1.4261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2358    5.5853    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7919    5.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9389    6.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4707    4.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3429    2.8366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5829    4.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5829    0.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2358    6.8098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3429    1.4261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1080    3.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635    4.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4482    7.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0234    7.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1080    0.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    2.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6607    6.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    1.4261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8731    7.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0855    6.8098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8731    8.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2980    7.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5104    6.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7228    7.5098    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.4228    6.2974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9353    8.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0228    8.7223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0784    2.2166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7970    4.2575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5776    2.1080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3429    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5928    5.9489    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0096    0.7255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 34  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 35  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 36  1  6  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  1  0  0  0
 13 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  6  0  0  0
 15 20  1  0  0  0  0
 15 37  1  1  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  6  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  2  0  0  0  0
  7 38  1  6  0  0  0
  6 39  1  6  0  0  0
M  END
>  <Mol_ID> (2,027)
2027

>  <Formula> (2,027)
C26H45NO6S

>  <MolWeight> (2,027)
499.7036

>  <Item Name> (2,027)
Taurochenodeoxycholic acid

>  <Catalog Number> (2,027)
S3865

>  <Synonyms> (2,027)
Taurochenodeoxycholate, TCDCA, 12-Deoxycholyltaurine, Chenodeoxycholyltaurine, Chenyltaurine

>  <Target> (2,027)
Others

>  <Form> (2,027)
free base

>  <URL> (2,027)
http://www.selleckchem.com/products/taurochenodeoxycholic-acid.html

>  <CAS Number> (2,027)
516-35-8

$$$$
S3866 Galanthamine.cdx
csChFnd80/10101813032D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.9209    2.7509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6020    2.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8272    1.3780    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1920    1.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3779    3.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0925    0.6475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891    1.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7594    3.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6392    1.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7380    3.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0228    5.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3545    2.0604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7722    5.7820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4295    2.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3429    0.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6598    7.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6984    0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6017    5.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1961    3.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5583    4.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  5  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  6  0  0  0
  4  9  2  0  0  0  0
  4  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 12  1  0  0  0  0
 21  8  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 12 19  1  1  0  0  0
 13 16  1  0  0  0  0
 13 20  1  0  0  0  0
 15 17  1  0  0  0  0
 21  1  1  0  0  0  0
  1 22  1  6  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,028)
2028

>  <Formula> (2,028)
C17H21NO3

>  <MolWeight> (2,028)
287.35354

>  <Item Name> (2,028)
Galanthamine

>  <Catalog Number> (2,028)
S3866

>  <Synonyms> (2,028)
Nivalin, Razadyne, Razadyne ER, Reminyl, Lycoremine

>  <Target> (2,028)
acetylcholinesterase

>  <Form> (2,028)
free base

>  <URL> (2,028)
http://www.selleckchem.com/products/galanthamine.html

>  <CAS Number> (2,028)
357-70-0

$$$$
S3868 Harmine.cdx
csChFnd80/10101813032D

 16 18  0  0  0  0  0  0  0  0999 V2000
    6.3186    2.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9463    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0313    1.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0112    3.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8022    0.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8238    2.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0983    0.1451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4312    1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4198    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5527    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5494    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1355    2.4085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4087    0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1357    0.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,029)
2029

>  <Formula> (2,029)
C13H12N2O

>  <MolWeight> (2,029)
212.24718

>  <Item Name> (2,029)
Harmine

>  <Catalog Number> (2,029)
S3868

>  <Synonyms> (2,029)
telepathine

>  <Target> (2,029)
PPAR¦Ã,MAO-A

>  <Form> (2,029)
free base

>  <URL> (2,029)
http://www.selleckchem.com/products/harmine.html

>  <CAS Number> (2,029)
442-51-3

$$$$
S3869 Methyl protocatechuate.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6226    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    2.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    2.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0450    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0203    2.7972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2636    2.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,030)
2030

>  <Formula> (2,030)
C8H8O4

>  <MolWeight> (2,030)
168.14672

>  <Item Name> (2,030)
Methyl protocatechuate

>  <Catalog Number> (2,030)
S3869

>  <Synonyms> (2,030)
Methyl 3,4-dihydroxybenzoate; 3,4-Dihydroxybenzoic acid methyl ester

>  <Target> (2,030)
Others

>  <Form> (2,030)
free base

>  <URL> (2,030)
http://www.selleckchem.com/products/methyl-protocatechuate.html

>  <CAS Number> (2,030)
2150-43-8

$$$$
S3870 D-Pinitol.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4229    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.7977    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6390    2.8002    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4229    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    4.1982    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    2.0977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    4.1974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8514    2.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0019    4.8982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    4.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    6.2988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  1  0  0  0
  7 12  1  6  0  0  0
  7 10  1  0  0  0  0
 10 13  1  1  0  0  0
M  END
>  <Mol_ID> (2,031)
2031

>  <Formula> (2,031)
C7H14O6

>  <MolWeight> (2,031)
194.18246

>  <Item Name> (2,031)
D-Pinitol

>  <Catalog Number> (2,031)
S3870

>  <Synonyms> (2,031)
Methylinositol, Pinitol, 3-O-Methyl-D-chiro-inositol, D-(+)-Pinitol, Inzitol

>  <Target> (2,031)
Others

>  <Form> (2,031)
free base

>  <URL> (2,031)
http://www.selleckchem.com/products/d-pinitol.html

>  <CAS Number> (2,031)
10284-63-6

$$$$
S3849 D-Galactose.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.1000    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  6  0  0  0
M  END
>  <Mol_ID> (2,032)
2032

>  <Formula> (2,032)
C6H12O6

>  <MolWeight> (2,032)
180.15588

>  <Item Name> (2,032)
D-Galactose

>  <Catalog Number> (2,032)
S3849

>  <Synonyms> (2,032)
D-Galactopyranose, D-(+)-Galactose

>  <Target> (2,032)
Others

>  <Form> (2,032)
free base

>  <URL> (2,032)
http://www.selleckchem.com/products/d-galactose.html

>  <CAS Number> (2,032)
59-23-4

$$$$
S3850 Glucosamine sulfate.cdx
csChFnd80/10101813032D

 17 15  0  0  0  0  0  0  0  0999 V2000
    3.9139    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3139    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5139    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.1413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.1413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    8.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.7413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  6  0  0  0
  7 10  1  0  0  0  0
  7 11  1  6  0  0  0
  8 12  1  0  0  0  0
  8 13  1  6  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,033)
2033

>  <Formula> (2,033)
C6H15NO9S

>  <MolWeight> (2,033)
277.2496

>  <Item Name> (2,033)
Glucosamine sulfate

>  <Catalog Number> (2,033)
S3850

>  <Synonyms> (2,033)
D-Glucosaminesulfate, D-Glucosamine sulphate

>  <Target> (2,033)
Others

>  <Form> (2,033)
sulfate

>  <URL> (2,033)
http://www.selleckchem.com/products/glucosamine-sulfate.html

>  <CAS Number> (2,033)
29031-19-4

$$$$
S3851 Camphor.cdx
csChFnd80/10101813032D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520    1.6529    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7041    1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    2.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020    2.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    2.8641    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3545    4.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421    4.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7168    5.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    0.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2364    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,034)
2034

>  <Formula> (2,034)
C10H16O

>  <MolWeight> (2,034)
152.23344

>  <Item Name> (2,034)
Camphor

>  <Catalog Number> (2,034)
S3851

>  <Synonyms> (2,034)
2-Bornanone, Bornan-2-one, 2-Camphanone, Formosa

>  <Target> (2,034)
Others

>  <Form> (2,034)
free base

>  <URL> (2,034)
http://www.selleckchem.com/products/camphor.html

>  <CAS Number> (2,034)
76-22-2

$$$$
S3854 Tetrahydropalmatine hydrochloride.cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.3062    4.2163    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5187    4.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3062    2.8314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0873    4.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7374    4.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5187    6.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0873    2.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5187    2.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8688    4.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9561    4.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7374    2.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7374    6.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8688    2.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    4.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9561    6.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7374    8.3711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6746    2.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    4.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1750    6.9863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9315    9.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    2.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6929    0.7325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3876    6.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    2.1604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4455    0.5972    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,035)
2035

>  <Formula> (2,035)
C21H26ClNO4

>  <MolWeight> (2,035)
391.88844

>  <Item Name> (2,035)
Tetrahydropalmatine hydrochloride

>  <Catalog Number> (2,035)
S3854

>  <Synonyms> (2,035)
Gindarine hydrochloride, 1-Tetrahydropalmitine HCl

>  <Target> (2,035)
Others

>  <Form> (2,035)
hydrochloride

>  <URL> (2,035)
http://www.selleckchem.com/products/tetrahydropalmatine-hydrochloride.html

>  <CAS Number> (2,035)
6024-85-7

$$$$
S3855 Ethyl ferulate.cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.6314    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438    4.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    4.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548    4.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    0.7008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2498    4.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4348    4.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2498    6.3281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792    4.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8571    4.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,036)
2036

>  <Formula> (2,036)
C12H14O4

>  <MolWeight> (2,036)
222.23716

>  <Item Name> (2,036)
Ethyl ferulate

>  <Catalog Number> (2,036)
S3855

>  <Synonyms> (2,036)
Ferulic acid ethyl ester, Ethyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (2,036)
Others

>  <Form> (2,036)
free base

>  <URL> (2,036)
http://www.selleckchem.com/products/ethyl-ferulate.html

>  <CAS Number> (2,036)
4046-02-0

$$$$
S3856 Allantoin.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6434    0.7015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9245    0.1443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7899    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.0015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8573    1.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1597    2.3948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7468    3.0275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2505    1.0592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    2.0975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,037)
2037

>  <Formula> (2,037)
C4H6N4O3

>  <MolWeight> (2,037)
158.11544

>  <Item Name> (2,037)
Allantoin

>  <Catalog Number> (2,037)
S3856

>  <Synonyms> (2,037)
Glyoxyldiureide, 5-Ureidohydantoin

>  <Target> (2,037)
Others

>  <Form> (2,037)
free base

>  <URL> (2,037)
http://www.selleckchem.com/products/allantoin.html

>  <CAS Number> (2,037)
97-59-6

$$$$
S3857 4-Hydroxybenzyl alcohol.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2185    4.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098    3.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    5.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4171    2.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0088    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4660    6.2276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1981    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1981    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,038)
2038

>  <Formula> (2,038)
C7H8O2

>  <MolWeight> (2,038)
124.13722

>  <Item Name> (2,038)
4-Hydroxybenzyl alcohol

>  <Catalog Number> (2,038)
S3857

>  <Synonyms> (2,038)
P-Methylolphenol, 4-Methylolphenol

>  <Target> (2,038)
Others

>  <Form> (2,038)
free base

>  <URL> (2,038)
http://www.selleckchem.com/products/4-hydroxybenzyl-alcohol.html

>  <CAS Number> (2,038)
623-05-2

$$$$
S3858 Lawsone.cdx
csChFnd80/10101813032D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    4.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    1.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6351    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6409    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0014    2.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    4.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,039)
2039

>  <Formula> (2,039)
C10H6O3

>  <MolWeight> (2,039)
174.15284

>  <Item Name> (2,039)
Lawsone

>  <Catalog Number> (2,039)
S3858

>  <Synonyms> (2,039)
Hennotannic acid; 2-hydroxy-1,4-naphthoquinone

>  <Target> (2,039)
Others

>  <Form> (2,039)
free base

>  <URL> (2,039)
http://www.selleckchem.com/products/lawsone.html

>  <CAS Number> (2,039)
83-72-7

$$$$
S3859 Vanillyl Alcohol.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8493    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  8  9  1  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,040)
2040

>  <Formula> (2,040)
C8H10O3

>  <MolWeight> (2,040)
154.1632

>  <Item Name> (2,040)
Vanillyl Alcohol

>  <Catalog Number> (2,040)
S3859

>  <Synonyms> (2,040)
4-Hydroxy-3-methoxybenzyl alcohol, Vanillin alcohol, Vanillic alcohol

>  <Target> (2,040)
Others

>  <Form> (2,040)
free base

>  <URL> (2,040)
http://www.selleckchem.com/products/vanillyl-alcohol.html

>  <CAS Number> (2,040)
498-00-0

$$$$
S3894 Cycloastragenol.cdx
csChFnd80/10101813032D

 38 43  0  0  0  0  0  0  0  0999 V2000
    1.2084    3.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    2.0995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4209    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    2.0995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6332    3.4995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4209    4.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    1.3995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0582    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0582    3.4995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8457    4.1995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2707    4.1995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2707    5.5995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0582    6.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    5.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6021    3.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4250    4.8995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6021    6.0320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2357    6.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8805    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3406    2.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8202    4.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0226    0.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8548    0.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5813    4.8006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2761    7.9910    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5453    7.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4998    8.4238    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8207    9.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4466    9.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8894    8.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0597    9.6431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7192    6.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2790    8.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    0.6995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0582    4.8995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9544    6.3944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9120    8.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 12 18  1  1  0  0  0
  2 19  1  1  0  0  0
  7 20  1  6  0  0  0
 11 21  1  6  0  0  0
 16 22  1  1  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
 10 25  1  1  0  0  0
  5 25  1  1  0  0  0
 17 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
 28 31  1  6  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
  4 35  1  6  0  0  0
  9 36  1  1  0  0  0
 17 37  1  6  0  0  0
 26 38  1  1  0  0  0
M  END
>  <Mol_ID> (2,041)
2041

>  <Formula> (2,041)
C30H50O5

>  <MolWeight> (2,041)
490.715

>  <Item Name> (2,041)
Cycloastragenol

>  <Catalog Number> (2,041)
S3894

>  <Synonyms> (2,041)
Cyclogalegigenin, Astramembrangenin

>  <Target> (2,041)
telomerase

>  <Form> (2,041)
free base

>  <URL> (2,041)
http://www.selleckchem.com/products/cycloastragenol.html

>  <CAS Number> (2,041)
84605-18-5

$$$$
S3895 Sophoridine.cdx
csChFnd80/10101813032D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.4421    2.1222    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6631    2.8239    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2211    2.8239    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4421    0.6812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6631    4.2239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8842    2.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    4.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6631    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    4.9256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    4.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    0.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    6.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    6.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6631    7.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    7.0066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    3.3227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    1.6030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    1.5616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    5.4863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  1  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  1  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,042)
2042

>  <Formula> (2,042)
C15H24N2O

>  <MolWeight> (2,042)
248.36386

>  <Item Name> (2,042)
Sophoridine

>  <Catalog Number> (2,042)
S3895

>  <Synonyms> (2,042)
5-Epidihydrosophocarpine, Dihydro-5-episophocarpine

>  <Target> (2,042)
Others

>  <Form> (2,042)
free base

>  <URL> (2,042)
http://www.selleckchem.com/products/sophoridine.html

>  <CAS Number> (2,042)
6882-68-4

$$$$
S3896 DACH-BOC.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  3  2  1  6  0  0  0
  7  3  1  0  0  0  0
  9  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  8  1  1  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,043)
2043

>  <Formula> (2,043)
C11H22N2O2

>  <MolWeight> (2,043)
214.30458

>  <Item Name> (2,043)
(1R,2R)-trans-N-Boc-1,2-cyclohexanediamine

>  <Catalog Number> (2,043)
S3896

>  <Synonyms> (2,043)
N/A

>  <Target> (2,043)
Others

>  <Form> (2,043)
free base

>  <URL> (2,043)
http://www.selleckchem.com/products/1r-2r-trans-n-boc-1-2-cyclohexanediamine.html

>  <CAS Number> (2,043)
146504-07-6

$$$$
S3897 (-)-Arctigenin.cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.3586    2.1648    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9538    2.1536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1716    3.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8030    0.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1222    3.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320    0.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5637    3.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6741    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1366    0.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7325    3.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3785    4.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500    1.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1730    1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9011    4.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7736    4.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5453    1.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7801    1.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5073    4.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3645    2.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5817    5.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7570    2.7657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 19  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,044)
2044

>  <Formula> (2,044)
C21H24O6

>  <MolWeight> (2,044)
372.41166

>  <Item Name> (2,044)
(-)-Arctigenin

>  <Catalog Number> (2,044)
S3897

>  <Synonyms> (2,044)
N/A

>  <Target> (2,044)
Others

>  <Form> (2,044)
free base

>  <URL> (2,044)
http://www.selleckchem.com/products/neg-rotation-arctigenin.html

>  <CAS Number> (2,044)
7770-78-7

$$$$
S3898 Hydroxy Camptothecine.cdx
csChFnd80/10101813032D

 27 31  0  0  0  0  0  0  0  0999 V2000
    9.4336    2.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2459    4.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0378    1.7141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0787    3.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6272    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4145    1.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6854    1.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1416    0.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    4.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4702    6.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
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 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (2,045)
2045

>  <Formula> (2,045)
C20H16N2O5

>  <MolWeight> (2,045)
364.35144

>  <Item Name> (2,045)
Hydroxy Camptothecine

>  <Catalog Number> (2,045)
S3898

>  <Synonyms> (2,045)
10-Hydroxycamptothecin, Hydroxycamptothecine

>  <Target> (2,045)
DNA topoisomerase I

>  <Form> (2,045)
free base

>  <URL> (2,045)
http://www.selleckchem.com/products/hydroxy-camptothecine.html

>  <CAS Number> (2,045)
64439-81-2

$$$$
S3899 Hederagenin.cdx
csChFnd80/10101813032D

 37 41  0  0  0  0  0  0  0  0999 V2000
    7.2610    5.0654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2610    6.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0731    4.3763    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4851    4.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2765    3.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0731    7.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8698    5.0654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0731    2.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,046)
2046

>  <Formula> (2,046)
C30H48O4

>  <MolWeight> (2,046)
472.69972

>  <Item Name> (2,046)
Hederagenin

>  <Catalog Number> (2,046)
S3899

>  <Synonyms> (2,046)
Caulosapogenin, Hederagenol, Hederagenic acid, Astrantiagenin E

>  <Target> (2,046)
Others

>  <Form> (2,046)
free base

>  <URL> (2,046)
http://www.selleckchem.com/products/hederagenin.html

>  <CAS Number> (2,046)
465-99-6

$$$$
S3900 Betulonic acid.cdx
csChFnd80/10101813032D

 37 41  0  0  0  0  0  0  0  0999 V2000
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    9.7153    5.5362    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5010    6.2327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2865    5.5541    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8576    4.1254    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6433    2.0180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4288    1.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8045    7.6079    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1261    5.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0721    2.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,047)
2047

>  <Formula> (2,047)
C30H46O3

>  <MolWeight> (2,047)
454.68444

>  <Item Name> (2,047)
Betulonic acid

>  <Catalog Number> (2,047)
S3900

>  <Synonyms> (2,047)
Liquidambaric acid

>  <Target> (2,047)
Others

>  <Form> (2,047)
free base

>  <URL> (2,047)
http://www.selleckchem.com/products/betulonic-acid.html

>  <CAS Number> (2,047)
4481-62-3

$$$$
S3902 Ursonic acid.cdx
csChFnd80/10101813032D

 36 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,048)
2048

>  <Formula> (2,048)
C30H46O3

>  <MolWeight> (2,048)
454.68444

>  <Item Name> (2,048)
Ursonic acid

>  <Catalog Number> (2,048)
S3902

>  <Synonyms> (2,048)
Prunol, Malol, beta-Ursolic acid, NSC4060, CCRIS 7123, TOS-BB-0966

>  <Target> (2,048)
Others

>  <Form> (2,048)
free base

>  <URL> (2,048)
http://www.selleckchem.com/products/ursonic-acid.html

>  <CAS Number> (2,048)
6246-46-4

$$$$
S3903 Lycorine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,049)
2049

>  <Formula> (2,049)
C16H17NO4

>  <MolWeight> (2,049)
287.31048

>  <Item Name> (2,049)
Lycorine

>  <Catalog Number> (2,049)
S3903

>  <Synonyms> (2,049)
Galanthidine, Amarylline, Narcissine, Licorine, Belamarine

>  <Target> (2,049)
acetylcholinesterase 

>  <Form> (2,049)
free base

>  <URL> (2,049)
http://www.selleckchem.com/products/lycorine.html

>  <CAS Number> (2,049)
476-28-8

$$$$
S3904 Isoimperatorin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,050)
2050

>  <Formula> (2,050)
C16H14O4

>  <MolWeight> (2,050)
270.27996

>  <Item Name> (2,050)
Isoimperatorin

>  <Catalog Number> (2,050)
S3904

>  <Synonyms> (2,050)
N/A

>  <Target> (2,050)
Others

>  <Form> (2,050)
free base

>  <URL> (2,050)
http://www.selleckchem.com/products/isoimperatorin.html

>  <CAS Number> (2,050)
482-45-1

$$$$
S3905 Iso-Steviol.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,051)
2051

>  <Formula> (2,051)
C20H30O3

>  <MolWeight> (2,051)
318.4504

>  <Item Name> (2,051)
Iso-Steviol

>  <Catalog Number> (2,051)
S3905

>  <Synonyms> (2,051)
N/A

>  <Target> (2,051)
Others

>  <Form> (2,051)
free base

>  <URL> (2,051)
http://www.selleckchem.com/products/iso-steviol.html

>  <CAS Number> (2,051)
27975-19-5

$$$$
S3876 Indigo.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,052)
2052

>  <Formula> (2,052)
C16H10N2O2

>  <MolWeight> (2,052)
262.2628

>  <Item Name> (2,052)
Indigo

>  <Catalog Number> (2,052)
S3876

>  <Synonyms> (2,052)
Indigotin

>  <Target> (2,052)
Others

>  <Form> (2,052)
free base

>  <URL> (2,052)
http://www.selleckchem.com/products/indigo.html

>  <CAS Number> (2,052)
482-89-3

$$$$
S4761 Thymoquinone.cdx
csChFnd80/10101813032D

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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 10  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,053)
2053

>  <Formula> (2,053)
C10H12O2

>  <MolWeight> (2,053)
164.20108

>  <Item Name> (2,053)
Thymoquinone

>  <Catalog Number> (2,053)
S4761

>  <Synonyms> (2,053)
N/A

>  <Target> (2,053)
Others

>  <Form> (2,053)
free base

>  <URL> (2,053)
http://www.selleckchem.com/products/thymoquinone.html

>  <CAS Number> (2,053)
490-91-5

$$$$
S3816 Dehydroevodiamine.cdx
csChFnd80/10101813032D

 23 27  0  0  0  0  0  0  0  0999 V2000
    8.8273    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1273    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0273    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    1.3845    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.4116    1.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    3.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1463    3.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6273    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2273    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
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 13 14  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,054)
2054

>  <Formula> (2,054)
C19H15N3O

>  <MolWeight> (2,054)
301.3419

>  <Item Name> (2,054)
Dehydroevodiamine

>  <Catalog Number> (2,054)
S3816

>  <Synonyms> (2,054)
DHED

>  <Target> (2,054)
Others

>  <Form> (2,054)
inner salt

>  <URL> (2,054)
http://www.selleckchem.com/products/dehydroevodiamine.html

>  <CAS Number> (2,054)
67909-49-3

$$$$
S3818 Tectoridin.cdx
csChFnd80/10101813032D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.4232    2.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4232    3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2063    1.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    1.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    4.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2063    4.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9894    2.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8441    2.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8441    3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    5.5711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9894    3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2063    5.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0610    4.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4021    4.1641    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1853    2.0978    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3261    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4947    5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1853    3.4732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4338    5.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6928    6.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0127    4.2464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2486    6.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 16 13  1  1  0  0  0
 14 17  2  0  0  0  0
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 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
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 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  6  0  0  0
 22 27  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  6  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (2,055)
2055

>  <Formula> (2,055)
C22H22O11

>  <MolWeight> (2,055)
462.40348

>  <Item Name> (2,055)
Tectoridin

>  <Catalog Number> (2,055)
S3818

>  <Synonyms> (2,055)
Shekanin

>  <Target> (2,055)
Others

>  <Form> (2,055)
free base

>  <URL> (2,055)
http://www.selleckchem.com/products/tectoridin.html

>  <CAS Number> (2,055)
611-40-5

$$$$
S4789 5-Acetylsalicylic acid.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4273    4.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6273    3.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4273    5.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6533    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    6.2824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    6.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    1.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657    1.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0715    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,056)
2056

>  <Formula> (2,056)
C9H8O4

>  <MolWeight> (2,056)
180.15742

>  <Item Name> (2,056)
5-Acetylsalicylic acid

>  <Catalog Number> (2,056)
S4789

>  <Synonyms> (2,056)
5-acetyl-2-hydroxybenzoic acid, Mesalamine, Mesalazine

>  <Target> (2,056)
Immunology & Inflammation related

>  <Form> (2,056)
free base

>  <URL> (2,056)
http://www.selleckchem.com/products/5-acetylsalicylic-acid.html

>  <CAS Number> (2,056)
13110-96-8

$$$$
S4790 3-Hydroxyflavone.cdx
csChFnd80/10101813032D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    2.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8537    4.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0561    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6433    4.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    4.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4850    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2666    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    4.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    2.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    6.3104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2184    4.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040    4.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
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 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,057)
2057

>  <Formula> (2,057)
C15H10O3

>  <MolWeight> (2,057)
238.2381

>  <Item Name> (2,057)
3-Hydroxyflavone

>  <Catalog Number> (2,057)
S4790

>  <Synonyms> (2,057)
Flavon-3-ol, 3-HF, 3-Hydroxy-2-phenylchromone

>  <Target> (2,057)
Others

>  <Form> (2,057)
free base

>  <URL> (2,057)
http://www.selleckchem.com/products/3-hydroxyflavone.html

>  <CAS Number> (2,057)
577-85-5

$$$$
S4793 Cedryl acetate.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.9610    1.1318    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5609    1.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1271    2.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2590    3.2855    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.8980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6783    4.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    5.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9681    5.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0903    4.6186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5241    3.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4011    4.2381    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4211    5.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7001    2.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6770    2.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3924    2.4636    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5414    3.4258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7850    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8150    4.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
  1 15  1  0  0  0  0
  4 15  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  6  0  0  0
  1 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,058)
2058

>  <Formula> (2,058)
C17H28O2

>  <MolWeight> (2,058)
264.40302

>  <Item Name> (2,058)
Cedryl acetate

>  <Catalog Number> (2,058)
S4793

>  <Synonyms> (2,058)
Cedrol acetate, Cedranyl acetate

>  <Target> (2,058)
Others

>  <Form> (2,058)
free base

>  <URL> (2,058)
http://www.selleckchem.com/products/cedryl-acetate.html

>  <CAS Number> (2,058)
77-54-3

$$$$
S4800 Daminozide.cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,059)
2059

>  <Formula> (2,059)
C6H12N2O3

>  <MolWeight> (2,059)
160.17108

>  <Item Name> (2,059)
Daminozide

>  <Catalog Number> (2,059)
S4800

>  <Synonyms> (2,059)
Aminozide, Succinic Acid

>  <Target> (2,059)
PHF8,KDM2A 

>  <Form> (2,059)
free base

>  <URL> (2,059)
http://www.selleckchem.com/products/daminozide.html

>  <CAS Number> (2,059)
1596-84-5

$$$$
S4809 3-Indolepropionic acid.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4280    2.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550    2.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4147    0.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179    2.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5754    1.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1825    3.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7533    0.2675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1979    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    2.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5508    4.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9783    5.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3466    5.7981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0376    6.5386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,060)
2060

>  <Formula> (2,060)
C11H11NO2

>  <MolWeight> (2,060)
189.21054

>  <Item Name> (2,060)
3-Indolepropionic acid

>  <Catalog Number> (2,060)
S4809

>  <Synonyms> (2,060)
 indole-3-propionic acid, Indolepropionic acid

>  <Target> (2,060)
Others

>  <Form> (2,060)
free base

>  <URL> (2,060)
http://www.selleckchem.com/products/3-indolepropionic-acid.html

>  <CAS Number> (2,060)
830-96-6

$$$$
S4779 Menadiol Diacetate.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4206    5.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    4.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    6.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049    6.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6362    3.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    3.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    5.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    7.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    4.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6362    2.1020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0029    4.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8386    8.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    3.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    7.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8386    9.7975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    2.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,061)
2061

>  <Formula> (2,061)
C15H14O4

>  <MolWeight> (2,061)
258.26926

>  <Item Name> (2,061)
Menadiol Diacetate

>  <Catalog Number> (2,061)
S4779

>  <Synonyms> (2,061)
Vitamin K4, Acetomenaphthone, Kapilin

>  <Target> (2,061)
Others

>  <Form> (2,061)
free base

>  <URL> (2,061)
http://www.selleckchem.com/products/menadiol-diacetate.html

>  <CAS Number> (2,061)
573-20-6

$$$$
S4780 7-Methoxy-4-methylcoumarin.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,062)
2062

>  <Formula> (2,062)
C11H10O3

>  <MolWeight> (2,062)
190.1953

>  <Item Name> (2,062)
7-Methoxy-4-methylcoumarin

>  <Catalog Number> (2,062)
S4780

>  <Synonyms> (2,062)
N/A

>  <Target> (2,062)
Others

>  <Form> (2,062)
free base

>  <URL> (2,062)
http://www.selleckchem.com/products/7-methoxy-4-methylcoumarin.html

>  <CAS Number> (2,062)
2555-28-4

$$$$
S4781 Xanthoxyline.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,063)
2063

>  <Formula> (2,063)
C10H12O4

>  <MolWeight> (2,063)
196.19988

>  <Item Name> (2,063)
Xanthoxyline

>  <Catalog Number> (2,063)
S4781

>  <Synonyms> (2,063)
Brevifolin

>  <Target> (2,063)
Others

>  <Form> (2,063)
free base

>  <URL> (2,063)
http://www.selleckchem.com/products/xanthoxyline.html

>  <CAS Number> (2,063)
90-24-4

$$$$
S4782 5-methoxyflavone.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    4.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    2.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    2.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    4.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397    4.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    2.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012    4.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    6.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397    6.3031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0028    7.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2722    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4865    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4853    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,064)
2064

>  <Formula> (2,064)
C16H12O3

>  <MolWeight> (2,064)
252.26468

>  <Item Name> (2,064)
5-methoxyflavone

>  <Catalog Number> (2,064)
S4782

>  <Synonyms> (2,064)
N/A

>  <Target> (2,064)
DNA polymerase ¦Â

>  <Form> (2,064)
free base

>  <URL> (2,064)
http://www.selleckchem.com/products/5-methoxyflavone.html

>  <CAS Number> (2,064)
42079-78-7

$$$$
S4783 Benzyl isothiocyanate.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4162    2.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1974    2.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270    0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8369    2.1266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0081    0.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0514    2.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2638    3.5278    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,065)
2065

>  <Formula> (2,065)
C8H7NS

>  <MolWeight> (2,065)
149.21288

>  <Item Name> (2,065)
Benzyl isothiocyanate

>  <Catalog Number> (2,065)
S4783

>  <Synonyms> (2,065)
Benzyl isothiocyanate, Benzoylthiocarbimide, Isothiocyanic Acid Benzoyl Ester

>  <Target> (2,065)
Others

>  <Form> (2,065)
free base

>  <URL> (2,065)
http://www.selleckchem.com/products/benzyl-isothiocyanate.html

>  <CAS Number> (2,065)
622-78-6

$$$$
S4784 Phloracetophenone.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6396    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6240    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    2.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    2.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282    0.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8364    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2368    2.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    4.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,066)
2066

>  <Formula> (2,066)
C8H8O4

>  <MolWeight> (2,066)
168.14672

>  <Item Name> (2,066)
Phloracetophenone

>  <Catalog Number> (2,066)
S4784

>  <Synonyms> (2,066)
2,4,6-trihydroxyacetophenone

>  <Target> (2,066)
Others

>  <Form> (2,066)
free base

>  <URL> (2,066)
http://www.selleckchem.com/products/phloracetophenone.html

>  <CAS Number> (2,066)
480-66-0

$$$$
S4785 Nicotinamide N-oxide.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4179    3.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2038    4.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    3.4874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    5.5882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    2.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,067)
2067

>  <Formula> (2,067)
C6H6N2O2

>  <MolWeight> (2,067)
138.12404

>  <Item Name> (2,067)
Nicotinamide N-oxide

>  <Catalog Number> (2,067)
S4785

>  <Synonyms> (2,067)
Nicotinamide 1-oxide, 1-oxynicotinamide, 1-Oxy-nicotinamide

>  <Target> (2,067)
Others

>  <Form> (2,067)
free base

>  <URL> (2,067)
http://www.selleckchem.com/products/nicotinamide-n-oxide.html

>  <CAS Number> (2,067)
1986-81-8

$$$$
S4787 Methyl syringate.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,068)
2068

>  <Formula> (2,068)
C10H12O5

>  <MolWeight> (2,068)
212.19928

>  <Item Name> (2,068)
Methyl syringate

>  <Catalog Number> (2,068)
S4787

>  <Synonyms> (2,068)
Syringic Acid Methyl Ester

>  <Target> (2,068)
TRPA1 

>  <Form> (2,068)
free base

>  <URL> (2,068)
http://www.selleckchem.com/products/methyl-syringate.html

>  <CAS Number> (2,068)
884-35-5

$$$$
S4769 L-5-Hydroxytryptophan.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.1392    5.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7668    3.1499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7768    4.1398    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4064    3.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9691    2.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7879    1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9612    0.2585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6311    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062    0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1492    6.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4915    5.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  5 13  1  0  0  0  0
  8 13  1  0  0  0  0
  1 14  2  0  0  0  0
  1 15  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,069)
2069

>  <Formula> (2,069)
C11H12N2O3

>  <MolWeight> (2,069)
220.22458

>  <Item Name> (2,069)
L-5-Hydroxytryptophan

>  <Catalog Number> (2,069)
S4769

>  <Synonyms> (2,069)
L-oxitriptan

>  <Target> (2,069)
Others

>  <Form> (2,069)
free base

>  <URL> (2,069)
http://www.selleckchem.com/products/l-5-hydroxytryptophan.html

>  <CAS Number> (2,069)
4350-09-8

$$$$
S4771 ¦Â-thujaplicin.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.5490    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8377    2.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071    2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5490    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1472    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3336    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7583    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2595    5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5084    4.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8596    5.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8491    6.4263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,070)
2070

>  <Formula> (2,070)
C10H12O2

>  <MolWeight> (2,070)
164.20108

>  <Item Name> (2,070)
¦Â-thujaplicin

>  <Catalog Number> (2,070)
S4771

>  <Synonyms> (2,070)
Hinokitiol, 4-Isopropyltropolone

>  <Target> (2,070)
Others

>  <Form> (2,070)
free base

>  <URL> (2,070)
http://www.selleckchem.com/products/beta-thujaplicin.html

>  <CAS Number> (2,070)
499-44-5

$$$$
S4772 alpha-Asarone.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,071)
2071

>  <Formula> (2,071)
C12H16O3

>  <MolWeight> (2,071)
208.25364

>  <Item Name> (2,071)
alpha-Asarone

>  <Catalog Number> (2,071)
S4772

>  <Synonyms> (2,071)
trans-Asarone

>  <Target> (2,071)
Others

>  <Form> (2,071)
free base

>  <URL> (2,071)
http://www.selleckchem.com/products/alpha-asarone.html

>  <CAS Number> (2,071)
2883-98-9

$$$$
S4773 Adrenosterone.cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.8506    2.8640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6417    2.1623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0783    2.1813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8200    4.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683    0.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    2.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6227    3.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2910    2.9402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0783    0.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0403    5.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6111    4.9651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8962    0.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482    0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897    2.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2530    4.3396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6448    2.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1897    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5953    4.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4322    5.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4341    3.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0109    6.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8696    1.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0707    3.2566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3368    1.9715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 23  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  1  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  2  0  0  0  0
  6 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 25  1  6  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  1  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,072)
2072

>  <Formula> (2,072)
C19H24O3

>  <MolWeight> (2,072)
300.39206

>  <Item Name> (2,072)
Adrenosterone

>  <Catalog Number> (2,072)
S4773

>  <Synonyms> (2,072)
Reichstein's substance G, 11-ketoandrostenedione, 11-oxoandrostenedione

>  <Target> (2,072)
Others

>  <Form> (2,072)
free base

>  <URL> (2,072)
http://www.selleckchem.com/products/adrenosterone.html

>  <CAS Number> (2,072)
382-45-6

$$$$
S4774 Xanthurenic Acid.cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4446    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4316    3.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339    1.3965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2226    4.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8592    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0064    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    3.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577    5.5865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    1.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2824    2.1038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    0.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,073)
2073

>  <Formula> (2,073)
C10H7NO4

>  <MolWeight> (2,073)
205.16688

>  <Item Name> (2,073)
Xanthurenic Acid

>  <Catalog Number> (2,073)
S4774

>  <Synonyms> (2,073)
xanthurenate; 8-Hydroxykynurenic acid; 4,8-Dihydroxyquinaldic acid

>  <Target> (2,073)
mGlu2,mGlu3

>  <Form> (2,073)
free base

>  <URL> (2,073)
http://www.selleckchem.com/products/xanthurenic-acid.html

>  <CAS Number> (2,073)
59-00-7

$$$$
S4775 Cortodoxone.cdx
csChFnd80/10101813032D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.3181    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1062    2.1177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3181    4.2165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6509    2.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1201    0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6509    4.6391    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0784    4.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4495    3.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6729    2.1177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8756    4.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2174    5.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0347    4.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5873    6.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3861    7.0444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    0.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    2.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4185    4.9456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896    1.4186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1062    3.5177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3181    1.4186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3181    5.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  6  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 12 15  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
  5 25  1  6  0  0  0
  2 26  1  1  0  0  0
  1 27  1  6  0  0  0
  3 28  1  1  0  0  0
M  END
>  <Mol_ID> (2,074)
2074

>  <Formula> (2,074)
C21H30O4

>  <MolWeight> (2,074)
346.4605

>  <Item Name> (2,074)
Cortodoxone

>  <Catalog Number> (2,074)
S4775

>  <Synonyms> (2,074)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (2,074)
Glucocorticoid Receptor

>  <Form> (2,074)
free base

>  <URL> (2,074)
http://www.selleckchem.com/products/cortodoxone.html

>  <CAS Number> (2,074)
152-58-9

$$$$
S4776 Harmaline.cdx
csChFnd80/10101813032D

 16 18  0  0  0  0  0  0  0  0999 V2000
    6.4943    2.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0943    2.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9327    1.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4266    3.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1530    3.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8037    0.7869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3034    1.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7972    3.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2993    1.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7849    3.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2356    2.3740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7417    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3581    2.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    2.0473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,075)
2075

>  <Formula> (2,075)
C13H14N2O

>  <MolWeight> (2,075)
214.26306

>  <Item Name> (2,075)
Harmaline

>  <Catalog Number> (2,075)
S4776

>  <Synonyms> (2,075)
Others

>  <Target> (2,075)
acetylcholinesterase

>  <Form> (2,075)
free base

>  <URL> (2,075)
http://www.selleckchem.com/products/harmaline.html

>  <CAS Number> (2,075)
304-21-2

$$$$
S4777 Plumbagin.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  6 13  1  0  0  0  0
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  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,076)
2076

>  <Formula> (2,076)
C11H8O3

>  <MolWeight> (2,076)
188.17942

>  <Item Name> (2,076)
Plumbagin

>  <Catalog Number> (2,076)
S4777

>  <Synonyms> (2,076)
Plumbagine, Plumbaein, Plumbagone

>  <Target> (2,076)
Others

>  <Form> (2,076)
free base

>  <URL> (2,076)
http://www.selleckchem.com/products/plumbagin.html

>  <CAS Number> (2,076)
481-42-5

$$$$
S4778 o-Veratraldehyde.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4166    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2334    2.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2334    4.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6433    0.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8535    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  4  9  1  0  0  0  0
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  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,077)
2077

>  <Formula> (2,077)
C9H10O3

>  <MolWeight> (2,077)
166.1739

>  <Item Name> (2,077)
o-Veratraldehyde

>  <Catalog Number> (2,077)
S4778

>  <Synonyms> (2,077)
 2,3-Dimethoxybenzaldehyde

>  <Target> (2,077)
Others

>  <Form> (2,077)
free base

>  <URL> (2,077)
http://www.selleckchem.com/products/o-veratraldehyde.html

>  <CAS Number> (2,077)
86-51-1

$$$$
S3830 Protodioscin.cdx
csChFnd80/10101813032D

 78 86  0  0  0  0  0  0  0  0999 V2000
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   16.3125   10.1894    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.4041    3.2974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2772   10.1287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6611   10.2191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 68 71  1  1  0  0  0
M  END
>  <Mol_ID> (2,078)
2078

>  <Formula> (2,078)
C51H84O22

>  <MolWeight> (2,078)
1049.19946

>  <Item Name> (2,078)
Protodioscin

>  <Catalog Number> (2,078)
S3830

>  <Synonyms> (2,078)
Furostanol I

>  <Target> (2,078)
Androgen Receptor

>  <Form> (2,078)
free base

>  <URL> (2,078)
http://www.selleckchem.com/products/protodioscin.html

>  <CAS Number> (2,078)
55056-80-9

$$$$
S4794 Drostanolone Propionate.cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.0774    2.8011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8665    3.4987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2935    3.4987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0774    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6475    2.8011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8665    4.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2935    4.9092    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6223    3.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
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  7 14  1  0  0  0  0
  7 13  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
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 14 18  1  1  0  0  0
 14 15  1  0  0  0  0
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 18 21  1  0  0  0  0
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 23 25  1  0  0  0  0
  1 28  1  1  0  0  0
  3 29  1  6  0  0  0
  7 30  1  1  0  0  0
M  END
>  <Mol_ID> (2,079)
2079

>  <Formula> (2,079)
C23H36O3

>  <MolWeight> (2,079)
360.53014

>  <Item Name> (2,079)
Drostanolone Propionate

>  <Catalog Number> (2,079)
S4794

>  <Synonyms> (2,079)
dromostanolone propionate, NSC-12198, Drostanolone 17¦Â-propionate

>  <Target> (2,079)
Androgen Receptor

>  <Form> (2,079)
free base

>  <URL> (2,079)
http://www.selleckchem.com/products/drostanolone-propionate.html

>  <CAS Number> (2,079)
521-12-0

$$$$
S4795 Trenbolone acetate.cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.1999    2.8652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1999    4.2748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0152    2.1442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5865    2.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5865    4.6790    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9968    4.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1999    5.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7937    2.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0152    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4222    3.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0504    5.9968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7937    4.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    2.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8304    0.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4049    6.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4060    2.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2962    5.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  1  0  0  0
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  5 11  1  1  0  0  0
  5 10  1  0  0  0  0
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  8 13  2  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,080)
2080

>  <Formula> (2,080)
C20H24O3

>  <MolWeight> (2,080)
312.40276

>  <Item Name> (2,080)
Trenbolone acetate

>  <Catalog Number> (2,080)
S4795

>  <Synonyms> (2,080)
RU-1697, Trenbolone 17¦Â-acetate

>  <Target> (2,080)
Androgen Receptor

>  <Form> (2,080)
free base

>  <URL> (2,080)
http://www.selleckchem.com/products/trenbolone-acetate.html

>  <CAS Number> (2,080)
10161-34-9

$$$$
S4796 Methandrostenolone.cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.0849    2.1444    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8726    2.8445    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2931    2.8445    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0849    0.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    2.1444    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8726    4.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2931    4.2487    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6294    2.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8726    0.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    0.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4564    2.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1 21  1  1  0  0  0
  1  4  1  0  0  0  0
  2 22  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 23  1  6  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  1  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  1  0  0  0  0
  7 20  1  1  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 14 15  1  0  0  0  0
 14 24  1  6  0  0  0
 14 25  1  1  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,081)
2081

>  <Formula> (2,081)
C20H28O2

>  <MolWeight> (2,081)
300.43512

>  <Item Name> (2,081)
Methandrostenolone

>  <Catalog Number> (2,081)
S4796

>  <Synonyms> (2,081)
Dianabol, Metanabol, Methandienone, Methandrolone, Dehydromethyltestosterone, Perabol

>  <Target> (2,081)
Others

>  <Form> (2,081)
free base

>  <URL> (2,081)
http://www.selleckchem.com/products/methandrostenolone.html

>  <CAS Number> (2,081)
72-63-9

$$$$
S4799 Indole-3-acetic acid.cdx
csChFnd80/10101813032D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4447    2.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.6825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7823    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2425    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.2308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2023    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5888    1.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2340    3.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0201    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074    4.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5831    3.0882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9892    5.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,082)
2082

>  <Formula> (2,082)
C10H9NO2

>  <MolWeight> (2,082)
175.18396

>  <Item Name> (2,082)
Indole-3-acetic acid

>  <Catalog Number> (2,082)
S4799

>  <Synonyms> (2,082)
indolylacetic acid, 1H-Indole-3-acetic acid, indoleacetic acid, heteroauxin, IAA

>  <Target> (2,082)
Others

>  <Form> (2,082)
free base

>  <URL> (2,082)
http://www.selleckchem.com/products/indole-3-acetic-acid.html

>  <CAS Number> (2,082)
87-51-4

$$$$
S4801 6-Chloropurine.cdx
csChFnd80/10101813032D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4263    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7587    2.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7569    0.2666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0029    2.1006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    4.2012    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5807    1.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
  9  6  1  0  0  0  0
M  END
>  <Mol_ID> (2,083)
2083

>  <Formula> (2,083)
C5H3ClN4

>  <MolWeight> (2,083)
154.55712

>  <Item Name> (2,083)
6-Chloropurine

>  <Catalog Number> (2,083)
S4801

>  <Synonyms> (2,083)
N/A

>  <Target> (2,083)
Others

>  <Form> (2,083)
free base

>  <URL> (2,083)
http://www.selleckchem.com/products/6-chloropurine.html

>  <CAS Number> (2,083)
87-42-3

$$$$
S4803 Thymidine.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.4448    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8796    1.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7033    2.3981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1051    2.3981    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9237    1.2582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5527    3.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    4.5554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2918    3.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    5.9524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2092    6.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2092    8.0534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    8.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255   10.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    8.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    8.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    6.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  9 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,084)
2084

>  <Formula> (2,084)
C10H14N2O5

>  <MolWeight> (2,084)
242.22856

>  <Item Name> (2,084)
Thymidine

>  <Catalog Number> (2,084)
S4803

>  <Synonyms> (2,084)
Deoxythymidine, 2'-Deoxythymidine, 5-Methyldeoxyuridine

>  <Target> (2,084)
Others

>  <Form> (2,084)
free base

>  <URL> (2,084)
http://www.selleckchem.com/products/thymidine.html

>  <CAS Number> (2,084)
50-89-5

$$$$
S4804 1-Naphthyl acetate.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,085)
2085

>  <Formula> (2,085)
C12H10O2

>  <MolWeight> (2,085)
186.2066

>  <Item Name> (2,085)
1-Naphthyl acetate

>  <Catalog Number> (2,085)
S4804

>  <Synonyms> (2,085)
N/A

>  <Target> (2,085)
Others

>  <Form> (2,085)
free base

>  <URL> (2,085)
http://www.selleckchem.com/products/1-naphthyl-acetate.html

>  <CAS Number> (2,085)
830-81-9

$$$$
S4805 Carboxine.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.4383    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6507    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4383    4.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    2.0918    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8632    2.7977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6507    0.6977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333    4.8937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481    4.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0223    4.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2906    2.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2893    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5018    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5026    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,086)
2086

>  <Formula> (2,086)
C12H13NO2S

>  <MolWeight> (2,086)
235.30212

>  <Item Name> (2,086)
Carboxine

>  <Catalog Number> (2,086)
S4805

>  <Synonyms> (2,086)
Carbathiin, Vitavax, Kisvax, Carboxin

>  <Target> (2,086)
Others

>  <Form> (2,086)
free base

>  <URL> (2,086)
http://www.selleckchem.com/products/carboxine.html

>  <CAS Number> (2,086)
5234-68-4

$$$$
S4762 2,4-Dihydroxyacetophenone.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2238    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270    3.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    3.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    5.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4316    2.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394    4.2053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4368    6.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0120    6.3003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2270    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2270    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,087)
2087

>  <Formula> (2,087)
C8H8O3

>  <MolWeight> (2,087)
152.14732

>  <Item Name> (2,087)
2,4-Dihydroxyacetophenone

>  <Catalog Number> (2,087)
S4762

>  <Synonyms> (2,087)
Resacetophenone, 4-Acetylresorcinol

>  <Target> (2,087)
Others

>  <Form> (2,087)
free base

>  <URL> (2,087)
http://www.selleckchem.com/products/2-4-dihydroxyacetophenone.html

>  <CAS Number> (2,087)
89-84-9

$$$$
S4763 4-Hydroxychalcone.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.4996    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7138    1.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5040    3.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9397    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7259    4.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9354    3.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6528    3.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370    1.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    4.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,088)
2088

>  <Formula> (2,088)
C15H12O2

>  <MolWeight> (2,088)
224.25458

>  <Item Name> (2,088)
4-Hydroxychalcone

>  <Catalog Number> (2,088)
S4763

>  <Synonyms> (2,088)
P-Cinnamoylphenol

>  <Target> (2,088)
Others

>  <Form> (2,088)
free base

>  <URL> (2,088)
http://www.selleckchem.com/products/4-hydroxychalcone.html

>  <CAS Number> (2,088)
20426-12-4

$$$$
S4764 Melezitose.cdx
csChFnd80/10101813032D

 35 36  0  0  0  0  0  0  0  0999 V2000
    6.3509    7.3661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8628    6.1048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0934    6.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231    8.2464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0816    4.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1885    6.1490    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9000    7.4549    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5664    7.5091    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8530    3.5125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1084    5.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9144    8.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6980    6.7955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8720    8.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6687    4.1588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8572    2.0913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6964    9.5468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4779    7.4600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7002    5.3955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9625    7.1366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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A   35
xH2O
M  END
>  <Mol_ID> (2,089)
2089

>  <Formula> (2,089)
C18H32O16R

>  <MolWeight> (2,089)
504.43708

>  <Item Name> (2,089)
Melezitose

>  <Catalog Number> (2,089)
S4764

>  <Synonyms> (2,089)
melicitose

>  <Target> (2,089)
Others

>  <Form> (2,089)
hydrate

>  <URL> (2,089)
http://www.selleckchem.com/products/melezitose.html

>  <CAS Number> (2,089)
207511-10-2

$$$$
S4765 Syringaldehyde.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,090)
2090

>  <Formula> (2,090)
C9H10O4

>  <MolWeight> (2,090)
182.1733

>  <Item Name> (2,090)
Syringaldehyde

>  <Catalog Number> (2,090)
S4765

>  <Synonyms> (2,090)
Syringic aldehyde

>  <Target> (2,090)
Others

>  <Form> (2,090)
free base

>  <URL> (2,090)
http://www.selleckchem.com/products/syringaldehyde.html

>  <CAS Number> (2,090)
134-96-3

$$$$
S4767 7-Hydroxy-3,4-dihydrocarbostyril.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.8677    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
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  6  3  2  0  0  0  0
 10  3  1  0  0  0  0
  9  4  2  0  0  0  0
  8  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,091)
2091

>  <Formula> (2,091)
C9H9NO2

>  <MolWeight> (2,091)
163.17326

>  <Item Name> (2,091)
7-Hydroxy-3,4-dihydrocarbostyril

>  <Catalog Number> (2,091)
S4767

>  <Synonyms> (2,091)
N/A

>  <Target> (2,091)
Others

>  <Form> (2,091)
free base

>  <URL> (2,091)
http://www.selleckchem.com/products/7-hydroxy-3-4-dihydrocarbostyril.html

>  <CAS Number> (2,091)
22246-18-0

$$$$
S4768 Melibiose.cdx
csChFnd80/10101813032D

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    2.4398    1.4036    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
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  5 10  1  6  0  0  0
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  6  9  1  0  0  0  0
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 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,092)
2092

>  <Formula> (2,092)
C12H22O11

>  <MolWeight> (2,092)
342.29648

>  <Item Name> (2,092)
Melibiose

>  <Catalog Number> (2,092)
S4768

>  <Synonyms> (2,092)
Galalpha1-6Glcbeta

>  <Target> (2,092)
Others

>  <Form> (2,092)
free base

>  <URL> (2,092)
http://www.selleckchem.com/products/melibiose.html

>  <CAS Number> (2,092)
585-99-9

$$$$
S4807 Uracil 1-¦Â-D-arabinofuranoside.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.9238    3.2923    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9238    4.6893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7848    2.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0530    2.4646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7132    5.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1424    5.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    1.1374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6155    1.1328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3830    2.8920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7189    6.7960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    4.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3888    0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,093)
2093

>  <Formula> (2,093)
C9H12N2O6

>  <MolWeight> (2,093)
244.20138

>  <Item Name> (2,093)
Uracil 1-¦Â-D-arabinofuranoside

>  <Catalog Number> (2,093)
S4807

>  <Synonyms> (2,093)
Spongouridine, Arauridine, 1-beta-D-Arabinofuranosyluracil, Ara-U

>  <Target> (2,093)
Others

>  <Form> (2,093)
free base

>  <URL> (2,093)
http://www.selleckchem.com/products/uracil-1-beta-d-arabinofuranoside.html

>  <CAS Number> (2,093)
3083-77-0

$$$$
S3949 N-Sulfo-glucosamine sodium salt.cdx
csChFnd80/10101813032D

 17 15  0  0  0  0  0  0  0  0999 V2000
    3.5110    2.5856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1112    2.5726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1998    3.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2110    1.3732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.7786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4112    1.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3738    6.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
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M  END
>  <Mol_ID> (2,094)
2094

>  <Formula> (2,094)
C6H12NNaO8S

>  <MolWeight> (2,094)
281.21615

>  <Item Name> (2,094)
N-Sulfo-glucosamine sodium salt

>  <Catalog Number> (2,094)
S3949

>  <Synonyms> (2,094)
N-sulfoglucosamine sodium salt, N-Sulfo-D-glucosamine sodium salt

>  <Target> (2,094)
Others

>  <Form> (2,094)
sodium salt

>  <URL> (2,094)
http://www.selleckchem.com/products/n-sulfo-glucosamine-sodium-salt.html

>  <CAS Number> (2,094)
38899-05-7

$$$$
S3950 Maltitol.cdx
csChFnd80/10101813032D

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    3.4956    4.8497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1956    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4872    7.2666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3993    6.0630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3999    3.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2956    4.8497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2956    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1223    7.2666    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,095)
2095

>  <Formula> (2,095)
C12H24O11

>  <MolWeight> (2,095)
344.31236

>  <Item Name> (2,095)
Maltitol

>  <Catalog Number> (2,095)
S3950

>  <Synonyms> (2,095)
Maltisorb, 4-O-¦Á-glucopyranosyl-D-sorbitol

>  <Target> (2,095)
Others

>  <Form> (2,095)
free base

>  <URL> (2,095)
http://www.selleckchem.com/products/maltitol.html

>  <CAS Number> (2,095)
585-88-6

$$$$
S3951 Tannic acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,096)
2096

>  <Formula> (2,096)
C76H52O46

>  <MolWeight> (2,096)
1701.19848

>  <Item Name> (2,096)
Tannic acid

>  <Catalog Number> (2,096)
S3951

>  <Synonyms> (2,096)
Gallotannic acid

>  <Target> (2,096)
CXCR4 

>  <Form> (2,096)
free base

>  <URL> (2,096)
http://www.selleckchem.com/products/tannic-acid.html

>  <CAS Number> (2,096)
1401-55-4

$$$$
S3967 Flavone.cdx
csChFnd80/10101813032D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4322    4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    4.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    4.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    2.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    2.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8570    4.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    6.3190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074    4.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0584    2.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2598    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4832    2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4759    0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,097)
2097

>  <Formula> (2,097)
C15H10O2

>  <MolWeight> (2,097)
222.2387

>  <Item Name> (2,097)
Flavone

>  <Catalog Number> (2,097)
S3967

>  <Synonyms> (2,097)
 2-Phenylchromone, 2-Phenyl-4-chromone, 2-Phenyl-4-benzopyron

>  <Target> (2,097)
Others

>  <Form> (2,097)
free base

>  <URL> (2,097)
http://www.selleckchem.com/products/flavone.html

>  <CAS Number> (2,097)
525-82-6

$$$$
S3975 Protocatechuic acid.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6385    3.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    4.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    3.4988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    5.5984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,098)
2098

>  <Formula> (2,098)
C7H6O4

>  <MolWeight> (2,098)
154.12014

>  <Item Name> (2,098)
Protocatechuic acid

>  <Catalog Number> (2,098)
S3975

>  <Synonyms> (2,098)
3,4-Dihydroxybenzoic acid, Protocatechuate

>  <Target> (2,098)
Others

>  <Form> (2,098)
free base

>  <URL> (2,098)
http://www.selleckchem.com/products/protocatechuic-acid.html

>  <CAS Number> (2,098)
99-50-3

$$$$
S3976 Acetylvanillin.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,099)
2099

>  <Formula> (2,099)
C10H10O4

>  <MolWeight> (2,099)
194.184

>  <Item Name> (2,099)
Acetylvanillin
Acetylvanillin

>  <Catalog Number> (2,099)
S3976

>  <Synonyms> (2,099)
Acetovanillin, Vanillin acetate, 4-Acetoxy-3-methoxybenzaldehyde, 4-Formyl-2-methoxyphenyl acetate

>  <Target> (2,099)
Others

>  <Form> (2,099)
free base

>  <URL> (2,099)
http://www.selleckchem.com/products/acetylvanillin.html

>  <CAS Number> (2,099)
881-68-5

$$$$
S3977 (-)-Borneol.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7041    1.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    2.2429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7020    2.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    2.6063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3545    3.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421    4.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7168    5.1697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    3.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960    3.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  6  0  0  0
  4 11  1  6  0  0  0
  2 12  1  1  0  0  0
M  END
>  <Mol_ID> (2,100)
2100

>  <Formula> (2,100)
C10H18O

>  <MolWeight> (2,100)
154.24932

>  <Item Name> (2,100)
(-)-Borneol

>  <Catalog Number> (2,100)
S3977

>  <Synonyms> (2,100)
L-Borneol

>  <Target> (2,100)
Others

>  <Form> (2,100)
free base

>  <URL> (2,100)
http://www.selleckchem.com/products/l-borneol.html

>  <CAS Number> (2,100)
464-45-9

$$$$
S3978 5-Phenyl-2,4-pentadienoic acid.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4236    2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    2.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    0.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8465    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0456    2.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051    0.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2580    2.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4690    2.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6814    1.9186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4690    4.0386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,101)
2101

>  <Formula> (2,101)
C11H10O2

>  <MolWeight> (2,101)
174.1959

>  <Item Name> (2,101)
5-Phenyl-2,4-pentadienoic acid

>  <Catalog Number> (2,101)
S3978

>  <Synonyms> (2,101)
5-Phenylpenta-2,4-dienoic acid

>  <Target> (2,101)
Others

>  <Form> (2,101)
free base

>  <URL> (2,101)
http://www.selleckchem.com/products/5-phenyl-2-4-pentadienoic-acid.html

>  <CAS Number> (2,101)
1552-94-9

$$$$
S3980 Pyridoxine.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6436    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0317    2.7911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    4.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0505    0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,102)
2102

>  <Formula> (2,102)
C8H11NO3

>  <MolWeight> (2,102)
169.17784

>  <Item Name> (2,102)
Pyridoxine

>  <Catalog Number> (2,102)
S3980

>  <Synonyms> (2,102)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (2,102)
Others

>  <Form> (2,102)
free base

>  <URL> (2,102)
http://www.selleckchem.com/products/pyridoxine.html

>  <CAS Number> (2,102)
65-23-6

$$$$
CEFTIN (cefuroxime axetil).cdx
csChFnd80/10101813032D

 37 39  0  0  0  0  0  0  0  0999 V2000
    7.3817    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    2.3481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7817    2.3481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7817    3.7481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    1.6481    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066    2.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    4.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4148    4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6230    3.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8313    4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    5.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7859    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2024    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2024    7.9359    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4106    8.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6188    7.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6188    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8271    8.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9817    2.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693    1.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    2.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693    0.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    3.7408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    4.4408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    5.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298    1.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    0.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7817    0.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8313    5.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0395    3.7481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9942    8.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9700    2.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6604    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385    0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  8  4  1  0  0  0  0
  1  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  2 21  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
 12 31  2  0  0  0  0
 12 32  1  0  0  0  0
 16 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,103)
2103

>  <Formula> (2,103)
C20H22N4O10S

>  <MolWeight> (2,103)
510.47448

>  <Item Name> (2,103)
Cefuroxime axetil

>  <Catalog Number> (2,103)
S4813

>  <Synonyms> (2,103)
N/A

>  <Target> (2,103)
Antifection

>  <Form> (2,103)
free base

>  <URL> (2,103)
http://www.selleckchem.com/products/cefuroxime-axetil.html

>  <CAS Number> (2,103)
64544-07-6

$$$$
S4843 Potassium acetate.cdx
csChFnd80/10101813032D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
M  END
>  <Mol_ID> (2,104)
2104

>  <Formula> (2,104)
C2H3KO2

>  <MolWeight> (2,104)
98.14232

>  <Item Name> (2,104)
Potassium acetate

>  <Catalog Number> (2,104)
S4843

>  <Synonyms> (2,104)
Diuretic salt, Potassium ethanoate

>  <Target> (2,104)
Others

>  <Form> (2,104)
potassium salt

>  <URL> (2,104)
http://www.selleckchem.com/products/potassium-acetate.html

>  <CAS Number> (2,104)
127-08-2

$$$$
S4844 Cefcapene Pivoxil Hydrochloride.cdx
csChFnd80/10101813032D

 41 41  0  0  0  0  0  0  0  0999 V2000
    9.8469    3.9919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8469    5.3985    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0326    3.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3224    3.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3224    5.3985    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0326    6.1425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2626    3.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0326    1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3871    3.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2176    6.2751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2626    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5073    3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2405    1.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8469    1.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625    5.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6633    4.0286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4703    1.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6987    6.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625    4.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6633    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7224    1.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4837    5.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6987    7.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5439    6.1939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8714    6.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9376    1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689    4.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2611    6.0616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9803    8.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1823    1.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9376    3.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1062    3.8298    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3331    5.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9188    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3826    1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6003    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8837    6.6799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6352    0.5377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7052    1.6925    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9803    9.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 38  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 27  2  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  2  0  0  0  0
 27 32  1  0  0  0  0
 28 33  2  0  0  0  0
 30 34  1  0  0  0  0
 30 35  1  0  0  0  0
 30 36  1  0  0  0  0
 32 33  1  0  0  0  0
 33 37  1  0  0  0  0
 29 41  1  0  0  0  0
M  END
>  <Mol_ID> (2,105)
2105

>  <Formula> (2,105)
C23H32ClN5O9S2

>  <MolWeight> (2,105)
622.11128

>  <Item Name> (2,105)
Cefcapene Pivoxil Hydrochloride

>  <Catalog Number> (2,105)
S4844

>  <Synonyms> (2,105)
N/A

>  <Target> (2,105)
Others

>  <Form> (2,105)
hydrochloride, hydrate

>  <URL> (2,105)
http://www.selleckchem.com/products/cefcapene-pivoxil-hydrochloride.html

>  <CAS Number> (2,105)
147816-24-8

$$$$
S5005 Cefotiam hydrochloride.cdx
csChFnd80/10101813032D

 37 38  0  0  0  0  0  0  0  0999 V2000
   17.5936    5.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9836    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9575    3.7332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9836    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9836    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.1960    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5836    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5836    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.1960    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.4084    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1960    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5936    1.8101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4084    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6209    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4084    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2413    4.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8333    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.8790    3.4753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2514    5.8176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0457    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5267    3.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3247    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1921    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4387    3.9940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0249    1.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2615    1.6290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6158    4.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5615    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2645    3.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6269    1.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.9472    4.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1663    5.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.0783    6.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4733    6.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9836    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   27.8056    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   27.8056    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  2  0  0  0  0
 25 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 26 28  2  0  0  0  0
 29 30  1  0  0  0  0
  8  1  1  1  0  0  0
 16  1  1  0  0  0  0
 11  2  1  0  0  0  0
 29  3  1  0  0  0  0
  5 35  1  6  0  0  0
M  END
>  <Mol_ID> (2,106)
2106

>  <Formula> (2,106)
C18H25Cl2N9O4S3

>  <MolWeight> (2,106)
598.55

>  <Item Name> (2,106)
Cefotiam hydrochloride

>  <Catalog Number> (2,106)
S5005

>  <Synonyms> (2,106)
Cefotiam dihydrochloride, Halospor, Pansporin, Pansporine

>  <Target> (2,106)
Antifection

>  <Form> (2,106)
dihydrochloride

>  <URL> (2,106)
http://www.selleckchem.com/products/cefotiam-hydrochloride.html

>  <CAS Number> (2,106)
66309-69-1

$$$$
S5009 Brivudine.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.9299    3.2877    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9299    4.6916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7895    2.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0512    2.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7166    5.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1303    5.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2166    1.1409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6067    1.1409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7166    6.8026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5062    4.6934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1303    6.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3969    0.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4315    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9463    7.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3736    7.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9463    8.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6156    6.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8180    7.4726    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7  8  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,107)
2107

>  <Formula> (2,107)
C11H13BrN2O5

>  <MolWeight> (2,107)
333.13532

>  <Item Name> (2,107)
Brivudine

>  <Catalog Number> (2,107)
S5009

>  <Synonyms> (2,107)
BVDU

>  <Target> (2,107)
Antifection

>  <Form> (2,107)
free base

>  <URL> (2,107)
http://www.selleckchem.com/products/brivudine.html

>  <CAS Number> (2,107)
69304-47-8

$$$$
S3985 Methyl 4-hydroxybenzoate.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6354    2.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6362    0.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337    2.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8478    2.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2174    2.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0632    2.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8478    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2742    2.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,108)
2108

>  <Formula> (2,108)
C8H8O3

>  <MolWeight> (2,108)
152.14732

>  <Item Name> (2,108)
Methyl 4-hydroxybenzoate

>  <Catalog Number> (2,108)
S3985

>  <Synonyms> (2,108)
Methylparaben, Methyl paraben, Methyl p-hydroxybenzoate, Nipagin, Methyl parahydroxybenzoate

>  <Target> (2,108)
Others

>  <Form> (2,108)
free base

>  <URL> (2,108)
http://www.selleckchem.com/products/methyl-4-hydroxybenzoate.html

>  <CAS Number> (2,108)
99-76-3

$$$$
S3986 L(+)-Arabinose.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.5107    1.2154    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1047    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2102    2.4456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4909    3.6567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0861    3.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2107    0.0030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4047    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6102    2.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  1  7  1  6  0  0  0
  5  2  1  0  0  0  0
  2  8  1  1  0  0  0
  4  3  1  0  0  0  0
  3  9  1  6  0  0  0
  6  4  1  0  0  0  0
  5 10  1  1  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (2,109)
2109

>  <Formula> (2,109)
C5H10O5

>  <MolWeight> (2,109)
150.1299

>  <Item Name> (2,109)
L(+)-Arabinose

>  <Catalog Number> (2,109)
S3986

>  <Synonyms> (2,109)
L(+)-Pectinose

>  <Target> (2,109)
Others

>  <Form> (2,109)
free base

>  <URL> (2,109)
http://www.selleckchem.com/products/l-arabinose.html

>  <CAS Number> (2,109)
87-72-9

$$$$
S3987 L-Tryptophan.cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.7841    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1152    1.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2133    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3275    2.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1152    0.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7841    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5708    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8230    3.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5398    1.8313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7485    2.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5398    0.4337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9607    1.8313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7485    3.9335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  1  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,110)
2110

>  <Formula> (2,110)
C11H12N2O2

>  <MolWeight> (2,110)
204.22518

>  <Item Name> (2,110)
L-Tryptophan

>  <Catalog Number> (2,110)
S3987

>  <Synonyms> (2,110)
N/A

>  <Target> (2,110)
Others

>  <Form> (2,110)
free base

>  <URL> (2,110)
http://www.selleckchem.com/products/l-tryptophan.html

>  <CAS Number> (2,110)
73-22-3

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6380    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6409    2.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9686    3.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9733    1.6727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7939    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985    5.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7672    5.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044    1.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7062    4.5258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1971    6.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 11  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,111)
2111

>  <Formula> (2,111)
C9H10N4O4

>  <MolWeight> (2,111)
238.2001

>  <Item Name> (2,111)
Theophylline-7-acetic acid

>  <Catalog Number> (2,111)
S3988

>  <Synonyms> (2,111)
Acefylline, acetyloxytheophylline, Carboxymethyltheophylline

>  <Target> (2,111)
adenosine receptor

>  <Form> (2,111)
free base

>  <URL> (2,111)
http://www.selleckchem.com/products/theophylline-7-acetic.html

>  <CAS Number> (2,111)
652-37-9

$$$$
S3990 Trans-Anethole.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6483    0.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8591    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4385    0.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8446    2.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0737    0.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    0.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0672    2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2769    2.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4895    2.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,112)
2112

>  <Formula> (2,112)
C10H12O

>  <MolWeight> (2,112)
148.20168

>  <Item Name> (2,112)
Trans-Anethole

>  <Catalog Number> (2,112)
S3990

>  <Synonyms> (2,112)
4-Propenylanisole

>  <Target> (2,112)
Others

>  <Form> (2,112)
free base

>  <URL> (2,112)
http://www.selleckchem.com/products/trans-tnethole.html

>  <CAS Number> (2,112)
4180-23-8

$$$$
S3991 Ketoisophorone.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.5030    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2955    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7142    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5030    5.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2955    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2058    4.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7142    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9453    4.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5030    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5030    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,113)
2113

>  <Formula> (2,113)
C9H12O2

>  <MolWeight> (2,113)
152.19038

>  <Item Name> (2,113)
Ketoisophorone

>  <Catalog Number> (2,113)
S3991

>  <Synonyms> (2,113)
4-Oxoisophorone; 2,6,6-Trimethyl-2-cyclohexene-1,4-dione

>  <Target> (2,113)
Others

>  <Form> (2,113)
free base

>  <URL> (2,113)
http://www.selleckchem.com/products/ketoisophorone.html

>  <CAS Number> (2,113)
1125-21-9

$$$$
S3992 D-(+)-Trehalose dihydrate.cdx
csChFnd80/10101813032D

 25 24  0  0  0  0  0  0  0  0999 V2000
    8.1650    4.8521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8836    4.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3837    4.1801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1650    6.2929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6648    3.5308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5740    4.8976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3837    6.9820    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9520    7.0219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4462    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648    2.1243    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5740    6.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8153    4.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3837    8.3717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388    3.5308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4462    1.3897    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8836    1.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8153    6.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8746    5.0856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388    2.1243    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0145    4.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4462    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0145    1.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722    3.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   12.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  6  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  6  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  1  0  0  0
  7 13  1  1  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  6  0  0  0
 11 17  1  6  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  1  0  0  0
 15 21  1  1  0  0  0
 15 19  1  0  0  0  0
 19 22  1  6  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,114)
2114

>  <Formula> (2,114)
C12H26O13

>  <MolWeight> (2,114)
378.32704

>  <Item Name> (2,114)
D-(+)-Trehalose dihydrate

>  <Catalog Number> (2,114)
S3992

>  <Synonyms> (2,114)
N/A

>  <Target> (2,114)
Others

>  <Form> (2,114)
dihydrate

>  <URL> (2,114)
http://www.selleckchem.com/products/d-trehalose-dihyd.html

>  <CAS Number> (2,114)
6138-23-4

$$$$
S3993 Ethyl Vanillate.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6372    4.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    4.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    2.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0631    4.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    6.3115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997    4.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2223    2.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    0.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2733    4.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6438    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4845    4.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,115)
2115

>  <Formula> (2,115)
C10H12O4

>  <MolWeight> (2,115)
196.19988

>  <Item Name> (2,115)
Ethyl Vanillate

>  <Catalog Number> (2,115)
S3993

>  <Synonyms> (2,115)
Bourbonal, Ethylprotal

>  <Target> (2,115)
Others

>  <Form> (2,115)
free base

>  <URL> (2,115)
http://www.selleckchem.com/products/ethylvanillate.html

>  <CAS Number> (2,115)
617-05-0

$$$$
S3994 Methyl Cholate.cdx
csChFnd80/10101813032D

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.0724    2.8136    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2790    3.5126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8547    3.5126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0724    1.4039    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2790    4.9221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6154    3.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    2.8136    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8547    4.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    0.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2790    0.6992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 22  1  0  0  0  0
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M  END
>  <Mol_ID> (2,116)
2116

>  <Formula> (2,116)
C25H42O5

>  <MolWeight> (2,116)
422.59798

>  <Item Name> (2,116)
Methyl Cholate

>  <Catalog Number> (2,116)
S3994

>  <Synonyms> (2,116)
Cholic acid methyl ester

>  <Target> (2,116)
Others

>  <Form> (2,116)
free base

>  <URL> (2,116)
http://www.selleckchem.com/products/methyl-cholate.html

>  <CAS Number> (2,116)
1448-36-8

$$$$
S3995 Guaiazulene.cdx
csChFnd80/10101813032D

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  1  4  2  0  0  0  0
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  4  9  1  0  0  0  0
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  7 13  1  0  0  0  0
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M  END
>  <Mol_ID> (2,117)
2117

>  <Formula> (2,117)
C15H18

>  <MolWeight> (2,117)
198.30342

>  <Item Name> (2,117)
Guaiazulene

>  <Catalog Number> (2,117)
S3995

>  <Synonyms> (2,117)
azulon, Vetivazulen

>  <Target> (2,117)
Others

>  <Form> (2,117)
free base

>  <URL> (2,117)
http://www.selleckchem.com/products/guaiazulene.html

>  <CAS Number> (2,117)
489-84-9

$$$$
S3996 Thioctic acid.cdx
csChFnd80/10101813032D

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    3.4206    2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
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  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (2,118)
2118

>  <Formula> (2,118)
C8H14O2S2

>  <MolWeight> (2,118)
206.32556

>  <Item Name> (2,118)
Thioctic acid

>  <Catalog Number> (2,118)
S3996

>  <Synonyms> (2,118)
DL-¦Á-Lipoic Acid

>  <Target> (2,118)
Others

>  <Form> (2,118)
free base

>  <URL> (2,118)
http://www.selleckchem.com/products/thioctic-acid.html

>  <CAS Number> (2,118)
1077-28-7

$$$$
S3997 Oxaceprol.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.6218    2.9090    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.2046    4.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9496    2.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4894    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  6  0  0  0
M  END
>  <Mol_ID> (2,119)
2119

>  <Formula> (2,119)
C7H11NO4

>  <MolWeight> (2,119)
173.16654

>  <Item Name> (2,119)
Oxaceprol

>  <Catalog Number> (2,119)
S3997

>  <Synonyms> (2,119)
N-acetyl-L-hydroxyproline

>  <Target> (2,119)
Others

>  <Form> (2,119)
free base

>  <URL> (2,119)
http://www.selleckchem.com/products/oxaceprol.html

>  <CAS Number> (2,119)
33996-33-7

$$$$
S3998 Lipoic acid.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.5710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    1.5306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.0999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0694    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2777    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0653    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2777    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (2,120)
2120

>  <Formula> (2,120)
C8H14O2S2

>  <MolWeight> (2,120)
206.32556

>  <Item Name> (2,120)
(+)-¦Á-Lipoic acid

>  <Catalog Number> (2,120)
S3998

>  <Synonyms> (2,120)
(R)-(+)-¦Á-Lipoic acid, ¦Á-Lipoic acid, Alpha-Lipoic acid

>  <Target> (2,120)
Others

>  <Form> (2,120)
free base

>  <URL> (2,120)
http://www.selleckchem.com/products/alpha-lipoic-acid.html

>  <CAS Number> (2,120)
1200-22-2

$$$$
S3999 ¦Á-santonin.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8068    2.7493    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6254    3.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4038    2.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0233    4.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 18  2  0  0  0  0
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M  END
>  <Mol_ID> (2,121)
2121

>  <Formula> (2,121)
C15H18O3

>  <MolWeight> (2,121)
246.30162

>  <Item Name> (2,121)
¦Á-santonin

>  <Catalog Number> (2,121)
S3999

>  <Synonyms> (2,121)
N/A

>  <Target> (2,121)
Others

>  <Form> (2,121)
free base

>  <URL> (2,121)
http://www.selleckchem.com/products/alpha-santonin.html

>  <CAS Number> (2,121)
481-06-1

$$$$
S4812 Ceftizoxime.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,122)
2122

>  <Formula> (2,122)
C13H13N5O5S2

>  <MolWeight> (2,122)
383.40282

>  <Item Name> (2,122)
Ceftizoxime

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S4812

>  <Synonyms> (2,122)
N/A

>  <Target> (2,122)
Others

>  <Form> (2,122)
free base

>  <URL> (2,122)
http://www.selleckchem.com/products/ceftizoxime.html

>  <CAS Number> (2,122)
68401-81-0

$$$$
S4817 Atenolol.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,123)
2123

>  <Formula> (2,123)
C14H22N2O3

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>  <Item Name> (2,123)
Atenolol

>  <Catalog Number> (2,123)
S4817

>  <Synonyms> (2,123)
Tenormin, Normiten, Blokium

>  <Target> (2,123)
¦Â1 receptor,¦Â2 receptor

>  <Form> (2,123)
free base

>  <URL> (2,123)
http://www.selleckchem.com/products/atenolol.html

>  <CAS Number> (2,123)
29122-68-7

$$$$
S4838 Acotiamide hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,124)
2124

>  <Formula> (2,124)
C21H37ClN4O8S

>  <MolWeight> (2,124)
541.05848

>  <Item Name> (2,124)
Acotiamide hydrochloride

>  <Catalog Number> (2,124)
S4838

>  <Synonyms> (2,124)
YM-443 HCl, Z-338 HCl

>  <Target> (2,124)
acetylcholinesterase

>  <Form> (2,124)
hydrochloride trihydrate

>  <URL> (2,124)
http://www.selleckchem.com/products/acotiamide-hydrochloride.html

>  <CAS Number> (2,124)
773092-05-0

$$$$
S4854 Bedaquiline fumarate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,125)
2125

>  <Formula> (2,125)
C36H35BrN2O6

>  <MolWeight> (2,125)
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>  <Item Name> (2,125)
Bedaquiline fumarate

>  <Catalog Number> (2,125)
S4854

>  <Synonyms> (2,125)
TMC-207

>  <Target> (2,125)
Antifection

>  <Form> (2,125)
fumarate

>  <URL> (2,125)
http://www.selleckchem.com/products/bedaquiline-fumarate.html

>  <CAS Number> (2,125)
845533-86-0

$$$$
S4927 Cyclen.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,126)
2126

>  <Formula> (2,126)
C8H20N4

>  <MolWeight> (2,126)
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>  <Item Name> (2,126)
Cyclen

>  <Catalog Number> (2,126)
S4927

>  <Synonyms> (2,126)
1,4,7,10-tetraazacyclododecane

>  <Target> (2,126)
Others

>  <Form> (2,126)
free base

>  <URL> (2,126)
http://www.selleckchem.com/products/cyclen.html

>  <CAS Number> (2,126)
294-90-6

$$$$
S4928 Brivaracetam.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,127)
2127

>  <Formula> (2,127)
C11H20N2O2

>  <MolWeight> (2,127)
212.2887

>  <Item Name> (2,127)
Brivaracetam

>  <Catalog Number> (2,127)
S4928

>  <Synonyms> (2,127)
UCB34714

>  <Target> (2,127)
Others

>  <Form> (2,127)
free base

>  <URL> (2,127)
http://www.selleckchem.com/products/brivaracetam.html

>  <CAS Number> (2,127)
357336-20-0

$$$$
S4935 Asunaprevir.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,128)
2128

>  <Formula> (2,128)
C35H46ClN5O9S

>  <MolWeight> (2,128)
748.28584

>  <Item Name> (2,128)
Asunaprevir

>  <Catalog Number> (2,128)
S4935

>  <Synonyms> (2,128)
BMS-650032

>  <Target> (2,128)
hepatitis C virus enzyme serine protease NS

>  <Form> (2,128)
free base

>  <URL> (2,128)
http://www.selleckchem.com/products/asunaprevir.html

>  <CAS Number> (2,128)
630420-16-5

$$$$
S5007 Delamanid.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,129)
2129

>  <Formula> (2,129)
C25H25F3N4O6

>  <MolWeight> (2,129)
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>  <Item Name> (2,129)
Delamanid

>  <Catalog Number> (2,129)
S5007

>  <Synonyms> (2,129)
OPC-67683

>  <Target> (2,129)
Others

>  <Form> (2,129)
free base

>  <URL> (2,129)
http://www.selleckchem.com/products/delamanid.html

>  <CAS Number> (2,129)
681492-22-8

$$$$
S5015 Simeprevir.cdx
csChFnd80/10101813032D

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    8.5534    4.6643    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    4.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4208    2.7025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7901    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4901    3.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3596    1.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7519    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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  4 16  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  7 19  1  1  0  0  0
  5 22  2  0  0  0  0
  2 23  2  0  0  0  0
  1 24  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 26 35  2  0  0  0  0
 30 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 36 40  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 39 41  1  0  0  0  0
 27 37  1  0  0  0  0
 34 44  1  0  0  0  0
 45 46  1  0  0  0  0
 33 45  1  0  0  0  0
 25 29  1  0  0  0  0
 17 25  1  6  0  0  0
 47 48  2  0  0  0  0
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 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 50 52  1  0  0  0  0
 47 50  1  0  0  0  0
 21 47  1  0  0  0  0
  3 53  1  1  0  0  0
  8 54  1  6  0  0  0
  4 55  1  6  0  0  0
M  END
>  <Mol_ID> (2,130)
2130

>  <Formula> (2,130)
C38H47N5O7S2

>  <MolWeight> (2,130)
749.93908

>  <Item Name> (2,130)
TMC-435, TMC-435350

>  <Catalog Number> (2,130)
S5015

>  <Synonyms> (2,130)
TMC-435, TMC-435350

>  <Target> (2,130)
HCV NS3/4A protease

>  <Form> (2,130)
free base

>  <URL> (2,130)
http://www.selleckchem.com/products/simeprevir.html

>  <CAS Number> (2,130)
923604-59-5

$$$$
S3879 kaempferide.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
  8 14  1  0  0  0  0
  8 11  1  0  0  0  0
  9 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,131)
2131

>  <Formula> (2,131)
C16H12O6

>  <MolWeight> (2,131)
300.26288

>  <Item Name> (2,131)
kaempferide

>  <Catalog Number> (2,131)
S3879

>  <Synonyms> (2,131)
4'-Methylkaempferol, 4'-O-Methylkaempferol, Kaempferol 4'-methyl ether

>  <Target> (2,131)
Others

>  <Form> (2,131)
free base

>  <URL> (2,131)
http://selleckchem.com/products/kaempferide.html

>  <CAS Number> (2,131)
491-54-3
491-54-3

$$$$
S4978 Azathramycin.cdx
csChFnd80/10101813032D

 53 55  0  0  0  0  0  0  0  0999 V2000
    9.6836    8.4500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0240    6.3529    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.8966    7.7511    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2370    8.4500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 17  1  1  0  0  0  0
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 27  3  2  0  0  0  0
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 13  7  1  0  0  0  0
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 29 13  1  0  0  0  0
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 42 13  1  0  0  0  0
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 15 22  1  1  0  0  0
 16 15  1  0  0  0  0
 18 15  1  0  0  0  0
 28 17  1  0  0  0  0
 23 18  1  0  0  0  0
 19 43  1  6  0  0  0
 20 23  1  0  0  0  0
 20 36  1  1  0  0  0
 21 33  1  0  0  0  0
 25 21  1  0  0  0  0
 23 44  1  6  0  0  0
 24 28  1  0  0  0  0
 25 47  1  1  0  0  0
 45 26  1  0  0  0  0
 46 26  1  0  0  0  0
 28 48  1  6  0  0  0
 39 29  1  0  0  0  0
 33 39  1  0  0  0  0
 49 35  1  0  0  0  0
 39 50  1  6  0  0  0
 51 43  1  0  0  0  0
M  END
>  <Mol_ID> (2,132)
2132

>  <Formula> (2,132)
C37H70N2O12

>  <MolWeight> (2,132)
734.9579

>  <Item Name> (2,132)
Azathramycin

>  <Catalog Number> (2,132)
S4978

>  <Synonyms> (2,132)
Azaerythromycin A, Azaerythromycin

>  <Target> (2,132)
Anti-infection

>  <URL> (2,132)
http://selleckchem.com/products/azathramycin.html

>  <CAS Number> (2,132)
76801-85-9

$$$$
S4980 Anamorelin.cdx
csChFnd80/10101813032D

 40 43  0  0  0  0  0  0  0  0999 V2000
   10.4026    3.7122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1617    2.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9902    3.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1002    4.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7198    3.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8020    8.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0451    7.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020    8.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1020    9.7816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4864    8.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3295    5.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0114    3.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,133)
2133

>  <Formula> (2,133)
C31H42N6O3

>  <MolWeight> (2,133)
546.70358

>  <Item Name> (2,133)
Anamorelin

>  <Catalog Number> (2,133)
S4980

>  <Synonyms> (2,133)
ONO-7643, RC-1291, ST-1291

>  <Target> (2,133)
Others

>  <Form> (2,133)
free base

>  <URL> (2,133)
http://selleckchem.com/products/anamorelin.html

>  <CAS Number> (2,133)
249921-19-5

$$$$
S4981 Cyclogalegenol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,134)
2134

>  <Formula> (2,134)
C30H50O5

>  <MolWeight> (2,134)
490.715

>  <Item Name> (2,134)
Cyclogalegenol

>  <Catalog Number> (2,134)
S4981

>  <Synonyms> (2,134)
Astramembrangenin, Cyclosieversigenin

>  <Target> (2,134)
Telomerase

>  <URL> (2,134)
http://selleckchem.com/products/cyclogalegenol.html

>  <CAS Number> (2,134)
78574-94-4

$$$$
S3074 Chlortalidone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,135)
2135

>  <Formula> (2,135)
C14H11ClN2O4S

>  <MolWeight> (2,135)
338.76614

>  <Item Name> (2,135)
Chlorthalidone

>  <Catalog Number> (2,135)
S3074

>  <Synonyms> (2,135)
Chlortalidone

>  <Target> (2,135)
Others

>  <Form> (2,135)
free base

>  <URL> (2,135)
http://selleckchem.com/products/chlorthalidone-chlortalidone.html

>  <CAS Number> (2,135)
77-36-1

$$$$
S3843 Madecassoside.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,136)
2136

>  <Formula> (2,136)
C48H78O20

>  <MolWeight> (2,136)
975.12092

>  <Item Name> (2,136)
Madecassoside

>  <Catalog Number> (2,136)
S3843

>  <Synonyms> (2,136)
Asiaticoside A

>  <Target> (2,136)
Others

>  <Form> (2,136)
free base
free base
free bas

>  <URL> (2,136)
http://selleckchem.com/products/madecassoside.html

>  <CAS Number> (2,136)
34540-22-2

$$$$
S4867 Propacetamol hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,137)
2137

>  <Formula> (2,137)
C14H21ClN2O3

>  <MolWeight> (2,137)
300.78114

>  <Item Name> (2,137)
Propacetamol hydrochloride

>  <Catalog Number> (2,137)
S4867

>  <Synonyms> (2,137)
N/A

>  <Target> (2,137)
Others

>  <Form> (2,137)
hydrochloride 

>  <URL> (2,137)
http://selleckchem.com/products/propacetamol-hydrochloride.html

>  <CAS Number> (2,137)
66532-86-3

$$$$
S4896 Elagolix Sodium.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,138)
2138

>  <Formula> (2,138)
C32H29F5N3NaO5

>  <MolWeight> (2,138)
653.571546

>  <Item Name> (2,138)
Elagolix Sodium

>  <Catalog Number> (2,138)
S4896

>  <Synonyms> (2,138)
NBI-56418, ABT-620

>  <Target> (2,138)
Estrogen/progestogen Receptor

>  <URL> (2,138)
http://selleckchem.com/products/elagolix-sodium.html

>  <CAS Number> (2,138)
832720-36-2

$$$$
S4985 Dimetghyl4-Hydroxyisophthalate.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.4336    2.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,139)
2139

>  <Formula> (2,139)
C10H10O5

>  <MolWeight> (2,139)
210.1834

>  <Item Name> (2,139)
Dimetghyl 4-Hydroxyisophthalate

>  <Catalog Number> (2,139)
S4985

>  <Synonyms> (2,139)
4-Hydroxyisophthalic acid dimethyl ester

>  <Target> (2,139)
Others

>  <Form> (2,139)
free base

>  <URL> (2,139)
http://selleckchem.com/products/dimetghyl4-hydroxyisophthalate.html

>  <CAS Number> (2,139)
5985-24-0

$$$$
S4988 Tiamulin fumarate.cdx
csChFnd80/10101813032D

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   11.7897    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3039    4.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3585    3.1784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3066    4.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0627    2.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0258    7.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  8  1  0  0  0  0
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 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
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 13 14  1  0  0  0  0
 10 13  1  0  0  0  0
 21 22  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 21 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 21 31  1  0  0  0  0
 22 29  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 21 32  1  6  0  0  0
 23 34  1  6  0  0  0
 29 35  2  0  0  0  0
 23 36  1  0  0  0  0
 26 37  1  1  0  0  0
 28 38  1  1  0  0  0
 27 39  1  6  0  0  0
 40 41  2  0  0  0  0
 26 40  1  0  0  0  0
 24 12  1  1  0  0  0
 34 42  1  0  0  0  0
M  END
>  <Mol_ID> (2,140)
2140

>  <Formula> (2,140)
C32H51NO8S

>  <MolWeight> (2,140)
609.81424

>  <Item Name> (2,140)
Tiamulin fumarate

>  <Catalog Number> (2,140)
S4988

>  <Synonyms> (2,140)
N/A

>  <Target> (2,140)
Others

>  <Form> (2,140)
fumarate

>  <URL> (2,140)
http://selleckchem.com/products/tiamulin-fumarate.html

>  <CAS Number> (2,140)
55297-96-6

$$$$
S4989 Aminooxyacetic acid hemihydrochloride.cdx
csChFnd80/10101813032D

  7  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.5084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3506    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
A    7
?0.5HCl?
M  END
>  <Mol_ID> (2,141)
2141

>  <Formula> (2,141)
C2H5NO3R

>  <MolWeight> (2,141)
91.066

>  <Item Name> (2,141)
AOA hemihydrochloride

>  <Catalog Number> (2,141)
S4989

>  <Synonyms> (2,141)
Carboxymethoxylamine hemihydrochloride, AOAA hemihydrochloride, AOA hemihydrochloride

>  <Target> (2,141)
Transferase

>  <Form> (2,141)
hemihydrochloride

>  <URL> (2,141)
http://selleckchem.com/products/aminooxyacetic-acid-hemihydrochloride.html

>  <CAS Number> (2,141)
2921-14-4

$$$$
S4990 TBHQ.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8386    1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261    1.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5424    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    0.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1423    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    3.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    1.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    3.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8208    3.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    3.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,142)
2142

>  <Formula> (2,142)
C10H14O2

>  <MolWeight> (2,142)
166.21696

>  <Item Name> (2,142)
TBHQ

>  <Catalog Number> (2,142)
S4990

>  <Synonyms> (2,142)
Tert-butylhydroquinone

>  <Target> (2,142)
Nrf2

>  <Form> (2,142)
free base

>  <URL> (2,142)
http://selleckchem.com/products/tbhq.html

>  <CAS Number> (2,142)
1948-33-0

$$$$
S5023 Nadolol.cdx
csChFnd80/10101813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.4557    5.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4557    7.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    5.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6778    5.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6778    8.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    8.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1337    5.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6833    2.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  1  0  0  0
  9 10  1  0  0  0  0
 10 14  1  1  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,143)
2143

>  <Formula> (2,143)
C17H27NO4

>  <MolWeight> (2,143)
309.40058

>  <Item Name> (2,143)
Nadolol

>  <Catalog Number> (2,143)
S5023

>  <Synonyms> (2,143)
Corgard, Solgol, Anabet

>  <Target> (2,143)
Androgen Receptor

>  <Form> (2,143)
free base

>  <URL> (2,143)
http://selleckchem.com/products/nadolol.html

>  <CAS Number> (2,143)
42200-33-9

$$$$
S3776 Sophoricoside.cdx
csChFnd80/10101813032D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6274    2.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    4.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    4.8849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    4.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0362    2.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    0.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0340    4.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2487    2.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4543    2.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2510    0.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6639    2.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5054    0.7321    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3496    2.8089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8848    2.8349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5170    2.1165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7177    0.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3496    4.2089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7294    2.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9350    0.7350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  1  0  0  0
 24 27  1  0  0  0  0
 24 28  1  6  0  0  0
 25 29  1  6  0  0  0
 25 27  1  0  0  0  0
 27 30  1  1  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,144)
2144

>  <Formula> (2,144)
C21H20O10

>  <MolWeight> (2,144)
432.3775

>  <Item Name> (2,144)
Sophoricoside

>  <Catalog Number> (2,144)
S3776

>  <Synonyms> (2,144)
N/A

>  <Target> (2,144)
Immunology & Inflammation related

>  <URL> (2,144)
http://selleckchem.com/products/sophoricoside.html

>  <CAS Number> (2,144)
152-95-4

$$$$
S4834 Propantheline bromide.cdx
csChFnd80/10101813032D

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.6285    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4028    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8353    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6285    4.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4028    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8353    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146    4.9016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0516    7.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0516    8.4008    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6515    8.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4515    8.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
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  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
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  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
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 13 17  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,145)
2145

>  <Formula> (2,145)
C23H30BrNO3

>  <MolWeight> (2,145)
448.3932

>  <Item Name> (2,145)
Propantheline bromide

>  <Catalog Number> (2,145)
S4834

>  <Synonyms> (2,145)
Pro-Banthine, Neometantyl, Neopepulsan

>  <Target> (2,145)
AChR

>  <Form> (2,145)
bromide 

>  <URL> (2,145)
http://selleckchem.com/products/propantheline-bromide.html

>  <CAS Number> (2,145)
50-34-0

$$$$
S4877 Eperisone hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,146)
2146

>  <Formula> (2,146)
C17H26ClNO

>  <MolWeight> (2,146)
295.84744

>  <Item Name> (2,146)
Eperisone hydrochloride

>  <Catalog Number> (2,146)
S4877

>  <Synonyms> (2,146)
N/A

>  <Target> (2,146)
Others

>  <Form> (2,146)
hydrochloride 

>  <URL> (2,146)
http://selleckchem.com/products/eperisone-hydrochloride.html

>  <CAS Number> (2,146)
56839-43-1

$$$$
S4878 Neticonazole Hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,147)
2147

>  <Formula> (2,147)
C17H23ClN2OS

>  <MolWeight> (2,147)
338.89532

>  <Item Name> (2,147)
Neticonazole Hydrochloride

>  <Catalog Number> (2,147)
S4878

>  <Synonyms> (2,147)
N/A

>  <Target> (2,147)
Anti-infection

>  <Form> (2,147)
hydrochloride 

>  <URL> (2,147)
http://selleckchem.com/products/neticonazole-hydrochloride.html

>  <CAS Number> (2,147)
130773-02-3

$$$$
S4991 Valpromide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,148)
2148

>  <Formula> (2,148)
C8H17NO

>  <MolWeight> (2,148)
143.22668

>  <Item Name> (2,148)
Valpromide

>  <Catalog Number> (2,148)
S4991

>  <Synonyms> (2,148)
Depamide, Dipropylacetamide, 2-propylpentanamide

>  <Target> (2,148)
Others

>  <Form> (2,148)
free base

>  <URL> (2,148)
http://selleckchem.com/products/valpromide.html

>  <CAS Number> (2,148)
2430-27-5

$$$$
S4994 Methylcobalamin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,149)
2149

>  <Formula> (2,149)
C63H91CoN13O14P

>  <MolWeight> (2,149)
1344.382301

>  <Item Name> (2,149)
Methylcobalamin

>  <Catalog Number> (2,149)
S4994

>  <Synonyms> (2,149)
Mecobalamin, Vancomin, Methycobal, Cobametin

>  <Target> (2,149)
Vitamin

>  <Form> (2,149)
inner salt

>  <URL> (2,149)
http://selleckchem.com/products/methylcobalamin.html

>  <CAS Number> (2,149)
13422-55-4

$$$$
S4836 Nilutamide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,150)
2150

>  <Formula> (2,150)
C12H10F3N3O4

>  <MolWeight> (2,150)
317.2207096

>  <Item Name> (2,150)
Nilutamide

>  <Catalog Number> (2,150)
S4836

>  <Synonyms> (2,150)
RU23908

>  <Target> (2,150)
Androgen Receptor

>  <URL> (2,150)
http://selleckchem.com/products/nilutamide.html

>  <CAS Number> (2,150)
63612-50-0

$$$$
S4837 Ibudilast.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,151)
2151

>  <Formula> (2,151)
C14H18N2O

>  <MolWeight> (2,151)
230.30552

>  <Item Name> (2,151)
Ibudilast

>  <Catalog Number> (2,151)
S4837

>  <Synonyms> (2,151)
KC-404, AV411, MN166

>  <Target> (2,151)
PDE

>  <Form> (2,151)
free base

>  <URL> (2,151)
http://selleckchem.com/products/Ibudilast.html

>  <CAS Number> (2,151)
50847-11-5

$$$$
S4848 Dalbavancin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,152)
2152

>  <Formula> (2,152)
C88H100Cl2N10O28

>  <MolWeight> (2,152)
1816.6918

>  <Item Name> (2,152)
Dalbavancin

>  <Catalog Number> (2,152)
S4848

>  <Synonyms> (2,152)
zeven

>  <Target> (2,152)
Anti-infection

>  <Form> (2,152)
free base

>  <URL> (2,152)
http://selleckchem.com/products/dalbavancin.html

>  <CAS Number> (2,152)
171500-79-1

$$$$
S4852 Gadopentetate Dimeglumine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,153)
2153

>  <Formula> (2,153)
C28H54GdN5O20

>  <MolWeight> (2,153)
937.99986

>  <Item Name> (2,153)
Gadopentetate Dimeglumine

>  <Catalog Number> (2,153)
S4852

>  <Synonyms> (2,153)
Gadopentetic acid dimeglumine, Gd-DTPA, Meglumine gadopentetate

>  <Target> (2,153)
Others

>  <Form> (2,153)
dimeglumine salt

>  <URL> (2,153)
http://selleckchem.com/products/gadopentetate-dimeglumine.html

>  <CAS Number> (2,153)
86050-77-3

$$$$
S4856 Iproniazid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,154)
2154

>  <Formula> (2,154)
C9H13N3O

>  <MolWeight> (2,154)
179.21902

>  <Item Name> (2,154)
Iproniazid

>  <Catalog Number> (2,154)
S4856

>  <Synonyms> (2,154)
Marsilid, Iprazid

>  <Target> (2,154)
MAO

>  <Form> (2,154)
free base

>  <URL> (2,154)
http://selleckchem.com/products/Iproniazid.html

>  <CAS Number> (2,154)
54-92-2

$$$$
S4931 Propiverine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,155)
2155

>  <Formula> (2,155)
C23H30ClNO3

>  <MolWeight> (2,155)
403.9422

>  <Item Name> (2,155)
Propiverine hydrochloride

>  <Catalog Number> (2,155)
S4931

>  <Synonyms> (2,155)
N/A

>  <Target> (2,155)
Others

>  <URL> (2,155)
http://selleckchem.com/products/propiverine-hydrochloride.html

>  <CAS Number> (2,155)
54556-98-8

$$$$
S4932 Proxyphylline.cdx
csChFnd80/10101813032D

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    7.0888    6.9536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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M  END
>  <Mol_ID> (2,156)
2156

>  <Formula> (2,156)
C10H14N4O3

>  <MolWeight> (2,156)
238.24316

>  <Item Name> (2,156)
Proxyphylline

>  <Catalog Number> (2,156)
S4932

>  <Synonyms> (2,156)
Monophylline, Spasmolysin

>  <Target> (2,156)
Adenosine Receptor

>  <Form> (2,156)
free base

>  <URL> (2,156)
http://selleckchem.com/products/proxyphylline.html

>  <CAS Number> (2,156)
603-00-9

$$$$
S5006 Teprenone.cdx
csChFnd80/10101813032D

 24 23  0  0  0  0  0  0  0  0999 V2000
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,157)
2157

>  <Formula> (2,157)
C23H38O

>  <MolWeight> (2,157)
330.54722

>  <Item Name> (2,157)
Teprenone

>  <Catalog Number> (2,157)
S5006

>  <Synonyms> (2,157)
geranylgeranylacetone, Tetraprenylacetone

>  <Target> (2,157)
Others

>  <URL> (2,157)
http://selleckchem.com/products/teprenone.html

>  <CAS Number> (2,157)
6809-52-5

$$$$
S5012 Octenidine Dihydrochloride.cdx
csChFnd80/10101813032D

 42 41  0  0  0  0  0  0  0  0999 V2000
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   11.4079    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4079    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0452    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2577    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9830    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4701    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,158)
2158

>  <Formula> (2,158)
C36H64Cl2N4

>  <MolWeight> (2,158)
623.82616

>  <Item Name> (2,158)
Octenidine Dihydrochloride

>  <Catalog Number> (2,158)
S5012

>  <Synonyms> (2,158)
N/A

>  <Target> (2,158)
Anti-infection

>  <URL> (2,158)
http://selleckchem.com/products/octenidine-ihydrochloride.html

>  <CAS Number> (2,158)
70775-75-6

$$$$
S5013 Ioversol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,159)
2159

>  <Formula> (2,159)
C18H24I3N3O9

>  <MolWeight> (2,159)
807.11127

>  <Item Name> (2,159)
Ioversol

>  <Catalog Number> (2,159)
S5013

>  <Synonyms> (2,159)
N/A

>  <Target> (2,159)
Others

>  <URL> (2,159)
http://selleckchem.com/products/lversol.html

>  <CAS Number> (2,159)
87771-40-2

$$$$
S5014 Crisaborole (AN2728).cdx
csChFnd80/10101813032D

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  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,160)
2160

>  <Formula> (2,160)
C14H10BNO3

>  <MolWeight> (2,160)
251.0451

>  <Item Name> (2,160)
Crisaborole (AN2728)

>  <Catalog Number> (2,160)
S5014

>  <Synonyms> (2,160)
N/A

>  <Target> (2,160)
PDE

>  <Form> (2,160)
free base

>  <URL> (2,160)
http://selleckchem.com/products/crisaborole-an2728.html

>  <CAS Number> (2,160)
906673-24-3

$$$$
S4849 Levocetirizine Dihydrochloride.cdx
csChFnd80/10101813032D

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   22.1836    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9712    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1836    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3960    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7587    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.3339    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1214    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1214    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0593    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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  5  6  1  0  0  0  0
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  7  8  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (2,161)
2161

>  <Formula> (2,161)
C21H27Cl3N2O3

>  <MolWeight> (2,161)
461.80968

>  <Item Name> (2,161)
Levocetirizine Dihydrochloride

>  <Catalog Number> (2,161)
S4849

>  <Synonyms> (2,161)
Xyzal Dihydrochloride, (-)-Cetirizine Dihydrochloride

>  <Target> (2,161)
Histamine Receptor

>  <Form> (2,161)
dihydrochloride 

>  <URL> (2,161)
http://selleckchem.com/products/levocetirizine-dihydrochloride.html

>  <CAS Number> (2,161)
130018-87-0

$$$$
S4858 Tryptophol.cdx
csChFnd80/10101813032D

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    2.4280    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526    2.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    2.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2095    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5770    1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1790    3.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0017    0.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5471    4.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  5  7  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (2,162)
2162

>  <Formula> (2,162)
C10H11NO

>  <MolWeight> (2,162)
161.20044

>  <Item Name> (2,162)
Tryptophol

>  <Catalog Number> (2,162)
S4858

>  <Synonyms> (2,162)
Indole-3-ethanol

>  <Target> (2,162)
Others

>  <URL> (2,162)
http://selleckchem.com/products/tryptophol.html

>  <CAS Number> (2,162)
526-55-6

$$$$
S4859 TriacetonaMine.cdx
csChFnd80/10101813032D

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    3.8036    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  7 10  1  0  0  0  0
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M  END
>  <Mol_ID> (2,163)
2163

>  <Formula> (2,163)
C9H17NO

>  <MolWeight> (2,163)
155.23738

>  <Item Name> (2,163)
TriacetonaMine

>  <Catalog Number> (2,163)
S4859

>  <Synonyms> (2,163)
2,2,6,6-Tetramethyl-4-piperidinone; tempidon; tmpone; Odoratine; Vincubine

>  <Target> (2,163)
Others

>  <Form> (2,163)
free base

>  <URL> (2,163)
http://selleckchem.com/products/triacetonamine.html

>  <CAS Number> (2,163)
826-36-8

$$$$
S4863 4-Hydroxyphenylacetic acid.cdx
csChFnd80/10101813032D

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    3.6513    0.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,164)
2164

>  <Formula> (2,164)
C8H8O3

>  <MolWeight> (2,164)
152.14732

>  <Item Name> (2,164)
4-Hydroxyphenylacetic acid

>  <Catalog Number> (2,164)
S4863

>  <Synonyms> (2,164)
p-Hydroxyphenylacetic acid, parahydroxy phenylacetate

>  <Target> (2,164)
Others

>  <Form> (2,164)
free base

>  <URL> (2,164)
http://selleckchem.com/products/4-hydroxyphenylacetic-acid.html

>  <CAS Number> (2,164)
156-38-7

$$$$
S4864 2-Furoic acid.cdx
csChFnd80/10101813032D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.1625    1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3302    2.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2604    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060    0.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,165)
2165

>  <Formula> (2,165)
C5H4O3

>  <MolWeight> (2,165)
112.08346

>  <Item Name> (2,165)
2-Furoic acid

>  <Catalog Number> (2,165)
S4864

>  <Synonyms> (2,165)
2-Furancarboxylic acid, Pyromucic acid, 2-Carboxyfuran, ¦Á-furancarboxylic acid, ¦Á-furoic acid

>  <Target> (2,165)
Others

>  <Form> (2,165)
free base

>  <URL> (2,165)
http://selleckchem.com/products/2-furoic-acid.html

>  <CAS Number> (2,165)
88-14-2

$$$$
S4868 Xanthinol Nicotinate.cdx
csChFnd80/10101813032D

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   10.1826    9.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5401   10.3663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6655    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9655    1.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9655    3.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0655    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    1.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    3.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7655    1.2975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7655    3.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8655    2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 11  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
 27 31  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,166)
2166

>  <Formula> (2,166)
C19H26N6O6

>  <MolWeight> (2,166)
434.44634

>  <Item Name> (2,166)
Xanthinol Nicotinate

>  <Catalog Number> (2,166)
S4868

>  <Synonyms> (2,166)
Complamin, Angioamin

>  <Target> (2,166)
Others

>  <URL> (2,166)
http://selleckchem.com/products/xanthinol-nicotinate.html

>  <CAS Number> (2,166)
437-74-1

$$$$
S4869 Sulfamethoxazole sodium.cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    1.4077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    1.1166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    2.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    3.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    2.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  2  0  0  0  0
 17 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,167)
2167

>  <Formula> (2,167)
C10H10N3NaO3S

>  <MolWeight> (2,167)
275.25947

>  <Item Name> (2,167)
Sulfamethoxazole sodium

>  <Catalog Number> (2,167)
S4869

>  <Synonyms> (2,167)
N/A

>  <Target> (2,167)
Anti-infection

>  <URL> (2,167)
http://selleckchem.com/products/sulfamethoxazole-sodium.html

>  <CAS Number> (2,167)
4563-84-2

$$$$
S4876 Robenidine Hydrochoride.cdx
csChFnd80/10101813032D

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.6176    3.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176    4.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790    2.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8420    2.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790    5.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1894    3.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    3.1173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1894    4.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2559    2.4387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1885    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4735    3.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7189    2.4387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4735    4.5518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9712    3.1173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1888    2.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4342    3.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4342    4.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6587    2.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6236    5.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8831    3.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8831    4.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0657    5.2236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2538    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,168)
2168

>  <Formula> (2,168)
C15H14Cl3N5

>  <MolWeight> (2,168)
370.66416

>  <Item Name> (2,168)
Robenidine Hydrochoride

>  <Catalog Number> (2,168)
S4876

>  <Synonyms> (2,168)
Dexium, Nugatex, Rasexinium, Toraxine

>  <Target> (2,168)
Anti-infection

>  <Form> (2,168)
hydrochloride 

>  <URL> (2,168)
http://selleckchem.com/products/robenidine-hydrochoride.html

>  <CAS Number> (2,168)
25875-50-7

$$$$
S4881 Calcium Dobesilate.cdx
csChFnd80/10101813032D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4299    4.2391    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    2.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312    4.2391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    5.6391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8312    4.2391    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6354    2.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    2.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9807    4.3344    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
A   13
?0.5Ca2+?
M  END
>  <Mol_ID> (2,169)
2169

>  <Formula> (2,169)
C6H5O5RS-

>  <MolWeight> (2,169)
189.1659

>  <Item Name> (2,169)
Calcium Dobesilate

>  <Catalog Number> (2,169)
S4881

>  <Synonyms> (2,169)
calcium dihydroxy-2,5-benzenesulfonate

>  <Target> (2,169)
Others

>  <URL> (2,169)
http://selleckchem.com/products/calcium-dobesilate.html

>  <CAS Number> (2,169)
20123-80-2

$$$$
S4892 Phenibut.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2237    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310    4.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2237    4.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295    4.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,170)
2170

>  <Formula> (2,170)
C10H13NO2

>  <MolWeight> (2,170)
179.21572

>  <Item Name> (2,170)
Phenibut

>  <Catalog Number> (2,170)
S4892

>  <Synonyms> (2,170)
Aminophenylbutyric acid, Fenibut, Fenigam, Phenigam, Phenybut, PhGABA, ¦Â-Phenyl-¦Ã-aminobutyric acid

>  <Target> (2,170)
GABA Receptor

>  <Form> (2,170)
free base

>  <URL> (2,170)
http://selleckchem.com/products/phenibut.html

>  <CAS Number> (2,170)
1078-21-3

$$$$
S4940 Maltol.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4239    2.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476    2.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4341    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    2.7806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0220    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    0.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6465    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,171)
2171

>  <Formula> (2,171)
C6H6O3

>  <MolWeight> (2,171)
126.11004

>  <Item Name> (2,171)
Maltol

>  <Catalog Number> (2,171)
S4940

>  <Synonyms> (2,171)
Larixinic acid, Palatone, Veltol

>  <Target> (2,171)
Others

>  <URL> (2,171)
http://selleckchem.com/products/maltol.html

>  <CAS Number> (2,171)
118-71-8

$$$$
S4943 Isovanillin.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.8325    3.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    2.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6117    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0364    4.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078    3.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0195    5.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6624    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208    1.3706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2529    3.5460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,172)
2172

>  <Formula> (2,172)
C8H8O3

>  <MolWeight> (2,172)
152.14732

>  <Item Name> (2,172)
Isovanillin

>  <Catalog Number> (2,172)
s4943

>  <Synonyms> (2,172)
5-Formylguaiacol, 3-Hydroxy-p-anisaldehyde, 3-Hydroxy-4-methoxybenzaldehyde

>  <Target> (2,172)
Others

>  <Form> (2,172)
free base

>  <URL> (2,172)
http://selleckchem.com/products/lsovanillin.html

>  <CAS Number> (2,172)
621-59-0

$$$$
S4952 Fumaric acid.cdx
csChFnd80/10101813032D

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,173)
2173

>  <Formula> (2,173)
C4H4O4

>  <MolWeight> (2,173)
116.07216

>  <Item Name> (2,173)
Fumaric acid

>  <Catalog Number> (2,173)
S4952

>  <Synonyms> (2,173)
2-Butenedioic acid, Trans-Butenedioic acid, Allomaleic acid, Boletic acid, Donitic acid, Lichenic aci

>  <Target> (2,173)
Others

>  <Form> (2,173)
free base

>  <URL> (2,173)
http://selleckchem.com/products/fumaric-acid.html

>  <CAS Number> (2,173)
110-17-8

$$$$
S4953 Usnic acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,174)
2174

>  <Formula> (2,174)
C18H16O7

>  <MolWeight> (2,174)
344.31544

>  <Item Name> (2,174)
Usnic acid

>  <Catalog Number> (2,174)
S4953

>  <Synonyms> (2,174)
Usniacin

>  <Target> (2,174)
Others

>  <Form> (2,174)
free base

>  <URL> (2,174)
http://selleckchem.com/products/usnic-acid.html

>  <CAS Number> (2,174)
125-46-2

$$$$
S4969 Tropine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,175)
2175

>  <Formula> (2,175)
C8H15NO

>  <MolWeight> (2,175)
141.2108

>  <Item Name> (2,175)
Tropine

>  <Catalog Number> (2,175)
S4969

>  <Synonyms> (2,175)
Pseudotropine, 3alpha-Tropanol

>  <Target> (2,175)
Others

>  <Form> (2,175)
free base

>  <URL> (2,175)
http://selleckchem.com/products/tropine.html

>  <CAS Number> (2,175)
120-29-6

$$$$
S2501 Pyrantel pamoate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,176)
2176

>  <Formula> (2,176)
C34H30N2O6S

>  <MolWeight> (2,176)
594.6768

>  <Item Name> (2,176)
Pyrantel Pamoate 

>  <Catalog Number> (2,176)
S2501

>  <Synonyms> (2,176)
Pyrantel Embonate

>  <Target> (2,176)
Anti-infection

>  <Form> (2,176)
salt

>  <URL> (2,176)
http://selleckchem.com/products/Pyrantel-pamoate(Pyrantel-embonate).html

>  <CAS Number> (2,176)
22204-24-6

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,177)
2177

>  <Formula> (2,177)
C32H40O8

>  <MolWeight> (2,177)
552.6552

>  <Item Name> (2,177)
Euphorbiasteroid

>  <Catalog Number> (2,177)
S3832

>  <Synonyms> (2,177)
Euphorbia factor L1

>  <Target> (2,177)
Others

>  <Form> (2,177)
free base

>  <URL> (2,177)
http://selleckchem.com/products/euphorbiasteroid.html

>  <CAS Number> (2,177)
28649-59-4

$$$$
S4815 L-Cysteine HCL.cdx
csChFnd80/10101813032D

  8  6  0  0  0  0  0  0  0  0999 V2000
    2.4142    1.5948    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6264    2.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    2.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    0.2008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8419    1.5948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264    3.6991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5948    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0024    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,178)
2178

>  <Formula> (2,178)
C3H8ClNO2S

>  <MolWeight> (2,178)
157.61912

>  <Item Name> (2,178)
L-Cysteine HCl

>  <Catalog Number> (2,178)
S4815

>  <Synonyms> (2,178)
N/A

>  <Target> (2,178)
Others

>  <Form> (2,178)
hydrochloride 

>  <URL> (2,178)
http://selleckchem.com/products/l-cysteine-hcl.html

>  <CAS Number> (2,178)
52-89-1

$$$$
S4816 Diatrizoate sodium.cdx
csChFnd80/10101813032D

 21 20  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212    6.3392    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,179)
2179

>  <Formula> (2,179)
C11H8I3N2NaO4

>  <MolWeight> (2,179)
635.8954

>  <Item Name> (2,179)
Diatrizoate sodium

>  <Catalog Number> (2,179)
S4816

>  <Synonyms> (2,179)
amidotrizoate sodium, Hypaque sodium, Triombrin

>  <Target> (2,179)
Others

>  <URL> (2,179)
http://selleckchem.com/products/diatrizoate-sodium.html

>  <CAS Number> (2,179)
737-31-5

$$$$
S4819 Saccharin.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4266    1.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    3.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7471    1.2832    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7457    3.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    3.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5721    2.3956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9538    0.5734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1898    4.8691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0014    3.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5  7  1  0  0  0  0
  6 12  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,180)
2180

>  <Formula> (2,180)
C7H5NO3S

>  <MolWeight> (2,180)
183.1845

>  <Item Name> (2,180)
Saccharin

>  <Catalog Number> (2,180)
S4819

>  <Synonyms> (2,180)
Benzoic sulfimide, O-Sulfobenzimide, O-Benzoic sulfimide, Saccharimide

>  <Target> (2,180)
Others

>  <Form> (2,180)
free base

>  <URL> (2,180)
http://selleckchem.com/products/saccharin.html

>  <CAS Number> (2,180)
81-07-2

$$$$
S4830 Maltose.cdx
csChFnd80/10101813032D

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.4892    4.2666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4892    5.6663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958    3.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6903    6.3597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6696    2.0610    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2204    2.1836    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.1608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8970    5.6630    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6903    7.7663    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3888    1.3929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8820    1.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0080    1.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    6.3646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8970    4.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4749    8.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998    8.4646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    2.0537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3233    5.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    7.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611    7.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3233    4.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3380    6.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3092    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
  7 13  1  6  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  1  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  1  0  0  0
 16 21  1  0  0  0  0
 19 22  2  0  0  0  0
  5 23  1  1  0  0  0
 11 24  1  1  0  0  0
M  END
>  <Mol_ID> (2,181)
2181

>  <Formula> (2,181)
C12H22O11

>  <MolWeight> (2,181)
342.29648

>  <Item Name> (2,181)
Maltose

>  <Catalog Number> (2,181)
S4830

>  <Synonyms> (2,181)
maltobiose, malt sugar, Beta-maltose, D-Maltose

>  <Target> (2,181)
Others

>  <Form> (2,181)
free base

>  <URL> (2,181)
http://selleckchem.com/products/maltose.html

>  <CAS Number> (2,181)
 69-79-4

$$$$
S4831 Piperonyl butoxide.cdx
csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
   16.9679    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9679    0.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7533    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2878    2.5422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7582    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3144    0.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1236    1.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5416    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3348    2.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3414    0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1255    2.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1395    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9218    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,182)
2182

>  <Formula> (2,182)
C19H30O5

>  <MolWeight> (2,182)
338.4385

>  <Item Name> (2,182)
Piperonyl butoxide

>  <Catalog Number> (2,182)
S4831

>  <Synonyms> (2,182)
Butacide, Ethanol butoxide, Pyrenone 606

>  <Target> (2,182)
Others

>  <URL> (2,182)
http://selleckchem.com/products/piperonyl-butoxide.html

>  <CAS Number> (2,182)
51-03-6

$$$$
S4832 Tolmetin.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.2409    2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4533    1.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0943    3.5143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9614    1.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6634    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4533    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7264    3.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1327    4.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0281    2.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8976    1.3887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6634    3.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1505    5.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0969    2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8933    4.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7518    5.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0969    3.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1048    6.3783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3185    4.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,183)
2183

>  <Formula> (2,183)
C15H15NO3

>  <MolWeight> (2,183)
257.2845

>  <Item Name> (2,183)
Tolmetin

>  <Catalog Number> (2,183)
S4832

>  <Synonyms> (2,183)
Tolectin

>  <Target> (2,183)
Immunology & Inflammation related

>  <Form> (2,183)
free base

>  <URL> (2,183)
http://selleckchem.com/products/tolmetin.html

>  <CAS Number> (2,183)
26171-23-3

$$$$
S4835 Aceclofenac.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,184)
2184

>  <Formula> (2,184)
C16H13Cl2NO4

>  <MolWeight> (2,184)
354.18472

>  <Item Name> (2,184)
Aceclofenac

>  <Catalog Number> (2,184)
S4835

>  <Synonyms> (2,184)
Preservex, Airtal

>  <Target> (2,184)
Immunology & Inflammation related

>  <Form> (2,184)
free base

>  <URL> (2,184)
http://selleckchem.com/products/aceclofenac.html

>  <CAS Number> (2,184)
89796-99-6

$$$$
S4839 Mosapride.cdx
csChFnd80/10101813032D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.6390    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    3.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    4.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2136    3.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    5.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4041    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2758    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032    4.2041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0647    6.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4883    2.0999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4883    3.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    1.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7003    4.2006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7003    5.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9124    3.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9129    6.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1255    5.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9129    7.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3378    6.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1254    8.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3378    7.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5502    8.4008    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,185)
2185

>  <Formula> (2,185)
C21H25ClFN3O3

>  <MolWeight> (2,185)
421.8929032

>  <Item Name> (2,185)
Mosapride

>  <Catalog Number> (2,185)
S4839

>  <Synonyms> (2,185)
N/A

>  <Target> (2,185)
5-HT Receptor

>  <URL> (2,185)
http://selleckchem.com/products/mosapride.html

>  <CAS Number> (2,185)
112885-41-3

$$$$
S4860 Indole-3-carboxylic acid.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4258    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7576    2.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7561    0.2657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5797    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1911    3.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5557    4.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,186)
2186

>  <Formula> (2,186)
C9H7NO2

>  <MolWeight> (2,186)
161.15738

>  <Item Name> (2,186)
Indole-3-carboxylic acid

>  <Catalog Number> (2,186)
S4860

>  <Synonyms> (2,186)
3-Indoleformic acid, 3-Carboxyindole, ¦Â-Indolylcarboxylic acid, 3-indolecarboxylate, 3-indoleformate

>  <Target> (2,186)
Others

>  <URL> (2,186)
http://selleckchem.com/products/indole-carboxylic-acid.html

>  <CAS Number> (2,186)
771-50-6

$$$$
S4861 Oxindole.cdx
csChFnd80/10101813032D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4520    2.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    0.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7822    2.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2258    2.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7770    0.2613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6015    1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0015    1.3910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,187)
2187

>  <Formula> (2,187)
C8H7NO

>  <MolWeight> (2,187)
133.14728

>  <Item Name> (2,187)
Oxindole

>  <Catalog Number> (2,187)
S4861

>  <Synonyms> (2,187)
2-indolone, 2-Oxindole, Indolin-2-one

>  <Target> (2,187)
Others

>  <Form> (2,187)
free base

>  <URL> (2,187)
http://selleckchem.com/products/oxindole.html

>  <CAS Number> (2,187)
59-48-3

$$$$
S4871 Pyridoxal 5-phosphate monohydrate.cdx
csChFnd80/10101813032D

 18 17  0  0  0  0  0  0  0  0999 V2000
    4.7097    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9222    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7097    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4972    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1346    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9222    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9222    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2848    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1346    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3470    2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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 12 14  1  0  0  0  0
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M  END
>  <Mol_ID> (2,188)
2188

>  <Formula> (2,188)
C8H12NO7P

>  <MolWeight> (2,188)
265.157141

>  <Item Name> (2,188)
Pyridoxal 5-phosphate monohydrate

>  <Catalog Number> (2,188)
S4871

>  <Synonyms> (2,188)
N/A

>  <Target> (2,188)
Vitamin

>  <Form> (2,188)
hydrate 

>  <URL> (2,188)
http://selleckchem.com/products/pyridoxal-phosphate-monohydrate.html

>  <CAS Number> (2,188)
 41468-25-1

$$$$
S4874 Cefazedone.cdx
csChFnd80/10101813032D

 33 36  0  0  0  0  0  0  0  0999 V2000
   10.1414    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1414    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7414    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5663    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5662    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 32  1  0  0  0  0
 28 30  1  0  0  0  0
 30 33  2  0  0  0  0
M  END
>  <Mol_ID> (2,189)
2189

>  <Formula> (2,189)
C18H15Cl2N5O5S3

>  <MolWeight> (2,189)
548.4432

>  <Item Name> (2,189)
Cefazedone

>  <Catalog Number> (2,189)
S4874

>  <Synonyms> (2,189)
Refosporen, Cefazedonum 

>  <Target> (2,189)
Anti-infection

>  <Form> (2,189)
free base

>  <URL> (2,189)
http://selleckchem.com/products/cefazedone.html

>  <CAS Number> (2,189)
56187-47-4

$$$$
S4875 Cephapirin Benzathine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,190)
2190

>  <Formula> (2,190)
C50H54N8O12S4

>  <MolWeight> (2,190)
1087.27016

>  <Item Name> (2,190)
Cephapirin Benzathine

>  <Catalog Number> (2,190)
S4875

>  <Synonyms> (2,190)
N/A

>  <Target> (2,190)
Anti-infection

>  <Form> (2,190)
salt

>  <URL> (2,190)
http://selleckchem.com/products/cephapirin-benzathine.html

>  <CAS Number> (2,190)
97468-37-6

$$$$
S4882 Resorantel.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,191)
2191

>  <Formula> (2,191)
C13H10BrNO3

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>  <Item Name> (2,191)
Resorantel

>  <Catalog Number> (2,191)
S4882

>  <Synonyms> (2,191)
N/A

>  <Target> (2,191)
Anti-infection

>  <Form> (2,191)
free base

>  <URL> (2,191)
http://selleckchem.com/products/resorantel.html

>  <CAS Number> (2,191)
20788-07-2

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/10101813032D

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C10H13N5O

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Trans-Zeatin

>  <Catalog Number> (2,192)
S4884

>  <Synonyms> (2,192)
(E)-Zeatin

>  <Target> (2,192)
Others

>  <URL> (2,192)
http://selleckchem.com/products/trans-zeatin.html

>  <CAS Number> (2,192)
1637-39-4

$$$$
S4885 Taurolidine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,193)
2193

>  <Formula> (2,193)
C7H16N4O4S2

>  <MolWeight> (2,193)
284.35634

>  <Item Name> (2,193)
Taurolidine

>  <Catalog Number> (2,193)
S4885

>  <Synonyms> (2,193)
Taurolin, Tauroline, Tauroflex

>  <Target> (2,193)
Anti-infection

>  <Form> (2,193)
free base

>  <URL> (2,193)
http://selleckchem.com/products/taurolidine.html

>  <CAS Number> (2,193)
19388-87-5

$$$$
S4886 Menbutone.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.0532    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2621    2.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0642    4.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8372    2.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4740    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2550    0.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    4.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2762    4.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4851    4.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6865    2.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0391    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6361    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    6.3030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8956    2.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    4.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    2.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 10  2  0  0  0  0
  9 12  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,194)
2194

>  <Formula> (2,194)
C15H14O4

>  <MolWeight> (2,194)
258.26926

>  <Item Name> (2,194)
Menbutone

>  <Catalog Number> (2,194)
S4886

>  <Synonyms> (2,194)
Genabilin, Naftobil, Genabilic acid

>  <Target> (2,194)
Others

>  <URL> (2,194)
http://selleckchem.com/products/menbutone.html

>  <CAS Number> (2,194)
3562-99-0

$$$$
S4887 Nikethamide.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    4.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,195)
2195

>  <Formula> (2,195)
C10H14N2O

>  <MolWeight> (2,195)
178.23096

>  <Item Name> (2,195)
Nikethamide

>  <Catalog Number> (2,195)
S4887

>  <Synonyms> (2,195)
Corvin, Anacardone

>  <Target> (2,195)
Others

>  <Form> (2,195)
free base

>  <URL> (2,195)
http://selleckchem.com/products/nikethamide.html

>  <CAS Number> (2,195)
59-26-7

$$$$
S4893 Cytosine.cdx
csChFnd80/10101813032D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4245    2.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2009    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473    0.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1781    4.1994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2465    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6710    0.0395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0228    0.6802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,196)
2196

>  <Formula> (2,196)
C4H5N3O

>  <MolWeight> (2,196)
111.102

>  <Item Name> (2,196)
Cytosine

>  <Catalog Number> (2,196)
S4893

>  <Synonyms> (2,196)
4-Amino-2-hydroxypyrimidine, Cytosinimine

>  <Target> (2,196)
Others

>  <Form> (2,196)
free base

>  <URL> (2,196)
http://selleckchem.com/products/cytosine.html

>  <CAS Number> (2,196)
71-30-7

$$$$
S4894 D-Glucurone.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.9968    1.1327    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5966    1.1322    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1637    2.4636    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2961    3.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4289    2.4641    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4642    0.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8196    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7635    2.4631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3314    1.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407    3.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7603    2.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  1  0  0  0
  1  7  1  6  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  6  0  0  0
  5 12  1  0  0  0  0
M  CFW   6 BOND_GSTEREO 4
M  END
>  <Mol_ID> (2,197)
2197

>  <Formula> (2,197)
C6H8O6

>  <MolWeight> (2,197)
176.12412

>  <Item Name> (2,197)
D-Glucurone

>  <Catalog Number> (2,197)
S4894

>  <Synonyms> (2,197)
N/A

>  <Target> (2,197)
Others

>  <Form> (2,197)
free base

>  <URL> (2,197)
http://selleckchem.com/products/d-glucurone.html

>  <CAS Number> (2,197)
32449-92-6

$$$$
S4897 Nortropine Hydrochloride.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.5867    2.4524    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7933    1.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5867    4.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023    2.4210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8867    3.3974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3209    2.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3270    3.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2730    2.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8650    1.2528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423    4.4854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5943    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  6  0  0  0
M  END
>  <Mol_ID> (2,198)
2198

>  <Formula> (2,198)
C7H14ClNO

>  <MolWeight> (2,198)
163.64516

>  <Item Name> (2,198)
Nortropine Hydrochloride

>  <Catalog Number> (2,198)
S4897

>  <Synonyms> (2,198)
Nortropeno Hydrochloride

>  <Target> (2,198)
Others

>  <Form> (2,198)
hydrochloride

>  <URL> (2,198)
http://selleckchem.com/products/nortropine-hydrochloride.html

>  <CAS Number> (2,198)
14383-51-8

$$$$
S4898 Sulfalozine sodium.cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,199)
2199

>  <Formula> (2,199)
C10H9ClN4O2S

>  <MolWeight> (2,199)
284.72206

>  <Item Name> (2,199)
Sulfalozine sodium

>  <Catalog Number> (2,199)
S4898

>  <Synonyms> (2,199)
sulfaclozine sodium, sulfachlopryrazine sodium

>  <Target> (2,199)
Anti-infection

>  <Form> (2,199)
free base

>  <URL> (2,199)
http://selleckchem.com/products/sulfalozine-sodium.html

>  <CAS Number> (2,199)
102-65-8

$$$$
S4899 Sulfogaiacol.cdx
csChFnd80/10101813032D

 14 13  0  0  0  0  0  0  0  0999 V2000
    4.2034    1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5102    2.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5102    0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    1.3967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1178    2.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1136    0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0034    1.3967    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4178    3.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0220    3.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1563    1.3983    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,200)
2200

>  <Formula> (2,200)
C7H7KO5S

>  <MolWeight> (2,200)
242.29078

>  <Item Name> (2,200)
Sulfogaiacol

>  <Catalog Number> (2,200)
S4899

>  <Synonyms> (2,200)
guaiacolsulfonate

>  <Target> (2,200)
Others

>  <URL> (2,200)
http://selleckchem.com/products/sulfogaiacol.html

>  <CAS Number> (2,200)
1321-14-8

$$$$
S4936 Antiarol.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,201)
2201

>  <Formula> (2,201)
C9H12O4

>  <MolWeight> (2,201)
184.18918

>  <Item Name> (2,201)
Antiarol

>  <Catalog Number> (2,201)
S4936

>  <Synonyms> (2,201)
3,4,5-trimethoxyphenol

>  <Target> (2,201)
Others

>  <Form> (2,201)
free base

>  <URL> (2,201)
http://selleckchem.com/products/antiarol.html

>  <CAS Number> (2,201)
642-71-7

$$$$
S4938 Cedrol.cdx
csChFnd80/10101813032D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4888    2.2394    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3996    1.4737    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4888    4.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6422    1.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4230    1.1264    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7234    2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9880    3.5546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7045    2.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9611    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8058    1.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1634    4.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272    2.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2054    3.1735    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4618    4.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5274    3.6422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8007    4.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  6  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 18  1  6  0  0  0
  9 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  6  0  0  0
M  END
>  <Mol_ID> (2,202)
2202

>  <Formula> (2,202)
C15H26O

>  <MolWeight> (2,202)
222.36634

>  <Item Name> (2,202)
Cedrol

>  <Catalog Number> (2,202)
S4938

>  <Synonyms> (2,202)
N/A

>  <Target> (2,202)
P450 (e.g. CYP17)

>  <Form> (2,202)
free base

>  <URL> (2,202)
http://selleckchem.com/products/cedrol.html

>  <CAS Number> (2,202)
77-53-2

$$$$
S4939 cis-Aconitic acid.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.1205    1.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8137    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1068    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068    3.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    4.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7205    1.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8274    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0137    2.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8931    6.0739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9068    3.6491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,203)
2203

>  <Formula> (2,203)
C6H6O6

>  <MolWeight> (2,203)
174.10824

>  <Item Name> (2,203)
cis-Aconitic acid

>  <Catalog Number> (2,203)
S4939

>  <Synonyms> (2,203)
cis-aconitate, Achilleic acid, Citridinic acid, Equisetic acid, Pyrocitric acid

>  <Target> (2,203)
Others

>  <Form> (2,203)
free base

>  <URL> (2,203)
http://selleckchem.com/products/cis-aconitic-acid.html

>  <CAS Number> (2,203)
585-84-2

$$$$
S4942 4-Hydroxy-3,5-dimethoxybenzyl alcohol.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4268    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295    2.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317    0.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    2.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2171    2.8141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8338    2.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    4.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4223    4.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2535    0.6986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,204)
2204

>  <Formula> (2,204)
C9H12O4

>  <MolWeight> (2,204)
184.18918

>  <Item Name> (2,204)
4-Hydroxy-3,5-dimethoxybenzyl alcohol

>  <Catalog Number> (2,204)
S4942

>  <Synonyms> (2,204)
Syringic alcohol, Syringyl alcohol

>  <Target> (2,204)
Anti-infection

>  <Form> (2,204)
free base

>  <URL> (2,204)
http://selleckchem.com/products/4-hydroxy-3-5-dimethoxybenzyl-alcohol.html

>  <CAS Number> (2,204)
530-56-3

$$$$
S4946 2,3-Dihydroxybenzoic acid.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,205)
2205

>  <Formula> (2,205)
C7H6O4

>  <MolWeight> (2,205)
154.12014

>  <Item Name> (2,205)
2,3-Dihydroxybenzoic acid

>  <Catalog Number> (2,205)
S4946

>  <Synonyms> (2,205)
Pyrocatechuic acid, O-Pyrocatechuic acid, 2-Pyrocatechuic acid, 3-Hydroxysalicylic acid, Hypogallic a

>  <Target> (2,205)
Others

>  <Form> (2,205)
free base

>  <URL> (2,205)
http://selleckchem.com/products/2-3-dihydroxybenzoic-acid.html

>  <CAS Number> (2,205)
303-38-8

$$$$
S4958 Glycocholic acid.cdx
csChFnd80/10101813032D

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.0811    2.8345    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3052    3.5302    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8765    3.5302    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0811    1.4172    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3052    4.9474    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6258    3.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655    2.8345    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8765    4.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8765    0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3372    0.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6258    5.3789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0811    5.6496    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3052    6.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4181    4.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655    1.4172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4543    3.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655    4.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0960    6.7123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0811    7.0602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4543    0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2497    2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4616    6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1682    7.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2497    1.4172    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9062    8.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2847    8.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7420    9.9076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2122    7.5434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1205   10.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5715   11.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6503   12.5552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9502   11.7950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0811    4.2517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3052    2.1322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8765    2.1131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 34  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 35  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 36  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  1  6  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  1  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  1  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
 11 18  1  0  0  0  0
 11 14  1  1  0  0  0
 12 19  1  6  0  0  0
 15 20  1  0  0  0  0
 15 37  1  1  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  6  0  0  0
 20 24  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (2,206)
2206

>  <Formula> (2,206)
C26H43NO6

>  <MolWeight> (2,206)
465.62272

>  <Item Name> (2,206)
Glycocholic acid

>  <Catalog Number> (2,206)
S4958

>  <Synonyms> (2,206)
cholylglycine, Glycocholate

>  <Target> (2,206)
Others

>  <Form> (2,206)
free base

>  <URL> (2,206)
http://selleckchem.com/products/glycocholic-acid.html

>  <CAS Number> (2,206)
475-31-0

$$$$
S4959 Skatole.cdx
csChFnd80/10101813032D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4298    2.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7628    2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7548    0.2584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5817    1.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    3.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0049    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,207)
2207

>  <Formula> (2,207)
C9H9N

>  <MolWeight> (2,207)
131.17446

>  <Item Name> (2,207)
Skatole

>  <Catalog Number> (2,207)
S4959

>  <Synonyms> (2,207)
3-methylindole, Scatole

>  <Target> (2,207)
Anti-infection

>  <URL> (2,207)
http://selleckchem.com/products/skatole.html

>  <CAS Number> (2,207)
83-34-1

$$$$
S4961 3,4,5-Trimethoxycinnamic acid.cdx
csChFnd80/10101813032D

 17 17  0  0  0  0  0  0  0  0999 V2000
    8.4868    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  8 12  1  0  0  0  0
 14 15  1  0  0  0  0
  7 14  1  0  0  0  0
 16 17  1  0  0  0  0
  6 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,208)
2208

>  <Formula> (2,208)
C12H14O5

>  <MolWeight> (2,208)
238.23656

>  <Item Name> (2,208)
3,4,5-Trimethoxycinnamic acid

>  <Catalog Number> (2,208)
S4961

>  <Synonyms> (2,208)
N/A

>  <Target> (2,208)
Others

>  <Form> (2,208)
free base

>  <URL> (2,208)
http://selleckchem.com/products/trimethoxycinnamic-acid.html

>  <CAS Number> (2,208)
90-50-6

$$$$
S4963 Purpurin.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8611    3.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6674    4.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0777    4.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6572    1.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4501    3.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6674    5.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2979    3.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0777    5.5881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6572    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3020    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735    0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2245    4.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5126    4.1886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2253    1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0133    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 11  2  0  0  0  0
  9 16  1  0  0  0  0
  9 13  2  0  0  0  0
 11 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,209)
2209

>  <Formula> (2,209)
C14H8O5

>  <MolWeight> (2,209)
256.21032

>  <Item Name> (2,209)
Purpurin

>  <Catalog Number> (2,209)
S4963

>  <Synonyms> (2,209)
1,2,4-Trihydroxyanthraquinone; Hydroxylizaric acid; Verantin

>  <Target> (2,209)
Others

>  <Form> (2,209)
free base

>  <URL> (2,209)
http://selleckchem.com/products/purpurin.html

>  <CAS Number> (2,209)
81-54-9

$$$$
S4964 Lactobionic acid.cdx
csChFnd80/10101813032D

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.8530    5.6290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8530    4.2290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6406    6.3290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0655    6.3290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6406    3.5290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6406    7.7290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4282    5.6290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2779    5.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0655    7.7290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4385    4.2230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6406    2.1162    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4282    8.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    8.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2779    4.2290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2052    3.5110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4232    1.4133    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8511    1.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4282    9.8290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2052    2.1022    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  6  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  1  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  6  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  6  0  0  0
 12 18  1  0  0  0  0
 12 19  2  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  1  0  0  0
 16 22  1  1  0  0  0
 16 20  1  0  0  0  0
 20 23  1  1  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,210)
2210

>  <Formula> (2,210)
C12H22O12

>  <MolWeight> (2,210)
358.29588

>  <Item Name> (2,210)
Lactobionic acid

>  <Catalog Number> (2,210)
S4964

>  <Synonyms> (2,210)
Galactosylgluconic acid

>  <Target> (2,210)
Others

>  <URL> (2,210)
http://selleckchem.com/products/lactobionic-acid.html

>  <CAS Number> (2,210)
96-82-2

$$$$
S4965 Helicin.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.2032    2.4017    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6032    2.4017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4873    3.6360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5123    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3031    3.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1009    3.6338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0773    1.2159    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2123    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7157    3.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6191    4.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4014    2.4189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4009    4.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3773    0.0035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4078    4.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4157    2.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3147    6.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0014    2.4189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6919    6.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8175    2.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
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  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  1  0  0  0
  7 13  1  1  0  0  0
  7 11  1  0  0  0  0
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  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  6  0  0  0
 12 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 19  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,211)
2211

>  <Formula> (2,211)
C13H16O7

>  <MolWeight> (2,211)
284.26194

>  <Item Name> (2,211)
Helecin

>  <Catalog Number> (2,211)
S4965

>  <Synonyms> (2,211)
Helicin

>  <Target> (2,211)
Others

>  <Form> (2,211)
free base

>  <URL> (2,211)
http://selleckchem.com/products/helicin.html

>  <CAS Number> (2,211)
618-65-5

$$$$
S4966 4-Methylesculetin.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
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  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8  9  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,212)
2212

>  <Formula> (2,212)
C10H8O4

>  <MolWeight> (2,212)
192.16812

>  <Item Name> (2,212)
4-Methylesculetin

>  <Catalog Number> (2,212)
S4966

>  <Synonyms> (2,212)
N/A

>  <Target> (2,212)
Immunology & Inflammation related

>  <Form> (2,212)
free base

>  <URL> (2,212)
http://selleckchem.com/products/methylesculetin.html

>  <CAS Number> (2,212)
529-84-0

$$$$
S4973 Iminostilbene.cdx
csChFnd80/10101813032D

 15 17  0  0  0  0  0  0  0  0999 V2000
    2.7017    0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3512    2.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.4014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7086    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1841    3.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    2.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1913    1.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3496    0.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5630    3.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4686    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2665    0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8007    2.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5953    0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8572    1.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
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  7 12  2  0  0  0  0
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 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,213)
2213

>  <Formula> (2,213)
C14H11N

>  <MolWeight> (2,213)
193.24384

>  <Item Name> (2,213)
Iminostilbene

>  <Catalog Number> (2,213)
S4973

>  <Synonyms> (2,213)
Dibenzazepine

>  <Target> (2,213)
Others

>  <Form> (2,213)
free base

>  <URL> (2,213)
http://selleckchem.com/products/iminostilbene.html

>  <CAS Number> (2,213)
256-96-2

$$$$
S4975 Fimasartan.cdx
csChFnd80/10101813032D

 36 39  0  0  0  0  0  0  0  0999 V2000
    9.7115    3.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5013    4.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5013    5.5953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7104    6.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9203    5.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9215    4.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2890    6.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0768    5.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0768    4.1946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    3.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6509    4.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6509    5.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8643    6.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4383    3.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4383    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Fimasartan

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Kanarb

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RAAS

>  <Form> (2,214)
free base

>  <URL> (2,214)
http://selleckchem.com/products/fimasartan.html

>  <CAS Number> (2,214)
247257-48-3

$$$$
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csChFnd80/10101813032D

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>  <Formula> (2,215)
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>  <MolWeight> (2,215)
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>  <Item Name> (2,215)
Efonidipine

>  <Catalog Number> (2,215)
S4977

>  <Synonyms> (2,215)
NZ-105

>  <Target> (2,215)
Calcium Channel

>  <Form> (2,215)
free base

>  <URL> (2,215)
http://selleckchem.com/products/efonidipine.html

>  <CAS Number> (2,215)
111011-63-3

$$$$
S5017 Oxyclozanide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,216)
2216

>  <Formula> (2,216)
C13H6Cl5NO3

>  <MolWeight> (2,216)
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>  <Item Name> (2,216)
Oxyclozanide

>  <Catalog Number> (2,216)
S5017

>  <Synonyms> (2,216)
Oxiclozanidum, Zanil, Oxyclozanid, Zanilox

>  <Target> (2,216)
Anti-infection

>  <Form> (2,216)
free base

>  <URL> (2,216)
http://selleckchem.com/products/oxyclozanide.html

>  <CAS Number> (2,216)
2277-92-1

$$$$
S5019 Indobufen.cdx
csChFnd80/10101813032D

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2217

>  <Formula> (2,217)
C18H17NO3

>  <MolWeight> (2,217)
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>  <Item Name> (2,217)
Indobufen

>  <Catalog Number> (2,217)
S5019

>  <Synonyms> (2,217)
Ibustrin, K 3920

>  <Target> (2,217)
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free base

>  <URL> (2,217)
http://selleckchem.com/products/indobufen.html

>  <CAS Number> (2,217)
63610-08-2

$$$$
S4847 Faropenem Sodium.cdx
csChFnd80/10101813032D

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    2.4266    0.7211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034    5.6131    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.3727    1.8160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2 20  1  1  0  0  0
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  5 10  1  0  0  0  0
  5 21  1  6  0  0  0
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 11  7  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 11 23  1  6  0  0  0
M  END
>  <Mol_ID> (2,218)
2218

>  <Formula> (2,218)
C12H14NNaO5S

>  <MolWeight> (2,218)
307.29803

>  <Item Name> (2,218)
Faropenem Sodium

>  <Catalog Number> (2,218)
S4847

>  <Synonyms> (2,218)
N/A

>  <Target> (2,218)
Anti-infection

>  <URL> (2,218)
http://selleckchem.com/products/faropenem-sodium.html

>  <CAS Number> (2,218)
122547-49-3

$$$$
S4870 Cefodizime Sodium.cdx
csChFnd80/10101813032D

 40 41  0  0  0  0  0  0  0  0999 V2000
    6.0171    2.3096    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   19.8464    0.0413    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.4364    5.0577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8613    5.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6426    7.1613    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0323    6.4536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.6551    2.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8696    2.2649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 26  1  1  0  0  0
  8 39  1  6  0  0  0
 10 40  2  0  0  0  0
M  END
>  <Mol_ID> (2,219)
2219

>  <Formula> (2,219)
C20H18N6Na2O7S4

>  <MolWeight> (2,219)
628.63246

>  <Item Name> (2,219)
Cefodizime Sodium

>  <Catalog Number> (2,219)
S4870

>  <Synonyms> (2,219)
N/A

>  <Target> (2,219)
Anti-infection

>  <Form> (2,219)
disodium salt

>  <URL> (2,219)
http://selleckchem.com/products/cefodizime-sodium.html

>  <CAS Number> (2,219)
86329-79-5

$$$$
S4883 Lynestrenol.cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.0665    2.8034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0665    4.2034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8532    2.1017    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3973    2.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8532    4.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0904    5.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6023    2.8869    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8532    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2233    3.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 23  1  1  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,220)
2220

>  <Formula> (2,220)
C20H28O

>  <MolWeight> (2,220)
284.43572

>  <Item Name> (2,220)
Lynestrenol

>  <Catalog Number> (2,220)
S4883

>  <Synonyms> (2,220)
Ethinylestrenol

>  <Target> (2,220)
Estrogen/progestogen Receptor

>  <Form> (2,220)
free base

>  <URL> (2,220)
http://selleckchem.com/products/lynestrenol.html

>  <CAS Number> (2,220)
52-76-6

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/10101813032D

 32 32  0  0  0  0  0  0  0  0999 V2000
   11.0894    3.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853    3.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5365    2.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4129    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3873    4.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,221)
2221

>  <Formula> (2,221)
C25H36Cl2N2O3

>  <MolWeight> (2,221)
483.47094

>  <Item Name> (2,221)
Tilorone dihydrochloride

>  <Catalog Number> (2,221)
S5020

>  <Synonyms> (2,221)
N/A

>  <Target> (2,221)
Anti-infection

>  <Form> (2,221)
dihydrochloride 

>  <URL> (2,221)
http://selleckchem.com/products/tilorone-dihydrochloride.html

>  <CAS Number> (2,221)
27591-69-1

$$$$
QUTENZA (capsaicin).cdx
csChFnd80/10101813032D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,222)
2222

>  <Formula> (2,222)
C18H27NO3

>  <MolWeight> (2,222)
305.41188

>  <Item Name> (2,222)
Capsaicin

>  <Catalog Number> (2,222)
S1990

>  <Synonyms> (2,222)
Qutenza, Vanilloid

>  <Target> (2,222)
Others

>  <URL> (2,222)
http://www.selleckchem.com/products/Capsaicin(Qutenza).html

>  <CAS Number> (2,222)
404-86-4

$$$$
S4866 Nicarbazin.cdx
csChFnd80/10101813032D

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
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M  END
>  <Mol_ID> (2,223)
2223

>  <Formula> (2,223)
C19H18N6O6

>  <MolWeight> (2,223)
426.38282

>  <Item Name> (2,223)
Nicarbazin

>  <Catalog Number> (2,223)
S4866

>  <Synonyms> (2,223)
N/A

>  <Target> (2,223)
Anti-infection

>  <Form> (2,223)
salt

>  <URL> (2,223)
http://selleckchem.com/products/nicarbazin.html

>  <CAS Number> (2,223)
330-95-0

$$$$
S4937 4'-Hydroxychalcone.cdx
csChFnd80/10101813032D

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    9.7280    2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
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M  END
>  <Mol_ID> (2,224)
2224

>  <Formula> (2,224)
C15H12O2

>  <MolWeight> (2,224)
224.25458

>  <Item Name> (2,224)
4'-Hydroxychalcone

>  <Catalog Number> (2,224)
S4937

>  <Synonyms> (2,224)
P-Cinnamoylphenol

>  <Target> (2,224)
Others

>  <Form> (2,224)
free base

>  <URL> (2,224)
http://selleckchem.com/products/hydroxychalcone.html

>  <CAS Number> (2,224)
2657-25-2

$$$$
S4976 Sulfalene(SMPZ).cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    4.8061    7.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0227    5.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4094    3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,225)
2225

>  <Formula> (2,225)
C11H12N4O3S

>  <MolWeight> (2,225)
280.30298

>  <Item Name> (2,225)
Sulfalene(SMPZ)

>  <Catalog Number> (2,225)
S4976

>  <Synonyms> (2,225)
Butadiene sulfone, 3-Sulfolene

>  <Target> (2,225)
Others

>  <Form> (2,225)
free base

>  <URL> (2,225)
http://selleckchem.com/products/sulfalene-smpz.html

>  <CAS Number> (2,225)
152-47-6

$$$$
S4982 2,2'5',2''-Terthiophene.cdx
csChFnd80/10101813032D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,226)
2226

>  <Formula> (2,226)
C12H8S3

>  <MolWeight> (2,226)
248.38692

>  <Item Name> (2,226)
2,2':5',2''-Terthiophene

>  <Catalog Number> (2,226)
S4982

>  <Synonyms> (2,226)
N/A

>  <Target> (2,226)
Others

>  <Form> (2,226)
free base

>  <URL> (2,226)
http://selleckchem.com/products/terthiophene.html

>  <CAS Number> (2,226)
1081-34-1

$$$$
S4983 Sorbic acid.cdx
csChFnd80/10101813032D

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.8567    0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6535    0.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0734    0.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2187    0.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,227)
2227

>  <Formula> (2,227)
C6H8O2

>  <MolWeight> (2,227)
112.12652

>  <Item Name> (2,227)
Sorbic acid

>  <Catalog Number> (2,227)
S4983

>  <Synonyms> (2,227)
2,4-Hexadienoic acid

>  <Target> (2,227)
Others

>  <Form> (2,227)
free base

>  <URL> (2,227)
http://selleckchem.com/products/sorbic-acid.html

>  <CAS Number> (2,227)
110-44-1

$$$$
S5016 Isoprinosine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,228)
2228

>  <Formula> (2,228)
C52H78N10O17

>  <MolWeight> (2,228)
1115.23252

>  <Item Name> (2,228)
Isoprinosine

>  <Catalog Number> (2,228)
S5016

>  <Synonyms> (2,228)
inosine pranobex, Immunovir, Groprinosin, Delimmun

>  <Target> (2,228)
Anti-infection,Immunology & Inflammation rel

>  <Form> (2,228)
salt

>  <URL> (2,228)
http://selleckchem.com/products/isoprinosine.html

>  <CAS Number> (2,228)
36703-88-5

$$$$
Sodium valproate.cdx
csChFnd80/10101813032D

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  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,229)
2229

>  <Formula> (2,229)
C8H15NaO2

>  <MolWeight> (2,229)
166.19327

>  <Item Name> (2,229)
Valproic acid sodium salt (Sodium valproate)

>  <Catalog Number> (2,229)
S1168

>  <Synonyms> (2,229)
N/A 

>  <Target> (2,229)
GABA Receptor, HDAC

>  <URL> (2,229)
http://www.selleckchem.com/products/Sodium-valproate.html

>  <CAS Number> (2,229)
1069-66-5, 99-66-1 (FREE BASE)

$$$$
S4623 5,5-Dimethyloxazolidine-2,4-dione.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,230)
2230

>  <Formula> (2,230)
C5H7NO3

>  <MolWeight> (2,230)
129.11398

>  <Item Name> (2,230)
5,5-Dimethyloxazolidine-2,4-dione

>  <Catalog Number> (2,230)
S4624

>  <Synonyms> (2,230)
Dimethadione, Dimethyloxazolidinedione, Dimethadion

>  <Target> (2,230)
Others

>  <Form> (2,230)
free base

>  <URL> (2,230)
http://selleckchem.com/products/5-5-dimethyloxazolidine-2-4-dione.html

>  <CAS Number> (2,230)
695-53-4

$$$$
S3882 Brassinolide.cdx
csChFnd80/10101813032D

 39 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,231)
2231

>  <Formula> (2,231)
C28H48O6

>  <MolWeight> (2,231)
480.67712

>  <Item Name> (2,231)
Brassinolide

>  <Catalog Number> (2,231)
S3882

>  <Synonyms> (2,231)
N/A

>  <Target> (2,231)
Others

>  <Form> (2,231)
free base

>  <URL> (2,231)
http://selleckchem.com/products/brassinolide.html

>  <CAS Number> (2,231)
72962-43-7

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/10101813032D

 68 74  0  0  0  0  0  0  0  0999 V2000
    6.9238    8.9622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.0475   11.0288    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3238    9.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0285    8.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5239    8.9905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.1525   18.1717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.6477   11.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
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M  END
>  <Mol_ID> (2,232)
2232

>  <Formula> (2,232)
C47H80O18

>  <MolWeight> (2,232)
933.1273

>  <Item Name> (2,232)
Notoginsenoside R1

>  <Catalog Number> (2,232)
S3785

>  <Synonyms> (2,232)
Sanchinoside R1

>  <Target> (2,232)
Others

>  <Form> (2,232)
free base

>  <URL> (2,232)
http://selleckchem.com/products/notoginsenoside-r1.html

>  <CAS Number> (2,232)
80418-24-2

$$$$
S3952 3,4-Dihydroxybenzaldehyde.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6376    3.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6512    2.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8530    4.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2188    3.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4604    1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,233)
2233

>  <Formula> (2,233)
C7H6O3

>  <MolWeight> (2,233)
138.12074

>  <Item Name> (2,233)
3,4-Dihydroxybenzaldehyde

>  <Catalog Number> (2,233)
S3952

>  <Synonyms> (2,233)
protocatechuic aldehyde

>  <Target> (2,233)
Others

>  <Form> (2,233)
free base

>  <URL> (2,233)
http://selleckchem.com/products/3-4-dihydroxybenzaldehyde.html

>  <CAS Number> (2,233)
139-85-5

$$$$
S3958 3,5-Diiodotyrosine Dihydrate.cdx
csChFnd80/10101813032D

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    4.4424    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2330    3.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4424    1.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0779    3.4987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,234)
2234

>  <Formula> (2,234)
C9H13I2NO5

>  <MolWeight> (2,234)
469.01216

>  <Item Name> (2,234)
3,5-Diiodotyrosine Dihydrate

>  <Catalog Number> (2,234)
S3958

>  <Synonyms> (2,234)
Iodogorgoic acid, apothyrin, jodgorgon

>  <Target> (2,234)
Others

>  <Form> (2,234)
dihydrate 

>  <URL> (2,234)
http://selleckchem.com/products/3-5-diiodotyrosine-dihydrate.html

>  <CAS Number> (2,234)
18835-59-1

$$$$
S3969 Veratric acid.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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M  END
>  <Mol_ID> (2,235)
2235

>  <Formula> (2,235)
C9H10O4

>  <MolWeight> (2,235)
182.1733

>  <Item Name> (2,235)
Veratric acid

>  <Catalog Number> (2,235)
S3969

>  <Synonyms> (2,235)
3,4-Dimethoxybenzoic acid

>  <Target> (2,235)
Immunology & Inflammation related

>  <Form> (2,235)
free base

>  <URL> (2,235)
http://selleckchem.com/products/veratric-acid.html

>  <CAS Number> (2,235)
93-07-2

$$$$
S3970 Vindoline.cdx
csChFnd80/10101813032D

 35 39  0  0  0  0  0  0  0  0999 V2000
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    8.1239    3.7227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8131    3.8164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6935    4.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 22  1  1  0  0  0
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 28 32  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (2,236)
2236

>  <Formula> (2,236)
C25H32N2O6

>  <MolWeight> (2,236)
456.53138

>  <Item Name> (2,236)
Vindoline

>  <Catalog Number> (2,236)
S3970

>  <Synonyms> (2,236)
N/A

>  <Target> (2,236)
Microtubule Associated

>  <Form> (2,236)
free base

>  <URL> (2,236)
http://selleckchem.com/products/vindoline.html

>  <CAS Number> (2,236)
2182-14-1

$$$$
S3971 Fusidine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,237)
2237

>  <Formula> (2,237)
C31H48O6

>  <MolWeight> (2,237)
516.70922

>  <Item Name> (2,237)
Fusidine

>  <Catalog Number> (2,237)
S3971

>  <Synonyms> (2,237)
Fusidic Acid

>  <Target> (2,237)
Anti-infection

>  <Form> (2,237)
free base

>  <URL> (2,237)
http://selleckchem.com/products/fusidine.html

>  <CAS Number> (2,237)
6990-06-3

$$$$
Clindamycin.cdx
csChFnd80/10101813032D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,238)
2238

>  <Formula> (2,238)
C18H33ClN2O5S

>  <MolWeight> (2,238)
424.98302

>  <Item Name> (2,238)
Clindamycin

>  <Catalog Number> (2,238)
S2830

>  <Synonyms> (2,238)
N/A

>  <Target> (2,238)
Others

>  <URL> (2,238)
http://selleckchem.com/products/clindamycin.html

>  <CAS Number> (2,238)
18323-44-9

$$$$
Clindamycin hydrochloride.cdx
csChFnd80/10101813032D

 28 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,239)
2239

>  <Formula> (2,239)
C18H34Cl2N2O5S

>  <MolWeight> (2,239)
461.44396

>  <Item Name> (2,239)
Clindamycin HCl 

>  <Catalog Number> (2,239)
S2457

>  <Target> (2,239)
50S ribosomal 

>  <Form> (2,239)
hydrochloride

>  <URL> (2,239)
http://www.selleckchem.com/products/Clindamycin-

>  <CAS Number> (2,239)
21462-39-5 

$$$$
Clindamycin hydrochloride.cdx
csChFnd80/10101813032D

 45 45  0  0  0  0  0  0  0  0999 V2000
   20.5777    5.8771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   23.0026    4.4771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   31.3188    7.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8863    8.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1613    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    6.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7989    4.5248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7448    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8329    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    5.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9464    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 11  1  1  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  6  0  0  0
 15 13  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
  2 20  1  6  0  0  0
  1 21  1  1  0  0  0
  6 22  1  1  0  0  0
 18 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
>  <Mol_ID> (2,240)
2240

>  <Formula> (2,240)
C34H64Cl2N2O6S

>  <MolWeight> (2,240)
699.85276

>  <Item Name> (2,240)
Clindamycin palmitate HCl

>  <Catalog Number> (2,240)
S2596

>  <Synonyms> (2,240)
N/A

>  <Target> (2,240)
Others

>  <Form> (2,240)
hydrochloride

>  <URL> (2,240)
http://selleckchem.com/products/clindamycin-palmitate-hcl.html

>  <CAS Number> (2,240)
25507-04-4 

$$$$
GW 5074.cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3957    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1930    5.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5624    5.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4992    4.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0665    3.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6971    3.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8638    5.0218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0001    2.3634    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.9935    7.0990    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  8 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
 12 13  1  4  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,241)
2241

>  <Formula> (2,241)
C15H8Br2INO2

>  <MolWeight> (2,241)
520.94199

>  <Item Name> (2,241)
GW5074

>  <Catalog Number> (2,241)
S2872

>  <Synonyms> (2,241)
N/A

>  <Target> (2,241)
Raf

>  <Form> (2,241)
free base

>  <URL> (2,241)
http://selleckchem.com/products/gw5074.html

>  <CAS Number> (2,241)
220904-83-6

$$$$
Isotretinoin.cdx
csChFnd80/10101813032D

 22 22  0  0  0  0  0  0  0  0999 V2000
   12.1461    0.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1457    2.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9294    2.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7080    2.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9376    0.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2845    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    2.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8312    2.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    2.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    2.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3624    0.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9291    4.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    4.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4066    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    0.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    0.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6361    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1133    3.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3163    3.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  5  1  2  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
  3 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 11  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,242)
2242

>  <Formula> (2,242)
C20H28O2

>  <MolWeight> (2,242)
300.43512

>  <Item Name> (2,242)
Isotretinoin 

>  <Catalog Number> (2,242)
S1379 

>  <Synonyms> (2,242)
13-cis retinoic acid

>  <Target> (2,242)
hydroxylase

>  <Form> (2,242)
free base

>  <URL> (2,242)
http://www.selleckchem.com/products/Isotretinoin.html

>  <CAS Number> (2,242)
4759-48-2

$$$$
Ulipristal acetate.cdx
csChFnd80/10101813032D

 37 41  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1708    4.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    1.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3144    7.0045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    6.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1608    4.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5131    4.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7984    2.6527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  1  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  2 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  3  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  2  0  0  0  0
 22 24  2  0  0  0  0
 13 25  1  0  0  0  0
 25 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  6  0  0  0
  5 29  1  1  0  0  0
  3 30  1  1  0  0  0
  4 31  1  6  0  0  0
 27 32  2  0  0  0  0
 27 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 25 37  1  0  0  0  0
M  END
>  <Mol_ID> (2,243)
2243

>  <Formula> (2,243)
C30H37NO4

>  <MolWeight> (2,243)
475.61908

>  <Item Name> (2,243)
Ulipristal acetate

>  <Catalog Number> (2,243)
S3081

>  <Synonyms> (2,243)
CDB-2914

>  <Target> (2,243)
Estrogen/progestogen Receptor

>  <URL> (2,243)
http://selleckchem.com/products/ulipristal.html

>  <CAS Number> (2,243)
126784-99-4

$$$$
spiramycin.cdx
csChFnd80/10101813032D

 59 62  0  0  0  0  0  0  0  0999 V2000
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,244)
2244

>  <Formula> (2,244)
C43H74N2O14

>  <MolWeight> (2,244)
843.05266

>  <Item Name> (2,244)
spiramycin

>  <Catalog Number> (2,244)
S4082

>  <Synonyms> (2,244)
Formacidine

>  <Target> (2,244)
Anti-infection

>  <URL> (2,244)
http://selleckchem.com/products/spiramycin.html

>  <CAS Number> (2,244)
8025-81-8

$$$$
Methyl-Hesperidin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,245)
2245

>  <Formula> (2,245)
C29H36O15

>  <MolWeight> (2,245)
624.58714

>  <Item Name> (2,245)
Methyl-Hesperidin

>  <Catalog Number> (2,245)
S2323

>  <Form> (2,245)
free base

>  <CAS Number> (2,245)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,246)
2246

>  <Formula> (2,246)
C19H19ClN6O4S3

>  <MolWeight> (2,246)
527.03996

>  <Item Name> (2,246)
SNS-314 Mesylate

>  <Catalog Number> (2,246)
S1154

>  <Synonyms> (2,246)
N/A

>  <Target> (2,246)
Aurora Kinase

>  <Form> (2,246)
Mesylate

>  <URL> (2,246)
http://www.selleckchem.com/products/SNS-314.html

>  <CAS Number> (2,246)
1146618-41-8

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/10101813032D

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  3  9  1  0  0  0  0
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M  END
>  <Mol_ID> (2,247)
2247

>  <Formula> (2,247)
C18H21N5O2

>  <MolWeight> (2,247)
339.39164

>  <Item Name> (2,247)
Alogliptin£¨SYR-322£©

>  <Catalog Number> (2,247)
S2868

>  <Synonyms> (2,247)
N/A

>  <Target> (2,247)
DPP-4

>  <Form> (2,247)
Free Base

>  <URL> (2,247)
http://www.selleckchem.com/products/alogliptin-syr-322.html

>  <CAS Number> (2,247)
850649-61-5

$$$$
Propranolol HCl.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,248)
2248

>  <Formula> (2,248)
C16H22ClNO2

>  <MolWeight> (2,248)
295.80438

>  <Item Name> (2,248)
Propranolol HCl

>  <Catalog Number> (2,248)
S4076

>  <Synonyms> (2,248)
N/A

>  <Target> (2,248)
Adrenergic Receptor

>  <Form> (2,248)
Hydrochloride

>  <URL> (2,248)
http://www.selleckchem.com/products/propranolol-hcl.html

>  <CAS Number> (2,248)
318-98-9

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,249)
2249

>  <Formula> (2,249)
C15H14O6

>  <MolWeight> (2,249)
290.26806

>  <Item Name> (2,249)
(+)-Catechin

>  <Catalog Number> (2,249)
S4722

>  <Synonyms> (2,249)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (2,249)
Others

>  <Form> (2,249)
Free Base

>  <URL> (2,249)
http://www.selleckchem.com/products/catechin.html

>  <CAS Number> (2,249)
154-23-4

$$$$
S3810 Scutellarin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,250)
2250

>  <Formula> (2,250)
C21H18O12

>  <MolWeight> (2,250)
462.36042

>  <Item Name> (2,250)
Scutellarin

>  <Catalog Number> (2,250)
S3810

>  <Synonyms> (2,250)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (2,250)
Others

>  <Form> (2,250)
free base

>  <URL> (2,250)
http://www.selleckchem.com/products/scutellarin.html

>  <CAS Number> (2,250)
27740-01-8

$$$$
untitled.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,251)
2251

>  <Formula> (2,251)
C24H25ClFN5O3

>  <MolWeight> (2,251)
485.9384032

>  <Item Name> (2,251)
CI-1033 (Canertinib)

>  <Catalog Number> (2,251)
S1019

>  <Synonyms> (2,251)
PD-183805 

>  <Target> (2,251)
EGFR, HER2

>  <Form> (2,251)
Free Base

>  <URL> (2,251)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

>  <CAS Number> (2,251)
267243-28-7

$$$$
S7448.cdx
csChFnd80/10101813032D

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Immunology & Inflammation related

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Complex

>  <URL> (2,252)
http://www.selleckchem.com/products/corm-3.html

>  <CAS Number> (2,252)
475473-26-8

$$$$
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CT53518

>  <Target> (2,253)
Flt

>  <Form> (2,253)
Free Base

>  <URL> (2,253)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

>  <CAS Number> (2,253)
387867-13-2

$$$$
untitled.cdx
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2254

>  <Formula> (2,254)
C22H24BrFN4O2

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Vandetanib (ZD6474)

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S1046

>  <Synonyms> (2,254)
N/A

>  <Target> (2,254)
VEGFR

>  <Form> (2,254)
Free Base

>  <URL> (2,254)
http://www.selleckchem.com/products/Vandetanib.html

>  <CAS Number> (2,254)
443913-73-3

$$$$
Enrofloxacin.cdx
csChFnd80/10101813032D

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Enrofloxacin

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S3059

>  <Synonyms> (2,255)
N/A

>  <Target> (2,255)
Antifection

>  <Form> (2,255)
Free Base

>  <URL> (2,255)
http://www.selleckchem.com/products/enrofloxacin.html

>  <CAS Number> (2,255)
93106-60-6

$$$$
Hypoxanthine.cdx
csChFnd80/10101813032D

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Free Base

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http://www.selleckchem.com/products/hypoxanthine.html

>  <CAS Number> (2,256)
68-94-0

$$$$
(R)-baclofen.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,257)
2373

>  <Formula> (2,257)
C10H12ClNO2

>  <MolWeight> (2,257)
213.66078

>  <Item Name> (2,257)
(R)-baclofen

>  <Catalog Number> (2,257)
S3072

>  <Synonyms> (2,257)
N/A

>  <Target> (2,257)
GABA Receptor

>  <Form> (2,257)
Free Base

>  <URL> (2,257)
http://www.selleckchem.com/products/r-baclofen.html

>  <CAS Number> (2,257)
69308-37-8

$$$$
untitled.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,258)
2374

>  <Formula> (2,258)
C21H46NO4P

>  <MolWeight> (2,258)
407.568001

>  <Item Name> (2,258)
Miltefosine (Hexadecylphosphocholine)

>  <Catalog Number> (2,258)
S3056

>  <Synonyms> (2,258)
N/A

>  <Target> (2,258)
Akt

>  <Form> (2,258)
Free Base

>  <URL> (2,258)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

>  <CAS Number> (2,258)
58066-85-6

$$$$
L-NAME HCl.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,259)
2375

>  <Formula> (2,259)
C7H16ClN5O4

>  <MolWeight> (2,259)
269.68604

>  <Item Name> (2,259)
L-NAME HCl

>  <Catalog Number> (2,259)
S2877

>  <Synonyms> (2,259)
N/A

>  <Target> (2,259)
NOS

>  <Form> (2,259)
Hydrochloride

>  <URL> (2,259)
http://www.selleckchem.com/products/l-name-hcl.html

>  <CAS Number> (2,259)
51298-62-5

$$$$
Ambroxol HCl.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,260)
2376

>  <Formula> (2,260)
C13H19Br2ClN2O

>  <MolWeight> (2,260)
414.56376

>  <Item Name> (2,260)
Ambroxol HCl

>  <Catalog Number> (2,260)
S3064

>  <Synonyms> (2,260)
N/A

>  <Target> (2,260)
Sodium Channel

>  <Form> (2,260)
Hydrochloride

>  <URL> (2,260)
http://www.selleckchem.com/products/ambroxol-hcl.html

>  <CAS Number> (2,260)
23828-92-4

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,261)
2377

>  <Formula> (2,261)
C18H21N5O2

>  <MolWeight> (2,261)
339.39164

>  <Item Name> (2,261)
Alogliptin

>  <Catalog Number> (2,261)
S5365

>  <CAS Number> (2,261)
850649-61-5

$$$$
Hygromycin B.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,262)
2378

>  <Formula> (2,262)
C20H37N3O13

>  <MolWeight> (2,262)
527.52008

>  <Item Name> (2,262)
Hygromycin B

>  <Catalog Number> (2,262)
S2908

>  <Synonyms> (2,262)
N/A

>  <Target> (2,262)
Antifection

>  <Form> (2,262)
Free Base

>  <URL> (2,262)
http://www.selleckchem.com/products/hygromycin-b.html

>  <CAS Number> (2,262)
31282-04-9

$$$$
NU7026.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,263)
2379

>  <Formula> (2,263)
C17H15NO3

>  <MolWeight> (2,263)
281.3059

>  <Item Name> (2,263)
NU7026

>  <Catalog Number> (2,263)
S2893

>  <Synonyms> (2,263)
N/A

>  <Target> (2,263)
DNA-PK

>  <Form> (2,263)
Free Base

>  <URL> (2,263)
http://www.selleckchem.com/products/nu7026.html

>  <CAS Number> (2,263)
154447-35-5

$$$$
Amikacin sulfate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,264)
2380

>  <Formula> (2,264)
C22H47N5O21S2

>  <MolWeight> (2,264)
781.75948

>  <Item Name> (2,264)
Amikacin disulfate

>  <Catalog Number> (2,264)
S3065

>  <Synonyms> (2,264)
BB-K8

>  <Target> (2,264)
Antifection

>  <Form> (2,264)
Sulfate

>  <URL> (2,264)
http://www.selleckchem.com/products/amikacin-sulfate.html

>  <CAS Number> (2,264)
39831-55-5

$$$$
G-418 sulphate.cdx
csChFnd80/10101813032D

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C20H44N4O18S2

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>  <Item Name> (2,265)
Geneticin (G418 Sulfate)

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S3028

>  <Synonyms> (2,265)
N/A

>  <Target> (2,265)
Antifection

>  <Form> (2,265)
Disulfate

>  <URL> (2,265)
http://www.selleckchem.com/products/geneticin-g418-sulfate.html

>  <CAS Number> (2,265)
108321-42-2

$$$$
Mozavaptan.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,266)
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C27H29N3O2

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Mozavaptan

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S2920

>  <Synonyms> (2,266)
N/A

>  <Target> (2,266)
Others

>  <Form> (2,266)
Free Base

>  <URL> (2,266)
http://www.selleckchem.com/products/mozavaptan.html

>  <CAS Number> (2,266)
137975-06-5

$$$$
Prazosin hydrochloride.cdx
csChFnd80/10101813032D

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2383

>  <Formula> (2,267)
C19H22ClN5O4

>  <MolWeight> (2,267)
419.86208

>  <Item Name> (2,267)
Prazosin HCl

>  <Catalog Number> (2,267)
S1424

>  <Synonyms> (2,267)
Minipress,Vasoflex,Pressin and Hypovase

>  <Target> (2,267)
Others

>  <Form> (2,267)
Hydrochloride

>  <URL> (2,267)
http://www.selleckchem.com/products/Prazosin-hydrochloride.html

>  <CAS Number> (2,267)
19237-84-4

$$$$
DEPEN (penicillamine).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,268)
2384

>  <Formula> (2,268)
C5H11NO2S

>  <MolWeight> (2,268)
149.21134

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Penicillamine (Cuprimine)

>  <Catalog Number> (2,268)
S1853

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Depen, Distamine, D-Mercaptovaline, D-Penamine, Kuprenil

>  <Target> (2,268)
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Free Base

>  <URL> (2,268)
http://www.selleckchem.com/products/Penicillamine(Cuprimine).html

>  <CAS Number> (2,268)
52-67-5

$$$$
Sarafloxacin hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,269)
2385

>  <Formula> (2,269)
C20H18ClF2N3O3

>  <MolWeight> (2,269)
421.8250264

>  <Item Name> (2,269)
Sarafloxacin HCl

>  <Catalog Number> (2,269)
S1977

>  <Synonyms> (2,269)
N/A

>  <Target> (2,269)
Antifection

>  <Form> (2,269)
Hydrochloride

>  <URL> (2,269)
http://www.selleckchem.com/products/sarafloxacin-hydrochloride.html

>  <CAS Number> (2,269)
91296-87-6

$$$$
LIQUID PRED (Lisinopril).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,270)
2386

>  <Formula> (2,270)
C21H31N3O5

>  <MolWeight> (2,270)
405.48794

>  <Item Name> (2,270)
Lisinopril (Zestril)

>  <Catalog Number> (2,270)
S2076

>  <Synonyms> (2,270)
Prinivil

>  <Target> (2,270)
RAAS

>  <Form> (2,270)
Free Base

>  <URL> (2,270)
http://www.selleckchem.com/products/lisinopril-zestril.html

>  <CAS Number> (2,270)
83915-83-7

$$$$
Fosinopril sodium.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,271)
2387

>  <Formula> (2,271)
C30H45NNaO7P

>  <MolWeight> (2,271)
585.644331

>  <Item Name> (2,271)
Fosinopril sodium (Monopril)

>  <Catalog Number> (2,271)
S2095

>  <Synonyms> (2,271)
N/A

>  <Target> (2,271)
RAAS

>  <Form> (2,271)
Sodium Salt

>  <URL> (2,271)
http://www.selleckchem.com/products/fosinopril-sodium-monopril.html

>  <CAS Number> (2,271)
88889-14-9

$$$$
Vinpocetine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,272)
2388

>  <Formula> (2,272)
C22H26N2O2

>  <MolWeight> (2,272)
350.45404

>  <Item Name> (2,272)
Vinpocetine (Cavinton)

>  <Catalog Number> (2,272)
S2110

>  <Synonyms> (2,272)
N/A

>  <Target> (2,272)
Sodium Channel

>  <Form> (2,272)
Free Base

>  <URL> (2,272)
http://www.selleckchem.com/products/vinpocetine-cavinton.html

>  <CAS Number> (2,272)
42971-09-5

$$$$
Dichlorphenamide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,273)
2389

>  <Formula> (2,273)
C6H6Cl2N2O4S2

>  <MolWeight> (2,273)
305.15884

>  <Item Name> (2,273)
Dichlorphenamide (Diclofenamide)

>  <Catalog Number> (2,273)
S2177

>  <Synonyms> (2,273)
Diclofenamide

>  <Target> (2,273)
Others

>  <Form> (2,273)
Free Base

>  <URL> (2,273)
http://www.selleckchem.com/products/Dichlorphenamide(Diclofenamide).html

>  <CAS Number> (2,273)
120-97-8

$$$$
Tobramycin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,274)
2390

>  <Formula> (2,274)
C18H37N5O9

>  <MolWeight> (2,274)
467.51448

>  <Item Name> (2,274)
Tobramycin

>  <Catalog Number> (2,274)
S2514

>  <Synonyms> (2,274)
N/A

>  <Target> (2,274)
Antifection

>  <Form> (2,274)
Free Base

>  <URL> (2,274)
http://www.selleckchem.com/products/Tobramycin(free-base).html

>  <CAS Number> (2,274)
32986-56-4

$$$$
Vancomycin hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,275)
2391

>  <Formula> (2,275)
C66H76Cl3N9O24

>  <MolWeight> (2,275)
1485.71454

>  <Item Name> (2,275)
Vancomycin HCl (Vancocin)

>  <Catalog Number> (2,275)
S2575

>  <Synonyms> (2,275)
N/A

>  <Target> (2,275)
Antifection

>  <Form> (2,275)
HCl

>  <URL> (2,275)
http://www.selleckchem.com/products/vancomycin-hydrochloride-vancocin.html

>  <CAS Number> (2,275)
1404-93-9 

$$$$
Inulin.cdx
csChFnd80/10101813032D

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?n?
M  END
>  <Mol_ID> (2,276)
2392

>  <Formula> (2,276)
C12H22O11R

>  <MolWeight> (2,276)
342.29648

>  <Item Name> (2,276)
Inulin

>  <Catalog Number> (2,276)
S2609

>  <Synonyms> (2,276)
N/A

>  <Target> (2,276)
Others

>  <Form> (2,276)
Free Base

>  <URL> (2,276)
http://www.selleckchem.com/products/inulin.html

>  <CAS Number> (2,276)
9005-80-5

$$$$
RELENZA (zanamivir).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,277)
2393

>  <Formula> (2,277)
C12H20N4O7

>  <MolWeight> (2,277)
332.3098

>  <Item Name> (2,277)
Zanamivir (Relenza)

>  <Catalog Number> (2,277)
S3007

>  <Synonyms> (2,277)
139110-80-8

>  <Target> (2,277)
Antifection

>  <Form> (2,277)
Free Base

>  <URL> (2,277)
http://www.selleckchem.com/products/zanamivir-relenza.html

>  <CAS Number> (2,277)
139110-80-8

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,278)
2394

>  <Formula> (2,278)
C11H6F3NO2S

>  <MolWeight> (2,278)
273.2310496

>  <Item Name> (2,278)
SMI-4a

>  <Catalog Number> (2,278)
S8005

>  <Synonyms> (2,278)
N/A

>  <Target> (2,278)
Pim

>  <Form> (2,278)
Free Base

>  <URL> (2,278)
http://www.selleckchem.com/products/smi-4a.html

>  <CAS Number> (2,278)
438190-29-5

$$$$
VE-821.cdx
csChFnd80/10101813032D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,279)
2395

>  <Formula> (2,279)
C18H16N4O3S

>  <MolWeight> (2,279)
368.40964

>  <Item Name> (2,279)
VE-821

>  <Catalog Number> (2,279)
S8007

>  <Synonyms> (2,279)
N/A

>  <Target> (2,279)
ATM/ATR

>  <Form> (2,279)
Free Base

>  <URL> (2,279)
http://www.selleckchem.com/products/ve-821.html

>  <CAS Number> (2,279)
1232410-49-9

$$$$
SULFAPYRIDINE (sulfapyridine).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,280)
2396

>  <Formula> (2,280)
C11H11N3O2S

>  <MolWeight> (2,280)
249.28894

>  <Item Name> (2,280)
Sulfapyridine (Dagenan)

>  <Catalog Number> (2,280)
S1617

>  <Synonyms> (2,280)
Coccoclase, Eubasin, Eubasinum, Haptocil

>  <Target> (2,280)
Antifection

>  <Form> (2,280)
Free Base

>  <URL> (2,280)
http://www.selleckchem.com/products/Sulfapyridine(Dagenan).html

>  <CAS Number> (2,280)
144-83-2

$$$$
RGD peptide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,281)
2397

>  <Formula> (2,281)
C12H22N6O6

>  <MolWeight> (2,281)
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>  <Item Name> (2,281)
RGD (Arg-Gly-Asp) Peptides

>  <Catalog Number> (2,281)
S8008

>  <Synonyms> (2,281)
Arginine-Glycine-Aspartic Acid

>  <Target> (2,281)
Integrase

>  <Form> (2,281)
Free Base

>  <URL> (2,281)
http://www.selleckchem.com/products/rgd-arg-gly-asp-peptides.html

>  <CAS Number> (2,281)
99896-85-2

$$$$
GSK2636771.cdx
csChFnd80/10101813032D

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Fumarate

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http://www.selleckchem.com/products/tak-438.html

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1260141-27-2

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ALK

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http://www.selleckchem.com/products/ap26113.html

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1197958-12-5

$$$$
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csChFnd80/10101813032D

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960203-27-4

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PPAR

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317318-84-6

$$$$
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>  <Formula> (2,299)
C24H38Cl3N7

>  <MolWeight> (2,299)
530.96442

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NSC 23766

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S8031

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N/A

>  <Target> (2,299)
Rac

>  <Form> (2,299)
HCl

>  <URL> (2,299)
http://www.selleckchem.com/products/nsc-23766.html

>  <CAS Number> (2,299)
1177865-17-6

$$$$
Pemirolast potassium.cdx
csChFnd80/10101813032D

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>  <Formula> (2,300)
C10H7KN6O

>  <MolWeight> (2,300)
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>  <Item Name> (2,300)
Pemirolast (BMY 26517) potassium

>  <Catalog Number> (2,300)
S4008

>  <Synonyms> (2,300)
TWT-8152

>  <Target> (2,300)
Histamine Receptor

>  <Form> (2,300)
Potassium

>  <URL> (2,300)
http://www.selleckchem.com/products/pemirolast-bmy-26517-potassium.html

>  <CAS Number> (2,300)
100299-08-9

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/10101813032D

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>  <Formula> (2,301)
FNa2O3P

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Sodium Monofluorophosphate

>  <Catalog Number> (2,301)
S4013

>  <Synonyms> (2,301)
Sodium Fluorophosphate

>  <Target> (2,301)
Others
phosphatase

>  <Form> (2,301)
Disodium salt

>  <URL> (2,301)
http://www.selleckchem.com/products/sodium-monofluorophosphate.html

>  <CAS Number> (2,301)
10163-15-2

$$$$
IPI-145.cdx
csChFnd80/10101813032D

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2418

>  <Formula> (2,302)
C22H17ClN6O

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>  <Item Name> (2,302)
Duvelisib (IPI-145, INK1197)

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S7028

>  <Synonyms> (2,302)
N/A

>  <Target> (2,302)
PI3K

>  <Form> (2,302)
Free Base

>  <URL> (2,302)
http://www.selleckchem.com/products/ipi-145-ink1197.html

>  <CAS Number> (2,302)
1201438-56-3

$$$$
UPF-1069.cdx
csChFnd80/10101813032D

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2419

>  <Formula> (2,303)
C17H13NO3

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279.29002

>  <Item Name> (2,303)
UPF 1069

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S8038 

>  <Synonyms> (2,303)
N/A

>  <Target> (2,303)
PARP

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Free Base

>  <URL> (2,303)
http://www.selleckchem.com/products/upf-1069.html

>  <CAS Number> (2,303)
1048371-03-4

$$$$
Necrostatin-1.cdx
csChFnd80/10101813032D

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Necrostatin-1

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S8037 

>  <Synonyms> (2,304)
N/A

>  <Target> (2,304)
TNF-alpha

>  <Form> (2,304)
Free Base

>  <URL> (2,304)
http://www.selleckchem.com/products/necrostatin-1.html

>  <CAS Number> (2,304)
4311-88-0

$$$$
(+)-Bicuculline.cdx
csChFnd80/10101813032D

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M  END
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2421

>  <Formula> (2,305)
C20H17NO6

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367.35208

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(+)-Bicuculline

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S7071

>  <Synonyms> (2,305)
D-Bicuculline

>  <Target> (2,305)
GABA Receptor

>  <Form> (2,305)
Free Base

>  <URL> (2,305)
http://www.selleckchem.com/products/bicuculline.html

>  <CAS Number> (2,305)
485-49-4

$$$$
N-Methyl-D-aspartic acid£¨NMDA£©.cdx
csChFnd80/10101813032D

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M  END
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2422

>  <Formula> (2,306)
C5H9NO4

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147.12926

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NMDA (N-Methyl-D-aspartic acid)

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S7072

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N/A

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GluR

>  <Form> (2,306)
Free Base

>  <URL> (2,306)
http://www.selleckchem.com/products/nmda-n-methyl-d-aspartic-acid.html

>  <CAS Number> (2,306)
6384-92-5

$$$$
netilmicin sulfate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,307)
2423

>  <Formula> (2,307)
C42H92N10O34S5

>  <MolWeight> (2,307)
1441.55148

>  <Item Name> (2,307)
Netilmicin Sulfate

>  <Catalog Number> (2,307)
S4052

>  <Synonyms> (2,307)
N/A

>  <Target> (2,307)
Antifection

>  <Form> (2,307)
Sulfate

>  <URL> (2,307)
http://www.selleckchem.com/products/netilmicin-sulfate.html

>  <CAS Number> (2,307)
7664-93-9

$$$$
ABT-199.cdx
csChFnd80/10101813032D

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Bcl-2

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Free Base

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http://www.selleckchem.com/products/abt-199.html

>  <CAS Number> (2,308)
1257044-40-8

$$$$
Birinapant (TL32711).cdx
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Birinapant (TL32711)

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N/A

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Caspase

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>  <URL> (2,309)
http://www.selleckchem.com/products/birinapant-tl32711.html

>  <CAS Number> (2,309)
1260251-31-7

$$$$
IWR-1(endo-IWR 1).cdx
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C26H21N3O3

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S7086

>  <Synonyms> (2,310)
IWR-1

>  <Target> (2,310)
Wnt/beta-catenin

>  <Form> (2,310)
Free Base

>  <URL> (2,310)
http://www.selleckchem.com/products/iwr-1-endo.html

>  <CAS Number> (2,310)
1127442-82-3

$$$$
EPZ-5676.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,311)
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>  <Formula> (2,311)
C30H42N8O3

>  <MolWeight> (2,311)
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>  <Item Name> (2,311)
Pinometostat (EPZ5676)

>  <Catalog Number> (2,311)
S7062

>  <Synonyms> (2,311)
N/A

>  <Target> (2,311)
Histone Methyltransferase

>  <Form> (2,311)
Free Base

>  <URL> (2,311)
http://www.selleckchem.com/products/epz-5676.html

>  <CAS Number> (2,311)
1380288-87-8

$$$$
Oprozomib (ONX 0912).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,312)
2428

>  <Formula> (2,312)
C25H32N4O7S

>  <MolWeight> (2,312)
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>  <Item Name> (2,312)
Oprozomib (ONX 0912)

>  <Catalog Number> (2,312)
S7049

>  <Synonyms> (2,312)
N/A

>  <Target> (2,312)
Proteasome

>  <Form> (2,312)
Free Base

>  <URL> (2,312)
http://www.selleckchem.com/products/oprozomib-onx-0912.html

>  <CAS Number> (2,312)
935888-69-0

$$$$
VX661.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,318)
2434

>  <Formula> (2,318)
C38H38N4O6

>  <MolWeight> (2,318)
646.73152

>  <Item Name> (2,318)
Tariquidar

>  <Catalog Number> (2,318)
S8028

>  <Synonyms> (2,318)
N/A

>  <Target> (2,318)
P-gp

>  <Form> (2,318)
Free Base

>  <URL> (2,318)
http://www.selleckchem.com/products/tariquidar.html

>  <CAS Number> (2,318)
206873-63-4

$$$$
WY 14643.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,319)
2435

>  <Formula> (2,319)
C14H14ClN3O2S

>  <MolWeight> (2,319)
323.79786

>  <Item Name> (2,319)
WY 14643 (Pirinixic Acid)

>  <Catalog Number> (2,319)
S8029

>  <Synonyms> (2,319)
N/A

>  <Target> (2,319)
PPAR

>  <Form> (2,319)
Free Base

>  <URL> (2,319)
http://www.selleckchem.com/products/wy-14643-pirinixic-acid.html

>  <CAS Number> (2,319)
50892-23-4

$$$$
Hexamethonium bromide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,320)
2436

>  <Formula> (2,320)
C12H30Br2N2

>  <MolWeight> (2,320)
362.188

>  <Item Name> (2,320)
Hexamethonium Dibromide

>  <Catalog Number> (2,320)
S4069

>  <Synonyms> (2,320)
N/A

>  <Target> (2,320)
AChR

>  <Form> (2,320)
Dibromide

>  <URL> (2,320)
http://www.selleckchem.com/products/hexamethonium-bromide.html

>  <CAS Number> (2,320)
55-97-0

$$$$
GW2580.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,321)
2437

>  <Formula> (2,321)
C20H22N4O3

>  <MolWeight> (2,321)
366.41368

>  <Item Name> (2,321)
GW2580

>  <Catalog Number> (2,321)
S8042

>  <Synonyms> (2,321)
N/A

>  <Target> (2,321)
CSF-1R

>  <Form> (2,321)
Free Base

>  <URL> (2,321)
http://www.selleckchem.com/products/gw2580.html

>  <CAS Number> (2,321)
870483-87-7

$$$$
Flavoxate HCL.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,322)
2438

>  <Formula> (2,322)
C24H26ClNO4

>  <MolWeight> (2,322)
427.92054

>  <Item Name> (2,322)
Flavoxate HCl

>  <Catalog Number> (2,322)
S4027

>  <Synonyms> (2,322)
N/A

>  <Target> (2,322)
AChR

>  <Form> (2,322)
hydrochloride

>  <URL> (2,322)
http://www.selleckchem.com/products/flavoxate-hcl.html

>  <CAS Number> (2,322)
3717-88-2

$$$$
Butein.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6599    3.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    4.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0837    3.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1452    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,323)
2439

>  <Formula> (2,323)
C15H12O5

>  <MolWeight> (2,323)
272.25278

>  <Item Name> (2,323)
Butein

>  <Catalog Number> (2,323)
S8036

>  <Synonyms> (2,323)
N/A

>  <Target> (2,323)
EGFR

>  <Form> (2,323)
Free Base

>  <URL> (2,323)
https://www.selleckchem.com/products/butein.html

>  <CAS Number> (2,323)
487-52-5

$$$$
Mildronate.cdx
csChFnd80/10101813032D

 10  9  0  0  0  0  0  0  0  0999 V2000
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    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1623    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9621    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,324)
2440

>  <Formula> (2,324)
C6H15N2O2+

>  <MolWeight> (2,324)
147.1955

>  <Item Name> (2,324)
Mildronate

>  <Catalog Number> (2,324)
S4130

>  <Synonyms> (2,324)
N/A

>  <Target> (2,324)
Hydroxylase

>  <Form> (2,324)
Free Base

>  <URL> (2,324)
https://www.selleckchem.com/products/mildronate.html

>  <CAS Number> (2,324)
76144-81-5

$$$$
Succinylcholine Chloride Dihydrate.cdx
csChFnd80/10101813032D

 24 19  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    7.8746    4.7803    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,325)
2441

>  <Formula> (2,325)
C14H34Cl2N2O6

>  <MolWeight> (2,325)
397.33556

>  <Item Name> (2,325)
Succinylcholine Chloride Dihydrate

>  <Catalog Number> (2,325)
S4121

>  <Synonyms> (2,325)
Suxamethonium Chloride Dihydrate

>  <Target> (2,325)
AChR

>  <Form> (2,325)
Chloride

>  <URL> (2,325)
https://www.selleckchem.com/products/succinylcholine-suxamethonium-chloride-dihydrate.html

>  <CAS Number> (2,325)
6101-15-1

$$$$
Terbutaline sulfate.cdx
csChFnd80/10101813032D

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   10.1566   11.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 36  2  0  0  0  0
 33 37  2  0  0  0  0
M  END
>  <Mol_ID> (2,326)
2442

>  <Formula> (2,326)
C24H40N2O10S

>  <MolWeight> (2,326)
548.6468

>  <Item Name> (2,326)
Terbutaline Sulfate

>  <Catalog Number> (2,326)
S4127

>  <Synonyms> (2,326)
N/A

>  <Target> (2,326)
Adrenergic Receptor

>  <Form> (2,326)
Sulfate

>  <URL> (2,326)
https://www.selleckchem.com/products/terbutaline-sulfate.html

>  <CAS Number> (2,326)
23031-32-5 

$$$$
AMG-517.cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,340)
2260

>  <Formula> (2,340)
C20H19N5Na2O6

>  <MolWeight> (2,340)
471.3743

>  <Item Name> (2,340)
Pemetrexed

>  <Catalog Number> (2,340)
S1135

>  <Synonyms> (2,340)
LY-231514

>  <Target> (2,340)
DHFR, DNA/RNA Synthesis

>  <Form> (2,340)
Disodium salt

>  <URL> (2,340)
http://www.selleckchem.com/products/Pemetrexed-disodium.html

>  <CAS Number> (2,340)
150399-23-8

$$$$
Gemcitabine hydrochloride.cdx
csChFnd80/10101813032D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0  0  0  0
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  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
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  3 18  1  0  0  0  0
 12 13  1  1  0  0  0
  9  6  1  1  0  0  0
 11 15  1  6  0  0  0
M  END
>  <Mol_ID> (2,341)
2261

>  <Formula> (2,341)
C9H12ClF2N3O4

>  <MolWeight> (2,341)
299.6590864

>  <Item Name> (2,341)
Gemcitabine HCl (Gemzar)

>  <Catalog Number> (2,341)
S1149

>  <Synonyms> (2,341)
Gemzar

>  <Target> (2,341)
DNA/RNA Synthesis

>  <Form> (2,341)
Hydrochloride

>  <URL> (2,341)
http://www.selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

>  <CAS Number> (2,341)
122111-03-9

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/10101813032D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  2 10  1  0  0  0  0
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 11 12  2  0  0  0  0
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M  END
>  <Mol_ID> (2,342)
2262

>  <Formula> (2,342)
C16H15BrClN5O4S

>  <MolWeight> (2,342)
488.7434

>  <Item Name> (2,342)
PIK-75 

>  <Catalog Number> (2,342)
S1205

>  <Synonyms> (2,342)
N/A

>  <Target> (2,342)
PI3K, DNA-PK

>  <Form> (2,342)
Hydrochloride

>  <URL> (2,342)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

>  <CAS Number> (2,342)
372196-77-5

$$$$
Imiquimod.cdx
csChFnd80/10101813032D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 13  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,343)
2263

>  <Formula> (2,343)
C14H16N4

>  <MolWeight> (2,343)
240.30364

>  <Item Name> (2,343)
Imiquimod

>  <Catalog Number> (2,343)
S1211

>  <Synonyms> (2,343)
Aldara

>  <Target> (2,343)
Immunology & Inflammation related

>  <Form> (2,343)
Free Base

>  <URL> (2,343)
http://www.selleckchem.com/products/Imiquimod.html

>  <CAS Number> (2,343)
99011-02-6

$$$$
Bleomycin sulfate.cdx
csChFnd80/10101813032D

102106  0  0  0  0  0  0  0  0999 V2000
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   13.1876    6.3146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,344)
2264

>  <Formula> (2,344)
C55H85N17O25S4

>  <MolWeight> (2,344)
1512.6223

>  <Item Name> (2,344)
Bleomycin sulfate

>  <Catalog Number> (2,344)
S1214

>  <Synonyms> (2,344)
Blenoxane

>  <Target> (2,344)
DNA/RNA Synthesis

>  <Form> (2,344)
Sulfate

>  <URL> (2,344)
http://www.selleckchem.com/products/Bleomycin-sulfate.html

>  <CAS Number> (2,344)
9041-93-4

$$$$
Carboplatin.cdx
csChFnd80/10101813032D

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    3.2875    2.4207    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,345)
2265

>  <Formula> (2,345)
C6H12N2O4Pt

>  <MolWeight> (2,345)
371.24848

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Carboplatin

>  <Catalog Number> (2,345)
S1215

>  <Synonyms> (2,345)
Paraplatin

>  <Target> (2,345)
DNA/RNA Synthesis

>  <Form> (2,345)
Free Base

>  <URL> (2,345)
http://www.selleckchem.com/products/Carboplatin.html

>  <CAS Number> (2,345)
41575-94-4

$$$$
Eloxatin (Oxaliplatin).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,346)
2266

>  <Formula> (2,346)
C8H14N2O4Pt

>  <MolWeight> (2,346)
397.28576

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Oxaliplatin (Eloxatin)

>  <Catalog Number> (2,346)
S1224

>  <Synonyms> (2,346)
Eloxatin

>  <Target> (2,346)
DNA/RNA Synthesis 

>  <Form> (2,346)
Free Base

>  <URL> (2,346)
http://www.selleckchem.com/products/Eloxatin.html

>  <CAS Number> (2,346)
61825-94-3

$$$$
S1037.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,347)
2267

>  <Formula> (2,347)
C25H52NO4P

>  <MolWeight> (2,347)
461.658441

>  <Item Name> (2,347)
Perifosine (KRX-0401)

>  <Catalog Number> (2,347)
S1037

>  <Synonyms> (2,347)
NSC639966

>  <Target> (2,347)
Akt

>  <Form> (2,347)
Free Base

>  <URL> (2,347)
http://www.selleckchem.com/products/Perifosine.html

>  <CAS Number> (2,347)
157716-52-4

$$$$
Camptothecine.cdx
csChFnd80/10101813032D

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    8.2123    3.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4341    1.5967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9589    1.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3512    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1741    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6047    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9206    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1359    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5664    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
  2 15  2  0  0  0  0
  3 16  1  1  0  0  0
 16 17  1  0  0  0  0
  3 18  1  6  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 13  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,348)
2268

>  <Formula> (2,348)
C20H16N2O4

>  <MolWeight> (2,348)
348.35204

>  <Item Name> (2,348)
Camptothecin

>  <Catalog Number> (2,348)
S1288

>  <Synonyms> (2,348)
N/A

>  <Target> (2,348)
Topoisomerase

>  <Form> (2,348)
Free Base

>  <URL> (2,348)
http://www.selleckchem.com/products/Camptothecine.html

>  <CAS Number> (2,348)
7689-03-4

$$$$
Oxibendazole.cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8329    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    3.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    3.8182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5073    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9024    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8097    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,349)
2269

>  <Formula> (2,349)
C12H15N3O3

>  <MolWeight> (2,349)
249.2658

>  <Item Name> (2,349)
Oxibendazole

>  <Catalog Number> (2,349)
S1851

>  <Synonyms> (2,349)
N/A

>  <Target> (2,349)
Others

>  <Form> (2,349)
Free Base

>  <URL> (2,349)
http://www.selleckchem.com/products/oxibendazole.html

>  <CAS Number> (2,349)
20559-55-1

$$$$
D-glutamine.cdx
csChFnd80/10101813032D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  9  2  0  0  0  0
  5 10  1  6  0  0  0
M  END
>  <Mol_ID> (2,350)
2270

>  <Formula> (2,350)
C5H10N2O3

>  <MolWeight> (2,350)
146.1445

>  <Item Name> (2,350)
D-glutamine

>  <Catalog Number> (2,350)
S1893

>  <Synonyms> (2,350)
N/A

>  <Target> (2,350)
GluR

>  <Form> (2,350)
Free Base

>  <URL> (2,350)
http://www.selleckchem.com/products/D-glutamine.html

>  <CAS Number> (2,350)
5959-95-5

$$$$
Irsogladine.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6879    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,351)
2271

>  <Formula> (2,351)
C9H7Cl2N5

>  <MolWeight> (2,351)
256.09138

>  <Item Name> (2,351)
Irsogladine

>  <Catalog Number> (2,351)
S1929

>  <Synonyms> (2,351)
N/A

>  <Target> (2,351)
AChR,PDE

>  <Form> (2,351)
Free Base

>  <URL> (2,351)
http://www.selleckchem.com/products/Irsogladine-maleate.html

>  <CAS Number> (2,351)
57381-26-7

$$$$
Danofloxacin mesylate.cdx
csChFnd80/10101813032D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.2474    5.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4337    4.7510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2577    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9512    4.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4337    3.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6567    5.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4600    7.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9930    7.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7386    5.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1183    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8537    2.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6567    6.8572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4600    8.9687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7282    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6357    4.6045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8692    7.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4842    7.5419    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1775    5.0749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9877    5.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0713    6.8258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8692    8.9424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    7.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7507    4.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033    5.6707    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1863    5.0384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1236    3.8519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6723    6.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9895    1.3903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3641    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6045    1.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9895    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9895    2.7440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 12  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 27  1  1  0  0  0
 19 24  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  6  0  0  0
 25 26  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (2,352)
2272

>  <Formula> (2,352)
C20H24FN3O6S

>  <MolWeight> (2,352)
453.4844632

>  <Item Name> (2,352)
Danofloxacin Mesylate

>  <Catalog Number> (2,352)
S3058

>  <Synonyms> (2,352)
N/A

>  <Target> (2,352)
Antifection

>  <Form> (2,352)
Mesylate

>  <URL> (2,352)
http://www.selleckchem.com/products/danofloxacin-mesylate.html

>  <CAS Number> (2,352)
119478-55-6

$$$$
Pamidronate Disodium.cdx
csChFnd80/10101813032D

 15 12  0  0  0  0  0  0  0  0999 V2000
    3.7772    1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1772    1.5748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    2.9748    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.5647    2.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0726    0.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    3.6748    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5647    3.6748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    4.3748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2886    2.1874    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.8886    2.1874    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,353)
2273

>  <Formula> (2,353)
C3H9NNa2O7P2

>  <MolWeight> (2,353)
279.033122

>  <Item Name> (2,353)
Pamidronate Disodium

>  <Catalog Number> (2,353)
S1311

>  <Synonyms> (2,353)
Aredia

>  <Target> (2,353)
Others

>  <Form> (2,353)
Disodium salt

>  <URL> (2,353)
http://www.selleckchem.com/products/Pamidronate-Disodium.html

>  <CAS Number> (2,353)
57248-88-1

$$$$
Ellagic acid.cdx
csChFnd80/10101813032D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16  1  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  3 19  2  0  0  0  0
  9 20  1  0  0  0  0
  8 21  1  0  0  0  0
 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,354)
2274

>  <Formula> (2,354)
C14H6O8

>  <MolWeight> (2,354)
302.19264

>  <Item Name> (2,354)
Ellagic acid

>  <Catalog Number> (2,354)
S1327

>  <Synonyms> (2,354)
N/A

>  <Target> (2,354)
Topoisomerases

>  <Form> (2,354)
Free Base

>  <URL> (2,354)
http://www.selleckchem.com/products/Ellagic-acid.html

>  <CAS Number> (2,354)
476-66-4

$$$$
Gabapentin hcl.cdx
csChFnd80/10101813032D

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    4.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689    4.5599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    1.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    0.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3080    2.4150    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,355)
2275

>  <Formula> (2,355)
C9H18ClNO2

>  <MolWeight> (2,355)
207.69772

>  <Item Name> (2,355)
Gabapentin Hydrochloride

>  <Catalog Number> (2,355)
S1338

>  <Synonyms> (2,355)
Gabarone, Neurontin

>  <Target> (2,355)
GABA Receptor

>  <Form> (2,355)
Hydrochloride

>  <URL> (2,355)
http://www.selleckchem.com/products/Gabapentin.html

>  <CAS Number> (2,355)
60142-95-2

$$$$
Galanthamine hydrobromide.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.1927    4.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    5.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    5.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3927    4.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    2.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    2.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5621    4.4562    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7085    5.8486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4295    6.4180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6947    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9737    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9874    6.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    6.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3946    6.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    1.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2621    3.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2621    1.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5450    1.3779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7634    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6984    2.2839    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  1  0  0  0
  6 17  1  0  0  0  0
  7 18  1  6  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,356)
2276

>  <Formula> (2,356)
C17H22BrNO3

>  <MolWeight> (2,356)
368.26548

>  <Item Name> (2,356)
Galanthamine hydrobromide

>  <Catalog Number> (2,356)
S1339

>  <Synonyms> (2,356)
Reminyl

>  <Target> (2,356)
AChR
mAChRs

>  <Form> (2,356)
Hydrobromide

>  <URL> (2,356)
http://www.selleckchem.com/products/Galanthamine-hydrobromide.html

>  <CAS Number> (2,356)
1953-04-4

$$$$
Granisetron Hydrochloride.cdx
csChFnd80/10101813032D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.9899    4.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    5.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    6.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    7.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    7.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5164    4.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6044    5.2444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027    6.5514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625    7.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5894    2.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193    2.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8325    2.3368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0025    3.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7025    1.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0569    2.2390    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4030    1.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7031    3.0966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3486    2.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9155    2.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    3.5913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8083    4.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1030    0.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6854    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 18  1  0  0  0  0
 21 22  1  0  0  0  0
 17 23  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,357)
2277

>  <Formula> (2,357)
C18H25ClN4O

>  <MolWeight> (2,357)
348.8703

>  <Item Name> (2,357)
Granisetron HCl

>  <Catalog Number> (2,357)
S1345

>  <Synonyms> (2,357)
Kytril

>  <Target> (2,357)
5-HT Receptor

>  <Form> (2,357)
Hydrochloride

>  <URL> (2,357)
http://www.selleckchem.com/products/Granisetron-Hydrochloride.html

>  <CAS Number> (2,357)
107007-99-8

$$$$
Ketoconazole.cdx
csChFnd80/10101813032D

 36 40  0  0  0  0  0  0  0  0999 V2000
    5.3005   11.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9382    9.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9281    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    9.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6428   10.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6528   11.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3140   12.0096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764   13.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6864   14.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3341   13.9895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9718   12.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9617   11.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476   14.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7087   16.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2669    8.0566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6145    8.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6045    7.4278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6045    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9360    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7589    6.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9360    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1484    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3566    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6356    5.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5724    6.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8724    7.2761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5030    6.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9360    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7235    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7235    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9360    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1484    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1484    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3566    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.9360    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
 20 23  1  1  0  0  0
 20 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 34 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (2,358)
2278

>  <Formula> (2,358)
C26H28Cl2N4O4

>  <MolWeight> (2,358)
531.43092

>  <Item Name> (2,358)
Ketoconazole

>  <Catalog Number> (2,358)
S1353

>  <Synonyms> (2,358)
Nizoral, Extina, Xolegel, Kuric

>  <Target> (2,358)
P450

>  <Form> (2,358)
Free Base

>  <URL> (2,358)
http://www.selleckchem.com/products/Ketoconazole.html

>  <CAS Number> (2,358)
65277-42-1

$$$$
bms-707035.cdx
csChFnd80/10101813032D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.6406    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    0.8624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,359)
2279

>  <Formula> (2,359)
C18H11N3O2S

>  <MolWeight> (2,359)
333.36384

>  <Item Name> (2,359)
GSK1059615

>  <Catalog Number> (2,359)
S1360

>  <Synonyms> (2,359)
N/A

>  <Target> (2,359)
PI3K, mTOR

>  <Form> (2,359)
Free Base

>  <URL> (2,359)
http://www.selleckchem.com/products/GSK1059615.html

>  <CAS Number> (2,359)
958852-01-2

$$$$
Cefoselis sulfate.cdx
csChFnd80/10101813032D

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 37 40  2  0  0  0  0
 37 41  2  0  0  0  0
M  END
>  <Mol_ID> (2,360)
2280

>  <Formula> (2,360)
C19H24N8O10S3

>  <MolWeight> (2,360)
620.63646

>  <Item Name> (2,360)
Cefoselis sulfate

>  <Catalog Number> (2,360)
S1371

>  <Synonyms> (2,360)
N/A

>  <Target> (2,360)
Others

>  <Form> (2,360)
Sulfate

>  <URL> (2,360)
http://www.selleckchem.com/products/Cefoselis-sulfate.html

>  <CAS Number> (2,360)
122841-12-7

$$$$
Dorzolamide HCL.cdx
csChFnd80/10101813032D

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6331    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,361)
2281

>  <Formula> (2,361)
C10H17ClN2O4S3

>  <MolWeight> (2,361)
360.90098

>  <Item Name> (2,361)
Dorzolamide HCL

>  <Catalog Number> (2,361)
S1375

>  <Synonyms> (2,361)
Trusopt, Cosopt

>  <Target> (2,361)
Carbonic Anhydrase

>  <Form> (2,361)
Hydrochloride

>  <URL> (2,361)
http://www.selleckchem.com/products/Dorzolamide-HCL.html

>  <CAS Number> (2,361)
130693-82-2

$$$$
Mizoribine.cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,362)
2282

>  <Formula> (2,362)
C9H13N3O6

>  <MolWeight> (2,362)
259.21602

>  <Item Name> (2,362)
Mizoribine (Bredinin)

>  <Catalog Number> (2,362)
S1384

>  <Synonyms> (2,362)
HE 69

>  <Target> (2,362)
DNA/RNA Synthesis

>  <Form> (2,362)
Free Base

>  <URL> (2,362)
http://www.selleckchem.com/products/Mizoribine.html

>  <CAS Number> (2,362)
50924-49-7

$$$$
S3003 Dinoprostone.cdx
csChFnd80/10101813032D

 25 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,363)
2283

>  <Formula> (2,363)
C20H32O5

>  <MolWeight> (2,363)
352.46508

>  <Item Name> (2,363)
Dinoprostone

>  <Catalog Number> (2,363)
S3003

>  <Form> (2,363)
free base

>  <CAS Number> (2,363)
363-24-6

$$$$
Risedronate sodium.cdx
csChFnd80/10101813032D

 18 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,364)
2284

>  <Formula> (2,364)
C7H10NNaO7P2

>  <MolWeight> (2,364)
305.094092

>  <Item Name> (2,364)
Risedronate sodium

>  <Catalog Number> (2,364)
S1428

>  <Synonyms> (2,364)
Actonel

>  <Target> (2,364)
Others

>  <Form> (2,364)
Sodium salt

>  <URL> (2,364)
http://www.selleckchem.com/products/Risedronate-sodium.html

>  <CAS Number> (2,364)
115436-72-1

$$$$
Varenicline tartrate.cdx
csChFnd80/10101813032D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,365)
2285

>  <Formula> (2,365)
C17H19N3O6

>  <MolWeight> (2,365)
361.34926

>  <Item Name> (2,365)
Varenicline tartrate

>  <Catalog Number> (2,365)
S1440

>  <Synonyms> (2,365)
Chantix, Champix

>  <Target> (2,365)
AChR

>  <Form> (2,365)
Tartrate

>  <URL> (2,365)
http://www.selleckchem.com/products/Varenicline-tartrate.html

>  <CAS Number> (2,365)
375815-87-5

$$$$
Marbofloxacin.cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,366)
2286

>  <Formula> (2,366)
C17H19FN4O4

>  <MolWeight> (2,366)
362.3555632

>  <Item Name> (2,366)
Marbofloxacin

>  <Catalog Number> (2,366)
S1464

>  <Synonyms> (2,366)
Marbocyl, Zeniquin

>  <Target> (2,366)
Topoisomerase

>  <Form> (2,366)
Free Base

>  <URL> (2,366)
http://www.selleckchem.com/products/Marbofloxacin.html

>  <CAS Number> (2,366)
115550-35-1

$$$$
LY2228820.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,367)
2287

>  <Formula> (2,367)
C26H37FN6O6S2

>  <MolWeight> (2,367)
612.7369832

>  <Item Name> (2,367)
LY2228820

>  <Catalog Number> (2,367)
S1494

>  <Synonyms> (2,367)
N/A

>  <Target> (2,367)
p38 MAPK

>  <Form> (2,367)
Dimesylate

>  <URL> (2,367)
http://www.selleckchem.com/products/LY2228820.html

>  <CAS Number> (2,367)
862507-23-1

$$$$
ACEON (perindopril erbumine).cdx
csChFnd80/10101813032D

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>  <Formula> (2,368)
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>  <MolWeight> (2,368)
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>  <Item Name> (2,368)
Perindopril Erbumine (Aceon)

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S1506

>  <Synonyms> (2,368)
Perindopril, Coversyl

>  <Target> (2,368)
RAAS

>  <Form> (2,368)
t-Butylamine

>  <URL> (2,368)
http://www.selleckchem.com/products/Perindopril-Erbumine(Aceon).html

>  <CAS Number> (2,368)
107133-36-8

$$$$
IRBESARTAN (irbesartan).cdx
csChFnd80/10101813032D

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C25H28N6O

>  <MolWeight> (2,369)
428.52942

>  <Item Name> (2,369)
Irbesartan (Avapro)

>  <Catalog Number> (2,369)
S1507

>  <Synonyms> (2,369)
BMS-186295, SR-47436                                                                          

>  <Target> (2,369)
RAAS

>  <Form> (2,369)
Free Base

>  <URL> (2,369)
http://www.selleckchem.com/products/Irbesartan(Avapro).html

>  <CAS Number> (2,369)
138402-11-6

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,370)
2290

>  <Formula> (2,370)
C16H18FN3O3

>  <MolWeight> (2,370)
319.3308232

>  <Item Name> (2,370)
Norfloxacin (Norxacin)

>  <Catalog Number> (2,370)
S1509

>  <Synonyms> (2,370)
Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin 

>  <Target> (2,370)
Others

>  <Form> (2,370)
Free Base

>  <URL> (2,370)
http://www.selleckchem.com/products/Norfloxacin(Norxacin).html

>  <CAS Number> (2,370)
70458-96-7

$$$$
Cidofovir .cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,371)
2291

>  <Formula> (2,371)
C8H14N3O6P

>  <MolWeight> (2,371)
279.187021

>  <Item Name> (2,371)
Cidofovir (Vistide)

>  <Catalog Number> (2,371)
S1516

>  <Synonyms> (2,371)
Vistide

>  <Target> (2,371)
Others

>  <Form> (2,371)
Free Base

>  <URL> (2,371)
http://www.selleckchem.com/products/Cidofovir.html

>  <CAS Number> (2,371)
113852-37-2

$$$$
NEOPROFEN (ibuprofen lysine).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,372)
2292

>  <Formula> (2,372)
C19H32N2O4

>  <MolWeight> (2,372)
352.46838

>  <Item Name> (2,372)
Ibuprofen Lysine (NeoProfen)

>  <Catalog Number> (2,372)
S1518

>  <Synonyms> (2,372)
NeoProfen

>  <Target> (2,372)
COX

>  <Form> (2,372)
Lysine

>  <URL> (2,372)
http://www.selleckchem.com/products/Ibuprofen-Lysine(Motrin).html

>  <CAS Number> (2,372)
57469-77-9

$$$$
CCT129202.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,373)
2293

>  <Formula> (2,373)
C23H25ClN8OS

>  <MolWeight> (2,373)
497.0156

>  <Item Name> (2,373)
CCT129202

>  <Catalog Number> (2,373)
S1519

>  <Synonyms> (2,373)
N/A

>  <Target> (2,373)
Aurora Kinase

>  <Form> (2,373)
Free Base

>  <URL> (2,373)
http://www.selleckchem.com/products/CCT129202.html

>  <CAS Number> (2,373)
942947-93-5

$$$$
Tripelennamine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,374)
2294

>  <Formula> (2,374)
C16H22ClN3

>  <MolWeight> (2,374)
291.81898

>  <Item Name> (2,374)
Tripelennamine HCl

>  <Catalog Number> (2,374)
S3146

>  <Synonyms> (2,374)
N/A 

>  <Target> (2,374)
Histamine Receptor

>  <Form> (2,374)
HCl

>  <URL> (2,374)
http://www.selleckchem.com/products/tripelennamine-hydrochloride.html

>  <CAS Number> (2,374)
154-69-8

$$$$

csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,375)
2295

>  <Formula> (2,375)
C28H38N12O6S

>  <MolWeight> (2,375)
670.74312

>  <Item Name> (2,375)
Abacavir sulfate

>  <Catalog Number> (2,375)
S3165

>  <Synonyms> (2,375)
N/A 

>  <Target> (2,375)
Reverse Transcriptase

>  <Form> (2,375)
Sulfate

>  <URL> (2,375)
http://www.selleckchem.com/products/abacavir-sulfate.html

>  <CAS Number> (2,375)
188062-50-2

$$$$
Amikacin hydrate.cdx
csChFnd80/10101813032D

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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  6  0  0  0
  3  8  1  6  0  0  0
  6  9  1  1  0  0  0
  2 10  1  1  0  0  0
  8 11  1  0  0  0  0
  5 12  1  0  0  0  0
 13 12  1  1  0  0  0
  5 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 18 20  1  1  0  0  0
 15 21  1  6  0  0  0
 19 22  1  6  0  0  0
 17 23  1  6  0  0  0
 23 24  1  0  0  0  0
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 28 29  1  0  0  0  0
 25 30  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 35 37  1  1  0  0  0
 31 38  1  1  0  0  0
 36 39  1  6  0  0  0
 32 40  1  6  0  0  0
 37 41  1  0  0  0  0
 20 33  1  0  0  0  0
A   42
R
M  END
>  <Mol_ID> (2,376)
2296

>  <Formula> (2,376)
C22H45N5O14R

>  <MolWeight> (2,376)
603.6178

>  <Item Name> (2,376)
Amikacin hydrate

>  <Catalog Number> (2,376)
S3122

>  <Synonyms> (2,376)
N/A 

>  <Target> (2,376)
Antifection

>  <Form> (2,376)
Hydrate

>  <URL> (2,376)
http://www.selleckchem.com/products/amikacin-hydrate.html

>  <CAS Number> (2,376)
1257517-67-1

$$$$
RISPERIDONE (risperidone).cdx
csChFnd80/10101813032D

 30 34  0  0  0  0  0  0  0  0999 V2000
   12.6402    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6402    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0651    4.4785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0651    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    6.5785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2775    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4900    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4900    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2775    6.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4320    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4320    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2238    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0155    3.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8031    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5907    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5907    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8031    1.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0155    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3824    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1035    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2361    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014    3.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3647    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1251    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  2  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,377)
2297

>  <Formula> (2,377)
C23H27FN4O2

>  <MolWeight> (2,377)
410.4844832

>  <Item Name> (2,377)
Risperidone (Risperdal)

>  <Catalog Number> (2,377)
S1615

>  <Synonyms> (2,377)
R 64 766, Risperdal

>  <Target> (2,377)
5-HT Receptor

>  <Form> (2,377)
Free Base

>  <URL> (2,377)
http://www.selleckchem.com/products/Risperidone(Risperdal).html

>  <CAS Number> (2,377)
106266-06-2

$$$$
ALENDRONATE SODIUM (alendronate sodium).cdx
csChFnd80/10101813032D

 18 13  0  0  0  0  0  0  0  0999 V2000
    2.8316    3.0899    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0440    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2565    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4647    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6729    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8811    2.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8215    4.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192    3.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8416    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.4064    1.0377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0641    0.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0340    3.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5833   26.2775    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    8.0686   12.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686   12.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3686   11.1658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,378)
2298

>  <Formula> (2,378)
C4H19NNaO10P2

>  <MolWeight> (2,378)
326.131652

>  <Item Name> (2,378)
Alendronate sodium trihydrate

>  <Catalog Number> (2,378)
S1624

>  <Synonyms> (2,378)
N/A

>  <Target> (2,378)
Others

>  <Form> (2,378)
Sodium Salt

>  <URL> (2,378)
http://www.selleckchem.com/products/Alendronate-Sodium(Fosamax).html

>  <CAS Number> (2,378)
121268-17-5

$$$$
Oxacillin sodium monohydrate.cdx
csChFnd80/10101813032D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.7353    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8679    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4353    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    4.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    5.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    5.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1948    0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2553    3.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6428    3.1372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6879    4.5576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    4.2659    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8629    4.2659    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8629    5.6659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    5.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    3.8333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0172    4.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    6.0986    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4763    6.6524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2297    5.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2297    4.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6255    7.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6446    2.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    8.4622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9901    7.7155    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.1396    7.6708    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.1784    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 14  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 16  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  1  0  0  0
 17 27  1  1  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,379)
2299

>  <Formula> (2,379)
C19H20N3NaO6S

>  <MolWeight> (2,379)
441.43337

>  <Item Name> (2,379)
Oxacillin sodium monohydrate

>  <Catalog Number> (2,379)
S2563

>  <Synonyms> (2,379)
N/A

>  <Target> (2,379)
Antifection

>  <Form> (2,379)
Sodium Salt & hydrate

>  <URL> (2,379)
http://www.selleckchem.com/products/Oxacillin-sodium-monohydrate.html

>  <CAS Number> (2,379)
7240-38-2

$$$$
ALDOMET (methyldopa).cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3682    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 10 15  1  6  0  0  0
M  END
>  <Mol_ID> (2,380)
2300

>  <Formula> (2,380)
C10H13NO4

>  <MolWeight> (2,380)
211.21452

>  <Item Name> (2,380)
Methyldopa (Aldomet)

>  <Catalog Number> (2,380)
S1642

>  <Synonyms> (2,380)
Aldoril 

>  <Target> (2,380)
Others

>  <Form> (2,380)
Free Base

>  <URL> (2,380)
http://www.selleckchem.com/products/Methyldopa(Aldomet).html

>  <CAS Number> (2,380)
555-30-6

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.6315    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6315    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    5.7555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4233    5.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    5.7531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4233    2.9579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1443    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    2.4870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9075    1.2745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2769    1.5656    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8200    2.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3137    0.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (2,381)
2301

>  <Formula> (2,381)
C9H13N3O5

>  <MolWeight> (2,381)
243.21662

>  <Item Name> (2,381)
Cytarabine

>  <Catalog Number> (2,381)
S1648

>  <Synonyms> (2,381)
N/A 

>  <Target> (2,381)
Others

>  <Form> (2,381)
Free Base

>  <URL> (2,381)
http://www.selleckchem.com/products/Cytarabine(Cytosar-U).html

>  <CAS Number> (2,381)
147-94-4

$$$$
DEMADEX (torsemide).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,382)
2302

>  <Formula> (2,382)
C16H20N4O3S

>  <MolWeight> (2,382)
348.42

>  <Item Name> (2,382)
Torsemide (Demadex)

>  <Catalog Number> (2,382)
S1698

>  <Synonyms> (2,382)
Demadex

>  <Target> (2,382)
Others

>  <Form> (2,382)
Free Base

>  <URL> (2,382)
http://www.selleckchem.com/products/Torsemide(Demadex).html

>  <CAS Number> (2,382)
56211-40-6

$$$$
EPLERENONE (eplerenone).cdx
csChFnd80/10101813032D

 32 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,383)
2303

>  <Formula> (2,383)
C24H30O6

>  <MolWeight> (2,383)
414.4914

>  <Item Name> (2,383)
Eplerenone

>  <Catalog Number> (2,383)
S1707

>  <Synonyms> (2,383)
Inspra

>  <Target> (2,383)
Glucocorticoid Receptor

>  <Form> (2,383)
Free Base

>  <URL> (2,383)
http://www.selleckchem.com/products/Eplerenone(Inspra).html

>  <CAS Number> (2,383)
107724-20-9

$$$$
SOLATENE (beta carotene).cdx
csChFnd80/10101813032D

 40 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,384)
2304

>  <Formula> (2,384)
C40H56

>  <MolWeight> (2,384)
536.87264

>  <Item Name> (2,384)
Beta Carotene

>  <Catalog Number> (2,384)
S1767

>  <Synonyms> (2,384)
¦Â,¦Â-Carotene, Provitamin A, Solatene, ¦Â-Carotene 

>  <Target> (2,384)
Others

>  <Form> (2,384)
Free Base

>  <URL> (2,384)
http://www.selleckchem.com/products/Beta-Carotene.html

>  <CAS Number> (2,384)
7235-40-7

$$$$
Deferiprone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,385)
2305

>  <Formula> (2,385)
C7H9NO2

>  <MolWeight> (2,385)
139.15186

>  <Item Name> (2,385)
Deferiprone

>  <Catalog Number> (2,385)
S4067

>  <Synonyms> (2,385)
N/A

>  <Target> (2,385)
Others

>  <Form> (2,385)
Free Base

>  <URL> (2,385)
http://www.selleckchem.com/products/deferiprone.html

>  <CAS Number> (2,385)
30652-11-0

$$$$
Levamisole Hydrochloride.cdx
csChFnd80/10101813032D

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  8  4  1  0  0  0  0
  1  9  1  0  0  0  0
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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  1 15  1  1  0  0  0
M  END
>  <Mol_ID> (2,386)
2306

>  <Formula> (2,386)
C11H13ClN2S

>  <MolWeight> (2,386)
240.75232

>  <Item Name> (2,386)
(-)-Tetramisole 

>  <Catalog Number> (2,386)
S1939

>  <Synonyms> (2,386)
Ergamisol

>  <Target> (2,386)
Immunology & Inflammation related

>  <Form> (2,386)
Hydrochloride

>  <URL> (2,386)
http://www.selleckchem.com/products/Levamisole-Hydrochloride(Ergamisol).html

>  <CAS Number> (2,386)
16595-80-5 

$$$$
SEROMYCIN (cycloserine).cdx
csChFnd80/10101813032D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.1326    3.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    1.3315    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5921    1.7626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  6  0  0  0
M  END
>  <Mol_ID> (2,387)
2307

>  <Formula> (2,387)
C3H6N2O2

>  <MolWeight> (2,387)
102.09194

>  <Item Name> (2,387)
D-Cycloserine

>  <Catalog Number> (2,387)
S1998

>  <Synonyms> (2,387)
Seromycin

>  <Target> (2,387)
Antifection

>  <Form> (2,387)
Free Base

>  <URL> (2,387)
http://www.selleckchem.com/products/D-Cycloserine.html

>  <CAS Number> (2,387)
68-41-7

$$$$
Sodium butyrate.cdx
csChFnd80/10101813032D

  7  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (2,388)
2308

>  <Formula> (2,388)
C4H7NaO2

>  <MolWeight> (2,388)
110.08695

>  <Item Name> (2,388)
Sodium butyrate

>  <Catalog Number> (2,388)
S1999

>  <Synonyms> (2,388)
Butyric acid sodium salt

>  <Target> (2,388)
HDAC

>  <Form> (2,388)
Sodium Salt

>  <URL> (2,388)
http://www.selleckchem.com/products/Sodium-butyrate.html

>  <CAS Number> (2,388)
156-54-7

$$$$
Sodium orthovanadate.cdx
csChFnd80/10101813032D

  8  4  0  0  0  0  0  0  0  0999 V2000
    0.7000    2.0951    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1000    2.0951    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.0951    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1000    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.7000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4780    1.1175    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.0780    1.1175    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.7780   -0.2825    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (2,389)
2309

>  <Formula> (2,389)
Na3O4V

>  <MolWeight> (2,389)
183.90841

>  <Item Name> (2,389)
Sodium orthovanadate

>  <Catalog Number> (2,389)
S2000

>  <Synonyms> (2,389)
N/A

>  <Target> (2,389)
ATPase

>  <Form> (2,389)
Sodium Salt

>  <URL> (2,389)
http://www.selleckchem.com/products/Sodium-orthovanadate.html

>  <CAS Number> (2,389)
13721-39-6

$$$$
Taurine.cdx
csChFnd80/10101813032D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (2,390)
2310

>  <Formula> (2,390)
C2H7NO3S

>  <MolWeight> (2,390)
125.14688

>  <Item Name> (2,390)
Taurine

>  <Catalog Number> (2,390)
S2008

>  <Synonyms> (2,390)
2-Aminoethanesulfonic acid

>  <Target> (2,390)
Others

>  <Form> (2,390)
Free Base

>  <URL> (2,390)
http://www.selleckchem.com/products/Taurine.html

>  <CAS Number> (2,390)
107-35-7

$$$$
Rheochrysidin.cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
  1 16  1  0  0  0  0
 10 17  2  0  0  0  0
  7 18  2  0  0  0  0
 11 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,391)
2311

>  <Formula> (2,391)
C16H12O5

>  <MolWeight> (2,391)
284.26348

>  <Item Name> (2,391)
Rheochrysidin (Physcione)

>  <Catalog Number> (2,391)
S2395

>  <Synonyms> (2,391)
Physcion, Physcione, Parietin, Emodin 3-methyl ether, NSC 251670 

>  <Target> (2,391)
Others

>  <Form> (2,391)
Free Base

>  <URL> (2,391)
http://www.selleckchem.com/products/Rheochrysidin-Physcione.html

>  <CAS Number> (2,391)
521-61-9

$$$$
Fudosteine.cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,392)
2312

>  <Formula> (2,392)
C6H13NO3S

>  <MolWeight> (2,392)
179.23732

>  <Item Name> (2,392)
Fudosteine

>  <Catalog Number> (2,392)
S2129

>  <Synonyms> (2,392)
N/A

>  <Target> (2,392)
Others

>  <Form> (2,392)
Free Base

>  <URL> (2,392)
http://www.selleckchem.com/products/Fudosteine.html

>  <CAS Number> (2,392)
13189-98-5

$$$$
NEURONTIN (gabapentin).cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,393)
2313

>  <Formula> (2,393)
C9H17NO2

>  <MolWeight> (2,393)
171.23678

>  <Item Name> (2,393)
Gabapentin (Neurontin)

>  <Catalog Number> (2,393)
S2133

>  <Synonyms> (2,393)
Fanatrex, Gabarone, Neurontin

>  <Target> (2,393)
GABA Receptor

>  <Form> (2,393)
Free Base

>  <URL> (2,393)
http://www.selleckchem.com/products/Gabapentin(Neurontin).html

>  <CAS Number> (2,393)
60142-96-3

$$$$
Creatinine.cdx
csChFnd80/10101813032D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4641    0.3903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.2229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6870    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,394)
2314

>  <Formula> (2,394)
C4H7N3O

>  <MolWeight> (2,394)
113.11788

>  <Item Name> (2,394)
Creatinine

>  <Catalog Number> (2,394)
S3102

>  <Synonyms> (2,394)
N/A 

>  <Target> (2,394)
Others

>  <Form> (2,394)
Free Base

>  <URL> (2,394)
http://www.selleckchem.com/products/creatinine.html

>  <CAS Number> (2,394)
60-27-5

$$$$
Neratinib.cdx
csChFnd80/10101813032D

 40 43  0  0  0  0  0  0  0  0999 V2000
    7.2536    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    9.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8371    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,395)
2315

>  <Formula> (2,395)
C30H29ClN6O3

>  <MolWeight> (2,395)
557.04266

>  <Item Name> (2,395)
Neratinib (HKI-272)

>  <Catalog Number> (2,395)
S2150

>  <Synonyms> (2,395)
N/A 

>  <Target> (2,395)
HER2, EGFR

>  <Form> (2,395)
Free Base

>  <URL> (2,395)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

>  <CAS Number> (2,395)
698387-09-6

$$$$
R 788.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,396)
2316

>  <Formula> (2,396)
C23H24FN6Na2O9P

>  <MolWeight> (2,396)
624.4231642

>  <Item Name> (2,396)
R935788 (Fostamatinib disodium)

>  <Catalog Number> (2,396)
S2206

>  <Synonyms> (2,396)
N/A 

>  <Target> (2,396)
Syk

>  <Form> (2,396)
Sodium Salt

>  <URL> (2,396)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

>  <CAS Number> (2,396)
1025687-58-4

$$$$
(-)-Huperzine A.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2889    4.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,397)
2317

>  <Formula> (2,397)
C15H18N2O

>  <MolWeight> (2,397)
242.31622

>  <Item Name> (2,397)
(-)-Huperzine A (HupA)

>  <Catalog Number> (2,397)
S2251

>  <Synonyms> (2,397)
N/A

>  <Target> (2,397)
AChR & GluR

>  <Form> (2,397)
Free Base

>  <URL> (2,397)
http://www.selleckchem.com/products/(-)-Huperzine-A.html

>  <CAS Number> (2,397)
102518-79-6

$$$$
Diosmin.cdx
csChFnd80/10101813032D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,398)
2318

>  <Formula> (2,398)
C28H32O15

>  <MolWeight> (2,398)
608.54468

>  <Item Name> (2,398)
Diosmin

>  <Catalog Number> (2,398)
S2292

>  <Synonyms> (2,398)
N/A

>  <Target> (2,398)
Others

>  <Form> (2,398)
Free Base

>  <URL> (2,398)
http://www.selleckchem.com/products/Diosmin.html

>  <CAS Number> (2,398)
520-27-4

$$$$
Donepezil HCl.cdx
csChFnd80/10101813032D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.7927    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1295    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4085    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2621    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.8041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    6.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2989    3.0259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8787    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8787    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9442    5.5606    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,399)
2319

>  <Formula> (2,399)
C24H30ClNO3

>  <MolWeight> (2,399)
415.9529

>  <Item Name> (2,399)
Donepezil HCl (Aricept)

>  <Catalog Number> (2,399)
S2462

>  <Synonyms> (2,399)
N/A 

>  <Target> (2,399)
AChR

>  <Form> (2,399)
Hydrochloride

>  <URL> (2,399)
http://www.selleckchem.com/products/Donepezil-hydrochloride(Aricept).html

>  <CAS Number> (2,399)
120011-70-3

$$$$
Itraconazole.cdx
csChFnd80/10101813032D

 49 55  0  0  0  0  0  0  0  0999 V2000
   13.1467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6516    2.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6321    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    1.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    2.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    3.6075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    4.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0239    0.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9152    1.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.1897    1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3184    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9540    4.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5589    4.1158    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7360    5.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4045    4.8158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4045    3.4158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7360    2.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421    6.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    4.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    5.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    3.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    3.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    2.1146    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3676    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0287    7.1546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4114    6.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0470    8.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    9.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8096    8.5373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  8 30  1  0  0  0  0
 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 31  1  0  0  0  0
 33 36  1  1  0  0  0
 33 37  1  6  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 42 43  1  0  0  0  0
 40 44  1  0  0  0  0
 36 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 45  1  0  0  0  0
M  END
>  <Mol_ID> (2,400)
2320

>  <Formula> (2,400)
C35H38Cl2N8O4

>  <MolWeight> (2,400)
705.63342

>  <Item Name> (2,400)
Itraconazole (Sporanox)

>  <Catalog Number> (2,400)
S2476

>  <Synonyms> (2,400)
Sporanox

>  <Target> (2,400)
P450 (e.g. CYP17)

>  <Form> (2,400)
Free Base

>  <URL> (2,400)
http://www.selleckchem.com/products/Itraconazole(Sporanox).html

>  <CAS Number> (2,400)
84625-61-6

$$$$
Neostigmine bromide.cdx
csChFnd80/10101813032D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4429    0.6951    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,401)
2321

>  <Formula> (2,401)
C12H19BrN2O2

>  <MolWeight> (2,401)
303.19546

>  <Item Name> (2,401)
Neostigmine bromide (Prostigmin)

>  <Catalog Number> (2,401)
S2490

>  <Synonyms> (2,401)
Prostigmin, Vagostigmin

>  <Target> (2,401)
AChR

>  <Form> (2,401)
Bromide

>  <URL> (2,401)
http://www.selleckchem.com/products/Neostigmine-bromide(Prostigmin).html

>  <CAS Number> (2,401)
114-80-7

$$$$
Salbutamol sulfate.cdx
csChFnd80/10101813032D

 22 21  0  0  0  0  0  0  0  0999 V2000
    6.0664    5.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    5.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    6.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    6.1683    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6415    5.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    7.5683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    6.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    5.4683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    3.3634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    5.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    6.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5757    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5757    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5757    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1757    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9757    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,402)
2322

>  <Formula> (2,402)
C13H23NO7S

>  <MolWeight> (2,402)
337.38922

>  <Item Name> (2,402)
Salbutamol sulfate (Albuterol)

>  <Catalog Number> (2,402)
S2507

>  <Synonyms> (2,402)
Albuterol, Ventolin, Aerolin, Ventorlin, Asthalin, Asthavent

>  <Target> (2,402)
Adrenergic Receptor

>  <Form> (2,402)
Sulfate

>  <URL> (2,402)
http://www.selleckchem.com/products/Salbutamol-sulfate(Albuterol).html

>  <CAS Number> (2,402)
51022-70-9

$$$$
Methacycline hydrochloride.cdx
csChFnd80/10101813032D

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.8771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,403)
2323

>  <Formula> (2,403)
C22H23ClN2O8

>  <MolWeight> (2,403)
478.87962

>  <Item Name> (2,403)
Methacycline hydrochloride (Physiomycine)

>  <Catalog Number> (2,403)
S2527

>  <Synonyms> (2,403)
Adriamicina, Ciclobiotic, Germiciclin, Londomycin, Metacyclin hydrochloride, Metadomus, Methacycline 

>  <Target> (2,403)
Antifection

>  <Form> (2,403)
Hydrochloride 

>  <URL> (2,403)
http://www.selleckchem.com/products/Methacycline-hydrochloride-Physiomycine.html

>  <CAS Number> (2,403)
3963-95-9

$$$$
7-Aminocephalosporanic acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,404)
2324

>  <Formula> (2,404)
C10H12N2O5S

>  <MolWeight> (2,404)
272.27768

>  <Item Name> (2,404)
7-Aminocephalosporanic acid

>  <Catalog Number> (2,404)
S2530

>  <Synonyms> (2,404)
7-ACA 

>  <Target> (2,404)
Others

>  <Form> (2,404)
Free Base

>  <URL> (2,404)
http://www.selleckchem.com/products/7-Aminocephalosporanic-acid.html

>  <CAS Number> (2,404)
957-68-6

$$$$
ly404039.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,405)
2325

>  <Formula> (2,405)
C7H9NO6S

>  <MolWeight> (2,405)
235.21446

>  <Item Name> (2,405)
LY2140023 (LY404039)

>  <Catalog Number> (2,405)
S6001

>  <Synonyms> (2,405)
N/A 

>  <Target> (2,405)
GluR

>  <Form> (2,405)
Free Base

>  <URL> (2,405)
http://www.selleckchem.com/products/LY2140023(LY404039).html

>  <CAS Number> (2,405)
635318-11-5

$$$$
Nxy-059.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,406)
2326

>  <Formula> (2,406)
C11H13NNa2O7S2

>  <MolWeight> (2,406)
381.33296

>  <Item Name> (2,406)
NXY-059 (Disufenton sodium)

>  <Catalog Number> (2,406)
S6002

>  <Synonyms> (2,406)
Cerovive, Disufenton Sodium

>  <Target> (2,406)
Others

>  <Form> (2,406)
Disodium salt

>  <URL> (2,406)
http://www.selleckchem.com/products/NXY-059.html

>  <CAS Number> (2,406)
168021-79-2

$$$$
untitled.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,407)
2327

>  <Formula> (2,407)
C15H9FN2O3

>  <MolWeight> (2,407)
284.2419632

>  <Item Name> (2,407)
PTC124 (Ataluren)

>  <Catalog Number> (2,407)
S6003

>  <Synonyms> (2,407)
N/A 

>  <Target> (2,407)
CFTR

>  <Form> (2,407)
Free Base

>  <URL> (2,407)
http://www.selleckchem.com/products/PTC124.html

>  <CAS Number> (2,407)
775304-57-9

$$$$
untitled.cdx
csChFnd80/10101813032D

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N/A

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p38 MAPK 

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Free Base

>  <URL> (2,408)
http://www.selleckchem.com/products/VX-702.html

>  <CAS Number> (2,408)
745833-23-2

$$$$
NUTRESTORE (glutamine).cdx
csChFnd80/10101813032D

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L-Glutamine

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S1749

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N/A

>  <Target> (2,409)
Others

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Free Base

>  <URL> (2,409)
http://www.selleckchem.com/products/Glutamine.html

>  <CAS Number> (2,409)
56-85-9

$$$$
Ketanserin.cdx
csChFnd80/10101813032D

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C22H22FN3O3

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Ketanserin (Vulketan Gel)

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R 41468, Vulketan Gel

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5-HT Receptor

>  <Form> (2,410)
Free Base

>  <URL> (2,410)
http://www.selleckchem.com/products/Ketanserin-Vulketan-Gel.html

>  <CAS Number> (2,410)
74050-98-9

$$$$
Lomefloxacin hydrochloride.cdx
csChFnd80/10101813032D

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>  <Formula> (2,411)
C17H20ClF2N3O3

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387.8088064

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Lomefloxacin hydrochloride (Maxaquin)

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S2539

>  <Synonyms> (2,411)
Maxaquin, Okacyn, Uniquin

>  <Target> (2,411)
Antifection

>  <Form> (2,411)
Hydrochloride 

>  <URL> (2,411)
http://www.selleckchem.com/products/Lomefloxacin-hydrochloride-Maxaquin.html

>  <CAS Number> (2,411)
98079-52-8

$$$$
Hydralazine hydrochloride.cdx
csChFnd80/10101813032D

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Hydralazine hydrochloride

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S2562

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Apresoline

>  <Target> (2,412)
Others

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Hydrochloride

>  <URL> (2,412)
http://www.selleckchem.com/products/Hydralazine-hydrochloride.html

>  <CAS Number> (2,412)
304-20-1

$$$$
GSK256066.cdx
csChFnd80/10101813032D

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 32 33  1  6  0  0  0
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M  END
>  <Mol_ID> (2,416)
2336

>  <Formula> (2,416)
C23H48N6O17S

>  <MolWeight> (2,416)
712.72222

>  <Item Name> (2,416)
Neomycin sulfate

>  <Catalog Number> (2,416)
S2568 

>  <Synonyms> (2,416)
N/A

>  <Target> (2,416)
Antifection

>  <Form> (2,416)
Sulfate

>  <URL> (2,416)
http://www.selleckchem.com/products/Neomycin-sulfate.html

>  <CAS Number> (2,416)
1405-10-3

$$$$
Amiloride hydrochloride dihydrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,417)
2337

>  <Formula> (2,417)
C6H13Cl2N7O3

>  <MolWeight> (2,417)
302.11852

>  <Item Name> (2,417)
Amiloride hydrochloride dihydrate

>  <Catalog Number> (2,417)
S2560 

>  <Synonyms> (2,417)
MK-870

>  <Target> (2,417)
Sodium Channel

>  <Form> (2,417)
hydrochloride & dihydrate

>  <URL> (2,417)
http://www.selleckchem.com/products/amilorida.html

>  <CAS Number> (2,417)
17440-83-4

$$$$
NU-7441(KU-57788).cdx
csChFnd80/10101813032D

 30 35  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
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 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 17 11  1  0  0  0  0
  7 18  1  0  0  0  0
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 19 20  1  0  0  0  0
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 22 23  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,418)
2338

>  <Formula> (2,418)
C25H19NO3S

>  <MolWeight> (2,418)
413.48826

>  <Item Name> (2,418)
NU7441(KU-57788)

>  <Catalog Number> (2,418)
S2638

>  <Synonyms> (2,418)
N/A 

>  <Target> (2,418)
DNA-PK, PI3K

>  <Form> (2,418)
Free Base

>  <URL> (2,418)
http://www.selleckchem.com/products/nu7441.html

>  <CAS Number> (2,418)
503468-95-9 

$$$$
SCH 900776.cdx
csChFnd80/10101813032D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
  5 13  1  0  0  0  0
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 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,419)
2339

>  <Formula> (2,419)
C15H18BrN7

>  <MolWeight> (2,419)
376.25432

>  <Item Name> (2,419)
MK-8776 (SCH 900776)

>  <Catalog Number> (2,419)
S2735

>  <Synonyms> (2,419)
N/A

>  <Target> (2,419)
CHK

>  <Form> (2,419)
Free Base

>  <URL> (2,419)
http://www.selleckchem.com/products/sch-900776.html

>  <CAS Number> (2,419)
891494-63-6

$$$$
Adenine sulfate.cdx
csChFnd80/10101813032D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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 14  7  1  0  0  0  0
  8 15  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 17  1  0  0  0  0
 18 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,420)
2340

>  <Formula> (2,420)
C10H12N10O4S

>  <MolWeight> (2,420)
368.33188

>  <Item Name> (2,420)
Adenine sulfate

>  <Catalog Number> (2,420)
S1982

>  <Synonyms> (2,420)
N/A

>  <Target> (2,420)
DNA/RNA Synthesis

>  <Form> (2,420)
Sulfate

>  <URL> (2,420)
http://www.selleckchem.com/products/adenine-sulfate.html

>  <CAS Number> (2,420)
321-30-2

$$$$
ATP disodium salt.cdx
csChFnd80/10101813032D

 33 33  0  0  0  0  0  0  0  0999 V2000
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   14.4290    6.1941    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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    0.0000    6.4471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1269    4.8162    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.7270    4.8162    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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  3  8  1  1  0  0  0
  4  9  1  1  0  0  0
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 18 21  2  0  0  0  0
 13 22  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26  7  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 26  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,421)
2341

>  <Formula> (2,421)
C10H14N5Na2O13P3

>  <MolWeight> (2,421)
551.144683

>  <Item Name> (2,421)
ATP (Adenosine-Triphosphate)

>  <Catalog Number> (2,421)
S1985

>  <Synonyms> (2,421)
N/A 

>  <Target> (2,421)
Others

>  <Form> (2,421)
Disodium Salt

>  <URL> (2,421)
http://www.selleckchem.com/products/atp-Adenosine-Triphosphate.html

>  <CAS Number> (2,421)
987-65-5

$$$$
Meclizine dihydrochloride.cdx
csChFnd80/10101813032D

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1033    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5240    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5620    3.4964    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
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 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,422)
2342

>  <Formula> (2,422)
C25H29Cl3N2

>  <MolWeight> (2,422)
463.87016

>  <Item Name> (2,422)
Meclizine dihydrochloride

>  <Catalog Number> (2,422)
S1986 

>  <Synonyms> (2,422)
N/A

>  <Target> (2,422)
Others

>  <Form> (2,422)
Dihydrochloride

>  <URL> (2,422)
http://www.selleckchem.com/products/meclizine-dihydrochloride.html

>  <CAS Number> (2,422)
1104-22-9

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/10101813032D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.2829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.5829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,423)
2343

>  <Formula> (2,423)
C12H20ClN3O

>  <MolWeight> (2,423)
257.7597

>  <Item Name> (2,423)
Procarbazine hydrochloride (Matulane)

>  <Catalog Number> (2,423)
S1995

>  <Synonyms> (2,423)
N/A 

>  <Target> (2,423)
DNA/RNA

>  <Form> (2,423)
Hydrochloride

>  <URL> (2,423)
http://www.selleckchem.com/products/procarbazine-hydrochloride-matulane.html

>  <CAS Number> (2,423)
366-70-1

$$$$
Ticlopidine hydrochloride.cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.8125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.5451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4662    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  2  1  0  0  0  0
M  END
>  <Mol_ID> (2,424)
2344

>  <Formula> (2,424)
C14H15Cl2NS

>  <MolWeight> (2,424)
300.2466

>  <Item Name> (2,424)
Ticlopidine hydrochloride

>  <Catalog Number> (2,424)
S1984

>  <Synonyms> (2,424)
N/A

>  <Target> (2,424)
P2 Receptor

>  <Form> (2,424)
Hydrochloride

>  <URL> (2,424)
http://www.selleckchem.com/products/ticlopidine-hydrochloride.html

>  <CAS Number> (2,424)
53885-35-1

$$$$
Trazodone hydrochloride.cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5268    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.9341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    1.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.9341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1698    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1066    2.4051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4066    3.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0372    3.3264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5066    2.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2066    3.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5066    4.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1066    4.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4599    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 21 17  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 18 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,425)
2345

>  <Formula> (2,425)
C19H23Cl2N5O

>  <MolWeight> (2,425)
408.32482

>  <Item Name> (2,425)
Trazodone hydrochloride (Desyrel)

>  <Catalog Number> (2,425)
S2582

>  <Synonyms> (2,425)
N/A 

>  <Target> (2,425)
5-HT Receptor

>  <Form> (2,425)
Hydrochloride

>  <URL> (2,425)
http://www.selleckchem.com/products/trazodone-hydrochloride-desyrel.html

>  <CAS Number> (2,425)
25332-39-2 

$$$$
Disodium Cromoglycate.cdx
csChFnd80/10101813032D

 36 37  0  0  0  0  0  0  0  0999 V2000
    3.6289   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5324    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    2.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5703    6.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1703    6.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (2,426)
2346

>  <Formula> (2,426)
C23H14Na2O11

>  <MolWeight> (2,426)
512.3302

>  <Item Name> (2,426)
Disodium Cromoglycate

>  <Catalog Number> (2,426)
S1911

>  <Synonyms> (2,426)
Gynazole

>  <Target> (2,426)
Calcium Channel

>  <Form> (2,426)
Disodium Salt

>  <URL> (2,426)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

>  <CAS Number> (2,426)
15826-37-6

$$$$
Epalrestat.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  2  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,427)
2347

>  <Formula> (2,427)
C15H13NO3S2

>  <MolWeight> (2,427)
319.39862

>  <Item Name> (2,427)
Epalrestat

>  <Catalog Number> (2,427)
S2035 

>  <Synonyms> (2,427)
N/A

>  <Target> (2,427)
Others

>  <Form> (2,427)
Free Base

>  <URL> (2,427)
http://www.selleckchem.com/products/epalrestat.html

>  <CAS Number> (2,427)
82159-09-9

$$$$
Tranexamic acid.cdx
csChFnd80/10101813032D

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    1.2124    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,428)
2348

>  <Formula> (2,428)
C8H15NO2

>  <MolWeight> (2,428)
157.2102

>  <Item Name> (2,428)
Tranexamic acid (Transamin)

>  <Catalog Number> (2,428)
S1875

>  <Synonyms> (2,428)
Cyklokapron 

>  <Form> (2,428)
Free Base

>  <URL> (2,428)
http://www.selleckchem.com/products/tranexamic-acid-transamin.html

>  <CAS Number> (2,428)
1197-18-8

$$$$
Flubendazole.cdx
csChFnd80/10101813032D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
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  4 10  2  0  0  0  0
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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 14  4  1  0  0  0  0
  7 15  1  0  0  0  0
 11 16  1  0  0  0  0
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 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,429)
2349

>  <Formula> (2,429)
C16H12FN3O3

>  <MolWeight> (2,429)
313.2831832

>  <Item Name> (2,429)
Flubendazole (Flutelmium)

>  <Catalog Number> (2,429)
S1837

>  <Synonyms> (2,429)
N/A 

>  <Target> (2,429)
Others

>  <Form> (2,429)
Free Base

>  <URL> (2,429)
http://www.selleckchem.com/products/flubendazole-flutelmium.html

>  <CAS Number> (2,429)
31430-15-6

$$$$
NADIDE.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,430)
2350

>  <Formula> (2,430)
C21H27N7O14P2

>  <MolWeight> (2,430)
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>  <Item Name> (2,430)
NAD+

>  <Catalog Number> (2,430)
S2518

>  <Synonyms> (2,430)
N/A

>  <Target> (2,430)
Others

>  <Form> (2,430)
Free Base

>  <URL> (2,430)
http://www.selleckchem.com/products/nad.html

>  <CAS Number> (2,430)
53-84-9

$$$$
Streptomycin sulfate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,431)
2351

>  <Formula> (2,431)
C42H84N14O36S3

>  <MolWeight> (2,431)
1457.38356

>  <Item Name> (2,431)
Streptomycin sulfate

>  <Catalog Number> (2,431)
S2572

>  <Synonyms> (2,431)
N/A

>  <Target> (2,431)
Antifection

>  <Form> (2,431)
1.5 Sulfate

>  <URL> (2,431)
http://www.selleckchem.com/products/streptomycin-sulfate.html

>  <CAS Number> (2,431)
3810-74-0 

$$$$
Clindamycin phosphate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,432)
2352

>  <Formula> (2,432)
C18H34ClN2O8PS

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504.962921

>  <Item Name> (2,432)
Clindamycin phosphate

>  <Catalog Number> (2,432)
S2048

>  <Synonyms> (2,432)
N/A

>  <Target> (2,432)
Antifection

>  <Form> (2,432)
Free Base

>  <URL> (2,432)
http://www.selleckchem.com/products/clindamycin-phosphate.html

>  <CAS Number> (2,432)
24729-96-2

$$$$
Etidronate.cdx
csChFnd80/10101813032D

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>  <Formula> (2,433)
C2H8O7P2

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Etidronate (Didronel)

>  <Catalog Number> (2,433)
S1857

>  <Synonyms> (2,433)
N/A 

>  <Target> (2,433)
phosphatase

>  <Form> (2,433)
Free Base

>  <URL> (2,433)
http://www.selleckchem.com/products/etidronate-didronel.html

>  <CAS Number> (2,433)
2809-21-4

$$$$
Lornoxicam.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,434)
2354

>  <Formula> (2,434)
C13H10ClN3O4S2

>  <MolWeight> (2,434)
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Lornoxicam (Xefo)

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S2047

>  <Synonyms> (2,434)
N/A 

>  <Target> (2,434)
COX

>  <Form> (2,434)
Free Base

>  <URL> (2,434)
http://www.selleckchem.com/products/lornoxicam-xefo.html

>  <CAS Number> (2,434)
70374-39-9

$$$$
OMNISCAN (gadodiamide).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,435)
2355

>  <Formula> (2,435)
C16H28GdN5O9

>  <MolWeight> (2,435)
591.67162

>  <Item Name> (2,435)
Gadodiamide Hydrate

>  <Catalog Number> (2,435)
S1751

>  <Synonyms> (2,435)
Omniscan

>  <Target> (2,435)
Others

>  <Form> (2,435)
Hydrate

>  <URL> (2,435)
http://www.selleckchem.com/products/Gadodiamide(Omniscan).html

>  <CAS Number> (2,435)
122795-43-1

$$$$
CCT137690.cdx
csChFnd80/10101813032D

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>  <Formula> (2,436)
C26H31BrN8O

>  <MolWeight> (2,436)
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>  <Item Name> (2,436)
CCT137690

>  <Catalog Number> (2,436)
S2744

>  <Synonyms> (2,436)
N/A

>  <Target> (2,436)
Aurora Kinase

>  <Form> (2,436)
Free Base

>  <URL> (2,436)
http://www.selleckchem.com/products/cct137690.html

>  <CAS Number> (2,436)
1095382-05-0

$$$$
LY2109761.cdx
csChFnd80/10101813032D

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700874-71-1 

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>  <Item Name> (2,438)
Capmatinib (INCB28060)

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>  <Synonyms> (2,438)
N/A

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c-Met 

>  <Form> (2,438)
Free Base

>  <URL> (2,438)
http://www.selleckchem.com/products/incb28060.html

>  <CAS Number> (2,438)
1029712-80-8

$$$$
Plerixafor 8HCl.cdx
csChFnd80/10101813032D

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AMD3100 

>  <Target> (2,439)
CXCR

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Octahydrochloride 

>  <URL> (2,439)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

>  <CAS Number> (2,439)
155148-31-5

$$$$
Aloperine.cdx
csChFnd80/10101813032D

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>  <Synonyms> (2,440)
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>  <URL> (2,440)
http://www.selleckchem.com/products/aloperine.html

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56293-29-9

$$$$
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M  END
>  <Mol_ID> (2,441)
2361

>  <Formula> (2,441)
C17H12N4

>  <MolWeight> (2,441)
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>  <Item Name> (2,441)
LY364947

>  <Catalog Number> (2,441)
S2805 

>  <Synonyms> (2,441)
N/A

>  <Target> (2,441)
TGF-beta/Smad

>  <Form> (2,441)
Free Base

>  <URL> (2,441)
http://www.selleckchem.com/products/ly364947.html

>  <CAS Number> (2,441)
396129-53-6

$$$$
Leucovorin Calcium.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,442)
2362

>  <Formula> (2,442)
C20H31CaN7O12

>  <MolWeight> (2,442)
601.57784

>  <Item Name> (2,442)
Leucovorin Calcium Pentahydrate

>  <Catalog Number> (2,442)
S1236

>  <Synonyms> (2,442)
Calcium, Calcium Folinatc, Citrovorum Factor 

>  <Target> (2,442)
Others

>  <Form> (2,442)
Hydrate

>  <URL> (2,442)
http://www.selleckchem.com/products/Leucovorin-Calcium.html

>  <CAS Number> (2,442)
6035-45-6

$$$$
Torin 1.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,443)
2363

>  <Formula> (2,443)
C35H28F3N5O2

>  <MolWeight> (2,443)
607.6243296

>  <Item Name> (2,443)
Torin 1

>  <Catalog Number> (2,443)
S2827

>  <Synonyms> (2,443)
N/A 

>  <Target> (2,443)
mTOR

>  <Form> (2,443)
Free Base

>  <URL> (2,443)
http://www.selleckchem.com/products/torin-1.html

>  <CAS Number> (2,443)
1222998-36-8

$$$$
Ibandronate sodium.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,444)
2364

>  <Formula> (2,444)
C9H25NNaO8P2

>  <MolWeight> (2,444)
360.233992

>  <Item Name> (2,444)
Ibandronate sodium

>  <Catalog Number> (2,444)
S3148

>  <Synonyms> (2,444)
N/A 

>  <Target> (2,444)
Others

>  <Form> (2,444)
Sodium

>  <URL> (2,444)
http://www.selleckchem.com/products/ibandronate-sodium.html

>  <CAS Number> (2,444)
138926-19-9

$$$$
L-Arginine hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,445)
2365

>  <Formula> (2,445)
C6H15ClN4O2

>  <MolWeight> (2,445)
210.6619

>  <Item Name> (2,445)
L-Arginine HCl

>  <Catalog Number> (2,445)
S3174

>  <Synonyms> (2,445)
N/A 

>  <Target> (2,445)
NOS

>  <Form> (2,445)
HCl

>  <URL> (2,445)
http://www.selleckchem.com/products/l-Arginine-hydrochloride.html

>  <CAS Number> (2,445)
1119-34-2

$$$$
Thiamine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,446)
2366

>  <Formula> (2,446)
C12H18Cl2N4OS

>  <MolWeight> (2,446)
337.26852

>  <Item Name> (2,446)
Thiamine HCl (Vitamin B1)

>  <Catalog Number> (2,446)
S3211

>  <Synonyms> (2,446)
N/A

>  <Target> (2,446)
Vitamin

>  <Form> (2,446)
Hydrochloride

>  <URL> (2,446)
http://www.selleckchem.com/products/thiamine-hcl-vitamin-b1.html

>  <CAS Number> (2,446)
67-03-8

$$$$
Palonosetron HCl.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,447)
2367

>  <Formula> (2,447)
C19H25ClN2O

>  <MolWeight> (2,447)
332.8676

>  <Item Name> (2,447)
Palonosetron HCl

>  <Catalog Number> (2,447)
S3050

>  <Synonyms> (2,447)
N/A 

>  <Target> (2,447)
5-HT Receptor

>  <Form> (2,447)
HCL

>  <URL> (2,447)
http://www.selleckchem.com/products/palonosetron-hcl.html

>  <CAS Number> (2,447)
135729-62-3

$$$$
TG 100713.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,448)
2368

>  <Formula> (2,448)
C12H10N6O

>  <MolWeight> (2,448)
254.2474

>  <Item Name> (2,448)
TG 100713

>  <Catalog Number> (2,448)
S2870

>  <Synonyms> (2,448)
N/A

>  <Target> (2,448)
PI3K

>  <Form> (2,448)
Free Base

>  <URL> (2,448)
http://www.selleckchem.com/products/tg-100713.html

>  <CAS Number> (2,448)
925705-73-3

$$$$
Solifenacin succinate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,449)
2369

>  <Formula> (2,449)
C27H32N2O6

>  <MolWeight> (2,449)
480.55278

>  <Item Name> (2,449)
Solifenacin succinate

>  <Catalog Number> (2,449)
S3048

>  <Synonyms> (2,449)
N/A

>  <Target> (2,449)
AChR

>  <Form> (2,449)
Succinate

>  <URL> (2,449)
http://www.selleckchem.com/products/solifenacin-succinate.html

>  <CAS Number> (2,449)
242478-38-2

$$$$
Besifloxacin HCl.cdx
csChFnd80/10101813032D

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Besifloxacin HCl (Besivance)

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http://www.selleckchem.com/products/besifloxacin-hci.html

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405165-61-9

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Wnt/beta-catenin

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Free Base

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https://www.selleckchem.com/products/ky02111.html

>  <CAS Number> (2,451)
1118807-13-8

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PAK

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https://www.selleckchem.com/products/ipa-3.html

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42521-82-4

$$$$
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csChFnd80/10101813032D

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287383-59-9

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csChFnd80/10101813032D

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Histone Methyltransferase

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$$$$
CGK 733.cdx
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$$$$
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csChFnd80/10101813032D

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http://www.selleckchem.com/products/amprolium-hcl.html

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137-88-2

$$$$
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$$$$
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IU1.cdx
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314245-33-5

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   10.7983    6.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8983    4.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8983    2.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7983    1.3459    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3305    3.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3772    6.2987    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9360    3.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9223    2.2298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7772    6.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1329    2.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3442    4.8895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4772    7.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4772    5.0864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5888    1.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7331    2.4494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1472    6.0363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8772    7.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7772    8.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8772    5.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4706    0.3077    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3238    1.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5557    7.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5772    6.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5772    3.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9772    6.2987    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.2925    0.3646    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   20.1363    6.3438    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   14.8863    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 32  1  0  0  0  0
 27 33  2  0  0  0  0
 29 34  2  0  0  0  0
 29 33  1  0  0  0  0
 30 31  1  0  0  0  0
 31 35  1  0  0  0  0
 33 36  1  0  0  0  0
A   39
3.5H2O
M  END
>  <Mol_ID> (2,475)
2475

>  <Formula> (2,475)
C18H16N8Na2O7RS3

>  <MolWeight> (2,475)
598.54358

>  <Item Name> (2,475)
Ceftriaxone Sodium Trihydrate

>  <Catalog Number> (2,475)
S4158

>  <Synonyms> (2,475)
N/A

>  <Target> (2,475)
Antifection

>  <Form> (2,475)
Free Base

>  <URL> (2,475)
http://www.selleckchem.com/products/ceftriaxone-sodium-trihydrate.html

>  <CAS Number> (2,475)
104376-79-6

$$$$
Chloroquine phosphate.cdx
csChFnd80/10101813032D

 32 31  0  0  0  0  0  0  0  0999 V2000
    3.6275    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    4.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    6.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    6.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8459    3.3982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    3.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    7.5865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    8.2873    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.3927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    9.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4867    8.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    7.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    8.2866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    9.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    7.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241   10.3865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3365    8.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6258    1.4433    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.0258    1.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6258    2.8433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6258    0.0433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2258    1.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4932    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6932    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
M  END
>  <Mol_ID> (2,476)
2476

>  <Formula> (2,476)
C18H32ClN3O8P2

>  <MolWeight> (2,476)
515.862502

>  <Item Name> (2,476)
Chloroquine Phosphate

>  <Catalog Number> (2,476)
S4157

>  <Synonyms> (2,476)
N/A

>  <Target> (2,476)
Others

>  <Form> (2,476)
Diphosphate

>  <URL> (2,476)
http://www.selleckchem.com/products/chloroquine-phosphate.html

>  <CAS Number> (2,476)
50-63-5

$$$$
Chlortetracycline HCl.cdx
csChFnd80/10101813032D

 35 37  0  0  0  0  0  0  0  0999 V2000
    7.2888    5.8848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2888    4.4798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5023    6.5653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0863    6.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2888    3.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7155    5.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    7.9653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    5.8848    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8709    4.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7182    4.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9279    6.5889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7147    8.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2898    8.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    6.5653    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6558    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9306    3.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402    5.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5510    7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7606    7.6418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402    4.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6558    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1435    4.4807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9306    2.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    6.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2261    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    7.9653    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2261    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2888    7.2848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5522    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 34  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  6  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  8 15  1  0  0  0  0
  8 13  2  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 13 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  6  0  0  0
 18 23  1  1  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 20 26  1  0  0  0  0
 20 27  2  0  0  0  0
 21 28  1  0  0  0  0
 21 24  2  0  0  0  0
 24 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (2,477)
2477

>  <Formula> (2,477)
C22H24Cl2N2O8

>  <MolWeight> (2,477)
515.34056

>  <Item Name> (2,477)
Chlortetracycline HCl

>  <Catalog Number> (2,477)
S4156

>  <Synonyms> (2,477)
N/A

>  <Target> (2,477)
Antifection

>  <Form> (2,477)
Hydrochloride

>  <URL> (2,477)
http://www.selleckchem.com/products/chlortetracycline-hcl.html

>  <CAS Number> (2,477)
64-72-2

$$$$
Eprazinone 2HCl.cdx
csChFnd80/10101813032D

 30 30  0  0  0  0  0  0  0  0999 V2000
   12.8251    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.8251    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4002    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4624    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4002    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251   11.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0375   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2499   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2499   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4624   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4624   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6748   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6748   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7561   25.7492    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   25.7492    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,478)
2478

>  <Formula> (2,478)
C24H34Cl2N2O2

>  <MolWeight> (2,478)
453.44496

>  <Item Name> (2,478)
Eprazinone 2HCl

>  <Catalog Number> (2,478)
S4137

>  <Synonyms> (2,478)
N/A

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Free Base

>  <Form> (2,478)
HCl

>  <URL> (2,478)
http://www.selleckchem.com/products/eprazinone-2hcl.html

>  <CAS Number> (2,478)
10402-53-6

$$$$
Sodium gluconate.cdx
csChFnd80/10101813032D

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Sodium Gluconate

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S4174

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N/A

>  <Target> (2,479)
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Sodium salt

>  <URL> (2,479)
http://www.selleckchem.com/products/sodium-gluconate.html

>  <CAS Number> (2,479)
527-07-1

$$$$
BAM 7.cdx
csChFnd80/10101813032D

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>  <Formula> (2,480)
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405.47286

>  <Item Name> (2,480)
BAM7

>  <Catalog Number> (2,480)
S7105

>  <Synonyms> (2,480)
BAX Activator Molecule 7

>  <Target> (2,480)
Bcl-2

>  <Form> (2,480)
Free Base

>  <URL> (2,480)
http://www.selleckchem.com/products/bam7.html

>  <CAS Number> (2,480)
331244-89-4

$$$$
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2481

>  <Formula> (2,481)
C26H27F4N7O2

>  <MolWeight> (2,481)
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>  <Item Name> (2,481)
CNX-2006

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>  <Synonyms> (2,481)
N/A

>  <Target> (2,481)
EGFR

>  <Form> (2,481)
Free Base

>  <URL> (2,481)
http://www.selleckchem.com/products/cnx-2006.html

>  <CAS Number> (2,481)
1375465-09-0

$$$$
GZD824.cdx
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673-06-3

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M  END
>  <Mol_ID> (2,494)
2494

>  <Formula> (2,494)
C18H22N2O

>  <MolWeight> (2,494)
282.38008

>  <Item Name> (2,494)
NLG919

>  <Catalog Number> (2,494)
S7111

>  <Synonyms> (2,494)
N/A

>  <Target> (2,494)
IDO

>  <Form> (2,494)
Free Base

>  <URL> (2,494)
http://www.selleckchem.com/products/nlg919.html

>  <CAS Number> (2,494)
1402836-58-1

$$$$
Paromomycin Sulfate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,495)
2495

>  <Formula> (2,495)
C23H47N5O18S

>  <MolWeight> (2,495)
713.70698

>  <Item Name> (2,495)
Paromomycin Sulfate

>  <Catalog Number> (2,495)
S4183

>  <Synonyms> (2,495)
N/A

>  <Target> (2,495)
Antifection

>  <Form> (2,495)
Sulfate

>  <URL> (2,495)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (2,495)
1263-89-4

$$$$

csChFnd80/10101813032D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,496)
2496

>  <Formula> (2,496)
C26H24N6O4S

>  <MolWeight> (2,496)
516.57156

>  <Item Name> (2,496)
Proflavine Hemisulfate

>  <Catalog Number> (2,496)
S4236

>  <Synonyms> (2,496)
N/A

>  <Target> (2,496)
Antifection

>  <Form> (2,496)
Sulfate

>  <URL> (2,496)
http://www.selleckchem.com/products/proflavine-hemisulfate.html

>  <CAS Number> (2,496)
1811-28-5

$$$$
Sodium ascorbate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,497)
2497

>  <Formula> (2,497)
C6H10NaO6

>  <MolWeight> (2,497)
201.12977

>  <Item Name> (2,497)
Sodium ascorbate

>  <Catalog Number> (2,497)
S4245

>  <Synonyms> (2,497)
N/A

>  <Target> (2,497)
Vitamin

>  <Form> (2,497)
Sodium Salt

>  <URL> (2,497)
http://www.selleckchem.com/products/sodium-ascorbate.html

>  <CAS Number> (2,497)
134-03-2

$$$$
Bismuth subcitrate potassium.cdx
csChFnd80/10101813032D

 32 24  0  0  0  0  0  0  0  0999 V2000
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   14.5341    4.2263    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   12.1995    0.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9870    0.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4077    0.1069    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.3476    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   14.5917    5.6146    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    1.1750    6.8542    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    6.8164    4.2875    0.0000 Bi  0  1  0  0  0  0  0  0  0  0  0  0
    6.2330    7.8604    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    9.1959    7.7292    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    1.3476    5.3813    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5600    4.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7683    5.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    2.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    2.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    1.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7624    2.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7624    4.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9707    2.2986    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    2.5600    3.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0476    3.7986    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 23 29  1  0  0  0  0
 21 30  1  0  0  0  0
 30 23  1  0  0  0  0
 24 31  2  0  0  0  0
 24 32  1  0  0  0  0
M  END
>  <Mol_ID> (2,498)
2498

>  <Formula> (2,498)
C12H10BiK5O14+2

>  <MolWeight> (2,498)
782.67128

>  <Item Name> (2,498)
Bismuth Subcitrate Potassium

>  <Catalog Number> (2,498)
S4093

>  <Synonyms> (2,498)
N/A

>  <Target> (2,498)
Antifection

>  <Form> (2,498)
Potassium salt

>  <URL> (2,498)
http://www.selleckchem.com/products/bismuth-subcitrate-potassium.html

>  <CAS Number> (2,498)
880149-29-1

$$$$
Clodronate disodium.cdx
csChFnd80/10101813032D

 13 10  0  0  0  0  0  0  0  0999 V2000
    4.8849    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2937    2.1740    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.5053    2.1740    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.8748    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9093    0.0144    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1297    1.0510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5937    3.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4634    2.9433    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6693    1.0510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2053    3.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    2.9433    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0275    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.1463    2.9543    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  2  0  0  0  0
  3 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,499)
2499

>  <Formula> (2,499)
CH2Cl2Na2O6P2

>  <MolWeight> (2,499)
288.856042

>  <Item Name> (2,499)
Clodronate Disodium

>  <Catalog Number> (2,499)
S4108

>  <Synonyms> (2,499)
N/A

>  <Target> (2,499)
Others

>  <Form> (2,499)
Disodium salt

>  <URL> (2,499)
http://www.selleckchem.com/products/clodronate-disodium.html

>  <CAS Number> (2,499)
22560-50-5, 10596-23-3(free base)

$$$$
Colistin sulfate.cdx
csChFnd80/10101813032D

187182  0  0  0  0  0  0  0  0999 V2000
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   20.2661   24.0834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.9661   25.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   25.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661   26.5083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.0661   24.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9661   22.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   22.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661   21.6585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1613   22.8710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1613   25.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7613   25.2958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.9661   34.9953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7613   22.8710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4247   29.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2212   28.6250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   29.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390   27.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0355   26.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <CAS Number> (2,500)
1264-72-8

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p97

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177355-84-9

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 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
 12 11  1  6  0  0  0
 13 18  1  6  0  0  0
 15 19  1  6  0  0  0
 16 20  1  1  0  0  0
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 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 23  7  1  1  0  0  0
 25 28  1  1  0  0  0
 28 29  1  0  0  0  0
 26 30  1  6  0  0  0
 27 31  1  6  0  0  0
 32 33  2  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (2,506)
2506

>  <Formula> (2,506)
C17H36N4O14S

>  <MolWeight> (2,506)
552.55114

>  <Item Name> (2,506)
Ribostamycin Sulfate

>  <Catalog Number> (2,506)
S4215

>  <Synonyms> (2,506)
N/A

>  <Target> (2,506)
Antifection

>  <Form> (2,506)
Sulfate

>  <URL> (2,506)
http://www.selleckchem.com/products/ribostamycin-sulfate.html

>  <CAS Number> (2,506)
53797-35-6

$$$$
tetramisole hydrochloride.cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.8230    1.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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  7 12  2  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 14  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,507)
2507

>  <Formula> (2,507)
C11H13ClN2S

>  <MolWeight> (2,507)
240.75232

>  <Item Name> (2,507)
Tetramisole HCl

>  <Catalog Number> (2,507)
S4094

>  <Synonyms> (2,507)
N/A

>  <Target> (2,507)
Antifection

>  <Form> (2,507)
Hydrochloride

>  <URL> (2,507)
http://www.selleckchem.com/products/tetramisole-hcl.html

>  <CAS Number> (2,507)
5086-74-8, 5036-02-2(free base)

$$$$
Vitamin A palmitate.cdx
csChFnd80/10101813032D

 38 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    6.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    6.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8582    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7079    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1328    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4955    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  4 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <Mol_ID> (2,508)
2508

>  <Formula> (2,508)
C36H60O2

>  <MolWeight> (2,508)
524.8604

>  <Item Name> (2,508)
Vitamin A Palmitate

>  <Catalog Number> (2,508)
S4126

>  <Synonyms> (2,508)
N/A

>  <Target> (2,508)
Others

>  <Form> (2,508)
Free Base

>  <URL> (2,508)
http://www.selleckchem.com/products/vitamin-a-palmitate.html

>  <CAS Number> (2,508)
79-81-2 

$$$$
Bromosporine.cdx
csChFnd80/10101813032D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9220    3.0899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9019    3.0899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  7 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 18  7  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,509)
2509

>  <Formula> (2,509)
C17H20N6O4S

>  <MolWeight> (2,509)
404.4435

>  <Item Name> (2,509)
Bromosporine

>  <Catalog Number> (2,509)
S7233

>  <Synonyms> (2,509)
N/A

>  <Target> (2,509)
Epigenetic Reader Domain

>  <Form> (2,509)
Free Base

>  <URL> (2,509)
http://www.selleckchem.com/products/bromosporine.html

$$$$
14028-44-5.cdx
csChFnd80/10101813032D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.6188    3.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5573    0.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1995    2.1593    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,510)
2510

>  <Formula> (2,510)
C17H16ClN3O

>  <MolWeight> (2,510)
313.78144

>  <Item Name> (2,510)
Amoxapine

>  <Catalog Number> (2,510)
S4218

>  <Synonyms> (2,510)
N/A

>  <Target> (2,510)
GlyT

>  <Form> (2,510)
Free Base

>  <URL> (2,510)
http://www.selleckchem.com/products/amoxapine.html

>  <CAS Number> (2,510)
14028-44-5

$$$$
Minocycline hydrochloride.cdx
csChFnd80/10101813032D

 36 38  0  0  0  0  0  0  0  0999 V2000
    7.2501    3.4849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2501    2.1074    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4778    4.1760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.4924    5.5778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    3.4946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8528    2.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0321    0.0144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6814    2.0639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,516)
2516

>  <Formula> (2,516)
C21H43N5O15S

>  <MolWeight> (2,516)
637.65562

>  <Item Name> (2,516)
Apramycin Sulfate

>  <Catalog Number> (2,516)
S4254

>  <Synonyms> (2,516)
N/A

>  <Target> (2,516)
Antifection

>  <Form> (2,516)
Sulfate

>  <URL> (2,516)
http://www.selleckchem.com/products/apramycin-sulfate.html

>  <CAS Number> (2,516)
65710-07-8

$$$$
EPZ005687.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,517)
2517

>  <Formula> (2,517)
C32H37N5O3

>  <MolWeight> (2,517)
539.66788

>  <Item Name> (2,517)
EPZ005687

>  <Catalog Number> (2,517)
S7004

>  <Synonyms> (2,517)
N/A

>  <Target> (2,517)
Histone Methyltransferase

>  <Form> (2,517)
Free Base

>  <URL> (2,517)
http://www.selleckchem.com/products/epz005687.html

>  <CAS Number> (2,517)
1396772-26-1

$$$$
AZD3514.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,518)
2518

>  <Formula> (2,518)
C25H32F3N7O2

>  <MolWeight> (2,518)
519.5624896

>  <Item Name> (2,518)
AZD3514

>  <Catalog Number> (2,518)
S7040

>  <Synonyms> (2,518)
N/A

>  <Target> (2,518)
Androgen Receptor

>  <Form> (2,518)
Free Base

>  <URL> (2,518)
http://www.selleckchem.com/products/azd3514.html

>  <CAS Number> (2,518)
1240299-33-5

$$$$
PD123319.cdx
csChFnd80/10101813032D

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N/A

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RAAS

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Free Base

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http://www.selleckchem.com/products/pd123319.html

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130663-39-7

$$$$
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csChFnd80/10101813032D

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SphK-I2, Sphingosine Kinase Inhibitor 2

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S1P Receptor

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Free Base

>  <URL> (2,520)
http://www.selleckchem.com/products/ski-ii.html

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312636-16-1

$$$$
GW501516.cds
csChFnd80/10101813032D

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GW501516

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PPAR¦Ä

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free base

>  <URL> (2,521)
http://selleckchem.com/products/.html

>  <CAS Number> (2,521)
317318-70-0

$$$$
CEPHALEXIN (cephalexin).cdx
csChFnd80/10101813032D

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C16H17N3O4S

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Cephalexin (Cefalexin)

>  <Catalog Number> (2,522)
S1502

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Cefalexin, Alcephin, Cefablan, keflex,Cefadin, Tepaxin

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Antifection

>  <Form> (2,522)
Free Base

>  <URL> (2,522)
http://www.selleckchem.com/products/Cephalexin-(Cefalexin).html

>  <CAS Number> (2,522)
15686-71-2

$$$$
purmorphamine.cdx
csChFnd80/10101813032D

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Purmorphamine

>  <Catalog Number> (2,523)
S3042

>  <Synonyms> (2,523)
N/A

>  <Target> (2,523)
Hedgehog/Smoothened

>  <Form> (2,523)
Free Base

>  <URL> (2,523)
http://www.selleckchem.com/products/purmorphamine.html

>  <CAS Number> (2,523)
483367-10-8

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/10101813032D

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>  <Item Name> (2,524)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

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S7007

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N/A

>  <Target> (2,524)
MEK

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Free Base

>  <URL> (2,524)
http://www.selleckchem.com/products/mek162.html

>  <CAS Number> (2,524)
606143-89-9

$$$$
brefeldin A.cdx
csChFnd80/10101813032D

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C16H24O4

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280.35936

>  <Item Name> (2,525)
Brefeldin A 

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BFA

>  <Target> (2,525)
ATPase

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Free Base

>  <URL> (2,525)
http://www.selleckchem.com/products/brefeldin-a.html

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20350-15-6

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csChFnd80/10101813032D

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N/A

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Liver X Receptor

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Free Base

>  <URL> (2,526)
http://www.selleckchem.com/products/t0901317.html

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293754-55-9

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SC144

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S7124

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N/A

>  <Target> (2,528)
P-gp

>  <Form> (2,528)
Free Base

>  <URL> (2,528)
http://www.selleckchem.com/products/sc144.html

>  <CAS Number> (2,528)
895158-95-9

$$$$
TIC10.cdx
csChFnd80/10101813032D

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2529

>  <Formula> (2,529)
C24H26N4O

>  <MolWeight> (2,529)
386.48944

>  <Item Name> (2,529)
TIC10 analogue

>  <Catalog Number> (2,529)
S7127

>  <Synonyms> (2,529)
TRAIL-inducing Compound 10

>  <Target> (2,529)
Akt

>  <Form> (2,529)
Free Base

>  <URL> (2,529)
http://www.selleckchem.com/products/tic10.html

>  <CAS Number> (2,529)
41276-02-2

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/10101813032D

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2530

>  <Formula> (2,530)
C22H22ClN5O2

>  <MolWeight> (2,530)
423.89538

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I-BET-762

>  <Catalog Number> (2,530)
S7189

>  <Synonyms> (2,530)
GSK525762, GSK525762A

>  <Target> (2,530)
Epigenetic Reader Domain

>  <Form> (2,530)
Free Base

>  <URL> (2,530)
http://www.selleckchem.com/products/i-bet-762.html

>  <CAS Number> (2,530)
1260907-17-2

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,531)
2531

>  <Formula> (2,531)
C16H10BrN3O2

>  <MolWeight> (2,531)
356.1735

>  <Item Name> (2,531)
BIO

>  <Catalog Number> (2,531)
S7198

>  <Synonyms> (2,531)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (2,531)
GSK-3

>  <Form> (2,531)
Free Base

>  <URL> (2,531)
http://www.selleckchem.com/products/bio.html

>  <CAS Number> (2,531)
667463-62-9

$$$$
Fosbretabulin disodium (Combretastatin A-4 phosphate disodium, CA4P disodium).cdx
csChFnd80/10101813032D

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1009816-48-1

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300586-90-7

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TGF-beta/Smad

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446859-33-2

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M  END
>  <Mol_ID> (2,538)
2538

>  <Formula> (2,538)
C21H23N7O3S

>  <MolWeight> (2,538)
453.51742

>  <Item Name> (2,538)
AZD2858

>  <Catalog Number> (2,538)
S7253

>  <Synonyms> (2,538)
N/A

>  <Target> (2,538)
GSK-3

>  <Form> (2,538)
Free Base

>  <URL> (2,538)
http://www.selleckchem.com/products/azd2858.html

>  <CAS Number> (2,538)
486424-20-8

$$$$
¦Â-Lapachone (ARQ-501).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,539)
2539

>  <Formula> (2,539)
C15H14O3

>  <MolWeight> (2,539)
242.26986

>  <Item Name> (2,539)
Beta-Lapachone

>  <Catalog Number> (2,539)
S7261

>  <Synonyms> (2,539)
¦Â-Lapachone, ARQ-501

>  <Target> (2,539)
Topoisomerase

>  <Form> (2,539)
Free Base

>  <URL> (2,539)
http://www.selleckchem.com/products/beta-lapachone.html

>  <CAS Number> (2,539)
4707-32-8

$$$$
ZM39923 HCl.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,540)
2540

>  <Formula> (2,540)
C23H26ClNO

>  <MolWeight> (2,540)
367.91164

>  <Item Name> (2,540)
ZM 39923 HCl

>  <Catalog Number> (2,540)
S8004

>  <Synonyms> (2,540)
N/A

>  <Target> (2,540)
JAK

>  <Form> (2,540)
HCl

>  <URL> (2,540)
http://www.selleckchem.com/products/zm-39923-hcl.html

>  <CAS Number> (2,540)
1021868-92-7

$$$$
dynasore .cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,541)
2541

>  <Formula> (2,541)
C18H14N2O4

>  <MolWeight> (2,541)
322.31476

>  <Item Name> (2,541)
Dynasore

>  <Catalog Number> (2,541)
S8047

>  <Synonyms> (2,541)
N/A

>  <Target> (2,541)
Dynamin

>  <Form> (2,541)
Free Base

>  <URL> (2,541)
http://www.selleckchem.com/products/dynasore.html

>  <CAS Number> (2,541)
304448-55-3

$$$$
PluriSln 1(NSC 14613).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,542)
2542

>  <Formula> (2,542)
C12H11N3O

>  <MolWeight> (2,542)
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>  <Item Name> (2,542)
PluriSIn #1 (NSC 14613)

>  <Catalog Number> (2,542)
S8076

>  <Synonyms> (2,542)
N/A

>  <Target> (2,542)
Dehydrogenase

>  <Form> (2,542)
Free Base

>  <URL> (2,542)
http://www.selleckchem.com/products/PluriSIn-1-nsc-14613.html

>  <CAS Number> (2,542)
91396-88-2

$$$$
SGC 0946.cdx
csChFnd80/10101813032D

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   10.9199    2.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9199    4.2022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7075    4.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951    4.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7075    6.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1323    4.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3797    4.2666    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5994    2.8791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9869    2.6593    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.6313    4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0074    4.1300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6095    1.8892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6224    1.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0007    3.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6451    5.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1054    0.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3570    1.6065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4306    3.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6779    3.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0224    6.1518    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  4 11  1  0  0  0  0
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 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 26 28  1  1  0  0  0
 24 29  1  6  0  0  0
 25 30  1  6  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 28  1  0  0  0  0
 31 35  1  0  0  0  0
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 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 32  1  0  0  0  0
 38 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (2,543)
2543

>  <Formula> (2,543)
C28H40BrN7O4

>  <MolWeight> (2,543)
618.5657

>  <Item Name> (2,543)
SGC 0946

>  <Catalog Number> (2,543)
S7079

>  <Synonyms> (2,543)
N/A

>  <Target> (2,543)
Histone Methyltransferase

>  <Form> (2,543)
Free Base

>  <URL> (2,543)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
Erastin.cdx
csChFnd80/10101813032D

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.0222    7.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3222    8.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9269    8.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326    7.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9254    6.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3088    6.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2128    4.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3128    3.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,544)
2544

>  <Formula> (2,544)
C30H31ClN4O4

>  <MolWeight> (2,544)
547.04454

>  <Item Name> (2,544)
Erastin

>  <Catalog Number> (2,544)
S7242

>  <Synonyms> (2,544)
N/A

>  <Target> (2,544)
Ferroptosis

>  <Form> (2,544)
Free Base

>  <URL> (2,544)
http://www.selleckchem.com/products/erastin.html

>  <CAS Number> (2,544)
571203-78-6

$$$$
RAD51 inhibitor RI-1.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.1000    2.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    1.3133    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    3.7381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 13  9  1  0  0  0  0
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 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,545)
2545

>  <Formula> (2,545)
C14H11Cl3N2O3

>  <MolWeight> (2,545)
361.60774

>  <Item Name> (2,545)
RI-1

>  <Catalog Number> (2,545)
S8077

>  <Synonyms> (2,545)
RAD51 inhibitor 1

>  <Target> (2,545)
Others

>  <Form> (2,545)
Free Base

>  <URL> (2,545)
http://www.selleckchem.com/products/ri-1.html

>  <CAS Number> (2,545)
415713-60-9

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/10101813032D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (2,546)
2546

>  <Formula> (2,546)
C26H27N5O5S2

>  <MolWeight> (2,546)
553.65308

>  <Item Name> (2,546)
Ro 31-8220 Mesylate

>  <Catalog Number> (2,546)
S7207

>  <Synonyms> (2,546)
Bisindolylmaleimide IX Mesylate

>  <Target> (2,546)
PKC

>  <Form> (2,546)
Mesylate

>  <URL> (2,546)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

>  <CAS Number> (2,546)
138489-18-6

$$$$
AZD1981.cdx
csChFnd80/10101813032D

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>  <Formula> (2,547)
C19H17ClN2O3S

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388.86788

>  <Item Name> (2,547)
AZD1981

>  <Catalog Number> (2,547)
S7263

>  <Synonyms> (2,547)
N/A

>  <Target> (2,547)
GPR

>  <Form> (2,547)
Free Base

>  <URL> (2,547)
http://www.selleckchem.com/products/azd1981.html

>  <CAS Number> (2,547)
802904-66-1

$$$$
Bardoxolone Methyl.cdx
csChFnd80/10101813032D

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2548

>  <Formula> (2,548)
C32H43NO4

>  <MolWeight> (2,548)
505.68812

>  <Item Name> (2,548)
Bardoxolone Methyl

>  <Catalog Number> (2,548)
S8078

>  <Synonyms> (2,548)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (2,548)
I¦ÊB/IKK

>  <Form> (2,548)
Free Base

>  <URL> (2,548)
http://www.selleckchem.com/products/bardoxolone-methyl.html

>  <CAS Number> (2,548)
218600-53-4

$$$$
CZC24832.cdx
csChFnd80/10101813032D

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2549

>  <Formula> (2,549)
C15H17FN6O2S

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CZC24832

>  <Catalog Number> (2,549)
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>  <Synonyms> (2,549)
N/A

>  <Target> (2,549)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (2,549)
Free Base

>  <URL> (2,549)
http://www.selleckchem.com/products/czc24832.html

>  <CAS Number> (2,549)
1159824-67-5

$$$$
SGI-1027.cdx
csChFnd80/10101813032D

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>  <Formula> (2,550)
C27H23N7O

>  <MolWeight> (2,550)
461.51782

>  <Item Name> (2,550)
SGI-1027

>  <Catalog Number> (2,550)
S7276

>  <Synonyms> (2,550)
DNA Methyltransferase Inhibitor II

>  <Target> (2,550)
DNA Methyltransferase

>  <Form> (2,550)
Free Base

>  <URL> (2,550)
http://www.selleckchem.com/products/sgi-1027.html

>  <CAS Number> (2,550)
1020149-73-8

$$$$
SRPIN340.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,551)
2551

>  <Formula> (2,551)
C18H18F3N3O

>  <MolWeight> (2,551)
349.3502296

>  <Item Name> (2,551)
SRPIN340

>  <Catalog Number> (2,551)
S7270

>  <Synonyms> (2,551)
N/A

>  <Target> (2,551)
Others

>  <Form> (2,551)
Free Base

>  <URL> (2,551)
http://www.selleckchem.com/products/srpin340.html

>  <CAS Number> (2,551)
218156-96-8

$$$$
ETP-46464.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,552)
2552

>  <Formula> (2,552)
C30H22N4O2

>  <MolWeight> (2,552)
470.52128

>  <Item Name> (2,552)
ETP-46464

>  <Catalog Number> (2,552)
S8050

>  <Synonyms> (2,552)
N/A

>  <Target> (2,552)
mTOR

>  <Form> (2,552)
Free Base

>  <URL> (2,552)
http://www.selleckchem.com/products/etp-46464.html

>  <CAS Number> (2,552)
1345675-02-6

$$$$
Golgicide A.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,553)
2553

>  <Formula> (2,553)
C17H14F2N2

>  <MolWeight> (2,553)
284.3032664

>  <Item Name> (2,553)
Golgicide A

>  <Catalog Number> (2,553)
S7266

>  <Synonyms> (2,553)
N/A

>  <Target> (2,553)
ATPase

>  <Form> (2,553)
Free Base

>  <URL> (2,553)
http://www.selleckchem.com/products/golgicide-a.html

>  <CAS Number> (2,553)
1139889-93-2

$$$$
XL388.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,554)
2554

>  <Formula> (2,554)
C23H22FN3O4S

>  <MolWeight> (2,554)
455.5018832

>  <Item Name> (2,554)
XL388

>  <Catalog Number> (2,554)
S7035

>  <Synonyms> (2,554)
N/A

>  <Target> (2,554)
mTOR

>  <Form> (2,554)
Free Base

>  <URL> (2,554)
http://www.selleckchem.com/products/xl388.html

>  <CAS Number> (2,554)
1251156-08-7

$$$$
CO-1686(AVL-301).cdx
csChFnd80/10101813032D

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>  <Formula> (2,555)
C27H28F3N7O3

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Rociletinib (CO-1686, AVL-301)

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S7284

>  <Synonyms> (2,555)
CNX-419, AVL-301

>  <Target> (2,555)
EGFR

>  <Form> (2,555)
Free Base

>  <URL> (2,555)
http://www.selleckchem.com/products/co-1686.html

>  <CAS Number> (2,555)
1374640-70-6

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,556)
2556

>  <Formula> (2,556)
C24H27Cl2N5O

>  <MolWeight> (2,556)
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>  <Item Name> (2,556)
Dorsomorphin (Compound C) 2HCl

>  <Catalog Number> (2,556)
S7306

>  <Synonyms> (2,556)
BML-275,Compound C

>  <Target> (2,556)
AMPK

>  <Form> (2,556)
Dihydrochloride

>  <URL> (2,556)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

>  <CAS Number> (2,556)
1219168-18-9

$$$$
EHop-016.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,557)
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>  <Formula> (2,557)
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>  <Item Name> (2,557)
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>  <Synonyms> (2,557)
N/A

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Rac

>  <Form> (2,557)
Free Base

>  <URL> (2,557)
http://www.selleckchem.com/products/ehop-016.html

>  <CAS Number> (2,557)
1380432-32-5

$$$$
KPT-185.cdx
csChFnd80/10101813032D

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N/A

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CRM1

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Free Base

>  <URL> (2,558)
http://www.selleckchem.com/products/kpt-185.html

>  <CAS Number> (2,558)
1333151-73-7

$$$$
KPT-276.cdx
csChFnd80/10101813032D

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KPT-276

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>  <Synonyms> (2,559)
N/A

>  <Target> (2,559)
CRM1

>  <Form> (2,559)
Free Base

>  <URL> (2,559)
http://www.selleckchem.com/products/kpt-276.html

>  <CAS Number> (2,559)
1421919-75-6

$$$$
Skepinone-L.cdx
csChFnd80/10101813032D

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2560

>  <Formula> (2,560)
C24H21F2NO4

>  <MolWeight> (2,560)
425.4246464

>  <Item Name> (2,560)
Skepinone-L

>  <Catalog Number> (2,560)
S7214

>  <Synonyms> (2,560)
N/A

>  <Target> (2,560)
p38 MAPK

>  <Form> (2,560)
Free Base

>  <URL> (2,560)
http://www.selleckchem.com/products/skepinone-l.html

>  <CAS Number> (2,560)
1221485-83-1

$$$$
Aceclidine Hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,561)
2561

>  <Formula> (2,561)
C9H16ClNO2

>  <MolWeight> (2,561)
205.68184

>  <Item Name> (2,561)
Aceclidine Hydrochloride

>  <Catalog Number> (2,561)
S4301

>  <Synonyms> (2,561)
N/A

>  <Target> (2,561)
Others

>  <Form> (2,561)
Hydrochloride

>  <URL> (2,561)
http://www.selleckchem.com/products/atenolol.html

>  <CAS Number> (2,561)
56715-13-0

$$$$
aminacrine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,562)
2562

>  <Formula> (2,562)
C13H10N2

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194.2319

>  <Item Name> (2,562)
9-Aminoacridine
9-Aminoacridine
Aminoacrid

>  <Catalog Number> (2,562)
S4303

>  <Synonyms> (2,562)
Aminacrine

>  <Target> (2,562)
Others

>  <Form> (2,562)
Free Base

>  <URL> (2,562)
http://www.selleckchem.com/products/9-aminoacridine.html

>  <CAS Number> (2,562)
90-45-9

$$$$
anisindione.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,563)
2563

>  <Formula> (2,563)
C16H12O3

>  <MolWeight> (2,563)
252.26468

>  <Item Name> (2,563)
anisindione

>  <Catalog Number> (2,563)
S4304

>  <Synonyms> (2,563)
N/A

>  <Target> (2,563)
Others

>  <Form> (2,563)
Free Base

>  <URL> (2,563)
http://www.selleckchem.com/products/anisindione.html

>  <CAS Number> (2,563)
117-37-3

$$$$
>  <Mol_ID> (2,564)
2564

>  <Item Name> (2,564)
anisotropine methylbromide

>  <Catalog Number> (2,564)
S4305

>  <Synonyms> (2,564)
N/A

>  <Target> (2,564)
Others

>  <Form> (2,564)
methylbromide

>  <URL> (2,564)
http://www.selleckchem.com/products/anisotropine-methylbromide.html

>  <CAS Number> (2,564)
80-50-2

$$$$
bendroflumethiazide.cdx
csChFnd80/10101813032D

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bendroflumethiazide

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S4387

>  <Synonyms> (2,565)
Bendrofluazide

>  <Target> (2,565)
Others

>  <Form> (2,565)
Free Base

>  <URL> (2,565)
http://www.selleckchem.com/products/bendroflumethiazide.html

>  <CAS Number> (2,565)
73-48-3

$$$$
bentiromide.cdx
csChFnd80/10101813032D

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>  <Formula> (2,566)
C23H20N2O5

>  <MolWeight> (2,566)
404.4153

>  <Item Name> (2,566)
bentiromide

>  <Catalog Number> (2,566)
S4388

>  <Synonyms> (2,566)
N/A

>  <Target> (2,566)
Others

>  <Form> (2,566)
Free Base

>  <URL> (2,566)
http://www.selleckchem.com/products/bentiromide.html

>  <CAS Number> (2,566)
37106-97-1

$$$$
benzthiazide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,567)
2567

>  <Formula> (2,567)
C15H14ClN3O4S3

>  <MolWeight> (2,567)
431.93736

>  <Item Name> (2,567)
benzthiazide

>  <Catalog Number> (2,567)
S4308

>  <Synonyms> (2,567)
Benzothiazide

>  <Target> (2,567)
Others

>  <Form> (2,567)
Free Base

>  <URL> (2,567)
http://www.selleckchem.com/products/benzthiazide.html

>  <CAS Number> (2,567)
91-33-8

$$$$
bephenium hydroxynaphthoate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,568)
2568

>  <Formula> (2,568)
C28H29NO4

>  <MolWeight> (2,568)
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>  <Item Name> (2,568)
bephenium hydroxynaphthoate

>  <Catalog Number> (2,568)
S4389

>  <Synonyms> (2,568)
N/A

>  <Target> (2,568)
Others

>  <Form> (2,568)
hydroxynaphthoa

>  <URL> (2,568)
http://www.selleckchem.com/products/bephenium-hydroxynaphthoate.html

>  <CAS Number> (2,568)
3818-50-6

$$$$
brucine.cdx
csChFnd80/10101813032D

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  3 20  1  0  0  0  0
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  5 21  1  0  0  0  0
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 23 24  2  0  0  0  0
  6 24  1  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  1  0  0  0  0
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 33 34  2  0  0  0  0
 33 35  2  0  0  0  0
 33 36  1  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <Mol_ID> (2,569)
2569

>  <Formula> (2,569)
C23H30N2O9S

>  <MolWeight> (2,569)
510.5573

>  <Item Name> (2,569)
Brucine sulfate salt hydrate

>  <Catalog Number> (2,569)
S4390

>  <Synonyms> (2,569)
N/A

>  <Target> (2,569)
Others

>  <Form> (2,569)
sulphate
sulph

>  <URL> (2,569)
http://www.selleckchem.com/products/brucine.html

>  <CAS Number> (2,569)
652154-10-4

$$$$
calcium gluceptate.cdx
csChFnd80/10101813032D

 31 30  0  0  0  0  0  0  0  0999 V2000
   13.8044    6.0821    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3362    4.7817    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9561    7.1839    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.1918    6.3028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1588    3.7122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9451    4.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4482    8.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5928    6.9687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6909    2.4116    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5524    3.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7953    8.7606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3032    2.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3043   11.0209    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6571   13.1061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4707    9.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.9703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  6  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  1  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  6  0  0  0
 20 22  1  0  0  0  0
 20 23  1  1  0  0  0
 22 24  1  0  0  0  0
 22 25  1  1  0  0  0
 24 26  1  0  0  0  0
 24 27  1  1  0  0  0
 26 28  1  0  0  0  0
 26 29  1  6  0  0  0
 28 30  1  0  0  0  0
 18 31  2  0  0  0  0
M  END
>  <Mol_ID> (2,570)
2570

>  <Formula> (2,570)
C14H26CaO16

>  <MolWeight> (2,570)
490.42464

>  <Item Name> (2,570)
Calcium Gluceptate

>  <Catalog Number> (2,570)
S4311 

>  <Synonyms> (2,570)
N/A

>  <Target> (2,570)
Others

>  <Form> (2,570)
Gluceptate

>  <URL> (2,570)
http://www.selleckchem.com/products/calcium-gluceptate.html

>  <CAS Number> (2,570)
17140-60-2

$$$$
camylofine chlorhydrate.cdx
csChFnd80/10101813032D

 25 23  0  0  0  0  0  0  0  0999 V2000
    7.2692    6.3064    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4787    7.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0774    6.9945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2692    4.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6706    6.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4787    8.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8235    6.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1045    4.2176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5242    4.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8602    7.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6323    9.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    6.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1045    2.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8602    8.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    6.2506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9064    2.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    4.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9064    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6287    4.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6998    0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1189    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7817    9.2309    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3817    9.2309    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,571)
2571

>  <Formula> (2,571)
C19H34Cl2N2O2

>  <MolWeight> (2,571)
393.39146

>  <Item Name> (2,571)
camylofine chlorhydrate

>  <Catalog Number> (2,571)
S4391

>  <Synonyms> (2,571)
Camylofine Chlorhydrate

>  <Target> (2,571)
Others

>  <Form> (2,571)
chlorhydrate

>  <URL> (2,571)
http://www.selleckchem.com/products/camylofin-chlorhydrate.html

>  <CAS Number> (2,571)
54-30-8

$$$$
canrenoic acid, potassium salt.cdx
csChFnd80/10101813032D

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6061    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.6326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0367    5.9116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    6.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.4042    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5722    5.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  6  0  0  0
  7 14  1  1  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 10 26  1  1  0  0  0
  2 27  1  1  0  0  0
  5 28  1  6  0  0  0
  1 29  1  6  0  0  0
  3 30  1  1  0  0  0
M  END
>  <Mol_ID> (2,572)
2572

>  <Formula> (2,572)
C22H29KO4

>  <MolWeight> (2,572)
396.56156

>  <Item Name> (2,572)
Potassium Canrenoate

>  <Catalog Number> (2,572)
S4392

>  <Synonyms> (2,572)
Canrenoic Acid Potassium Salt

>  <Target> (2,572)
Others

>  <Form> (2,572)
Canrenoate

>  <URL> (2,572)
http://www.selleckchem.com/products/potassium-canrenoate.html

>  <CAS Number> (2,572)
2181-04-6

$$$$
carbachol.cdx
csChFnd80/10101813032D

 11  9  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    0.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8253    3.3664    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,573)
2573

>  <Formula> (2,573)
C6H15ClN2O2

>  <MolWeight> (2,573)
182.6485

>  <Item Name> (2,573)
carbachol

>  <Catalog Number> (2,573)
S4359

>  <Synonyms> (2,573)
Carbamylcholine

>  <Target> (2,573)
Others

>  <Form> (2,573)
Chloride

>  <URL> (2,573)
http://www.selleckchem.com/products/carbachol.html

>  <CAS Number> (2,573)
51-83-2

$$$$
carbadox.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
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  9 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,574)
2574

>  <Formula> (2,574)
C11H10N4O4

>  <MolWeight> (2,574)
262.2215

>  <Item Name> (2,574)
carbadox

>  <Catalog Number> (2,574)
S4312

>  <Synonyms> (2,574)
N/A

>  <Target> (2,574)
Others

>  <Form> (2,574)
Free Base

>  <URL> (2,574)
http://www.selleckchem.com/products/carbadox.html

>  <CAS Number> (2,574)
6804-07-5

$$$$
Carbenoxolone disodiuM.cdx
csChFnd80/10101813032D

 45 47  0  0  0  0  0  0  0  0999 V2000
    8.4354    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7100    8.3854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   14.5017    9.0830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1759    8.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7510    2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5446    2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2271    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0189    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.7084   11.1708    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 23  1  0  0  0  0
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 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 17 27  1  1  0  0  0
 18 28  1  1  0  0  0
  9 29  1  1  0  0  0
  5 30  1  1  0  0  0
  2 31  1  1  0  0  0
 10 32  1  6  0  0  0
 11 33  1  6  0  0  0
 14 34  2  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
M  END
>  <Mol_ID> (2,575)
2575

>  <Formula> (2,575)
C34H48Na2O7

>  <MolWeight> (2,575)
614.72026

>  <Item Name> (2,575)
Carbenoxolone disodiuM

>  <Catalog Number> (2,575)
S4368

>  <Synonyms> (2,575)
N/A

>  <Target> (2,575)
Others

>  <Form> (2,575)
disodiuM

>  <URL> (2,575)
http://www.selleckchem.com/products/carbenoxolone-sodium.html

>  <CAS Number> (2,575)
7421-40-1

$$$$
ceftazidime pentahydrate.cdx
csChFnd80/10101813032D

 43 41  0  0  0  0  0  0  0  0999 V2000
   10.1565    7.9098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3825    8.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5861    7.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5739    6.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3577    5.8034    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1490    6.5098    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7424    6.5240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7632    7.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3825   10.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1701   10.7033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5950   10.7033    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.7986    8.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2327    8.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4421    7.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4360    6.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0111    6.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0669    4.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    4.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770    6.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4676    7.4054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   24.2237    7.4054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
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  1  8  1  0  0  0  0
  1  6  1  0  0  0  0
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M  END
>  <Mol_ID> (2,576)
2576

>  <Formula> (2,576)
C22H32N6O12S2

>  <MolWeight> (2,576)
636.65248

>  <Item Name> (2,576)
ceftazidime pentahydrate

>  <Catalog Number> (2,576)
S4314

>  <Synonyms> (2,576)
N/A

>  <Target> (2,576)
Others

>  <Form> (2,576)
Pentahydrate

>  <URL> (2,576)
http://www.selleckchem.com/products/ceftazidime-pentahydrate.html

>  <CAS Number> (2,576)
78439-06-2

$$$$
cephapirin sodium.cdx
csChFnd80/10101813032D

 29 30  0  0  0  0  0  0  0  0999 V2000
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    7.2163    3.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5985    4.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5985    5.8885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2171    6.5969    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4258    4.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2163    2.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6086    3.4937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6086    6.8784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8525    4.4868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3232    8.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3433   10.5730    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0640    2.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9979   11.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   12.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7373   13.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6741    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,577)
2577

>  <Formula> (2,577)
C17H16N3NaO6S2

>  <MolWeight> (2,577)
445.44521

>  <Item Name> (2,577)
cephapirin sodium

>  <Catalog Number> (2,577)
S4393 

>  <Synonyms> (2,577)
Cefapirin Sodium

>  <Target> (2,577)
Others

>  <Form> (2,577)
sodium

>  <URL> (2,577)
http://www.selleckchem.com/products/cephapirin-sodium.html

>  <CAS Number> (2,577)
24356-60-3

$$$$
cinoxacin.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.4202    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,578)
2578

>  <Formula> (2,578)
C12H10N2O5

>  <MolWeight> (2,578)
262.2182

>  <Item Name> (2,578)
cinoxacin

>  <Catalog Number> (2,578)
S4361 

>  <Synonyms> (2,578)
N/A

>  <Target> (2,578)
Others

>  <Form> (2,578)
Free Base

>  <URL> (2,578)
http://www.selleckchem.com/products/cinoxacin.html

>  <CAS Number> (2,578)
28657-80-9

$$$$
clofoctol.cdx
csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.1621    6.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    5.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0700    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 13  8  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
  6 16  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,579)
2579

>  <Formula> (2,579)
C21H26Cl2O

>  <MolWeight> (2,579)
365.33654

>  <Item Name> (2,579)
clofoctol

>  <Catalog Number> (2,579)
S4394 

>  <Synonyms> (2,579)
N/A

>  <Target> (2,579)
Others

>  <Form> (2,579)
Free Base

>  <URL> (2,579)
http://www.selleckchem.com/products/clofoctol.html

>  <CAS Number> (2,579)
37693-01-9

$$$$
DicycloMine Hydrochloride.cdx
csChFnd80/10101813032D

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    3.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    6.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,580)
2580

>  <Formula> (2,580)
C19H36ClNO2

>  <MolWeight> (2,580)
345.94764

>  <Item Name> (2,580)
DicycloMine  Hydrochloride

>  <Catalog Number> (2,580)
S4373 

>  <Synonyms> (2,580)
Dicycloverine HCl

>  <Target> (2,580)
Others

>  <Form> (2,580)
Hydrochloride

>  <URL> (2,580)
http://www.selleckchem.com/products/dicyclomine-hcl.html

>  <CAS Number> (2,580)
67-92-5

$$$$
diperodon hydrochloride.cdx
csChFnd80/10101813032D

 30 31  0  0  0  0  0  0  0  0999 V2000
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    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,581)
2581

>  <Formula> (2,581)
C22H28ClN3O4

>  <MolWeight> (2,581)
433.92842

>  <Item Name> (2,581)
diperodon hydrochloride

>  <Catalog Number> (2,581)
S4397

>  <Synonyms> (2,581)
N/A

>  <Target> (2,581)
Others

>  <Form> (2,581)
hydrochloride

>  <URL> (2,581)
http://www.selleckchem.com/products/diperodon-hcl.html

>  <CAS Number> (2,581)
537-12-2

$$$$
diphenylpyraline hydrochloride.cdx
csChFnd80/10101813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.3000    3.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,582)
2582

>  <Formula> (2,582)
C19H24ClNO

>  <MolWeight> (2,582)
317.85296

>  <Item Name> (2,582)
diphenylpyraline hydrochloride

>  <Catalog Number> (2,582)
S4321 

>  <Synonyms> (2,582)
N/A

>  <Target> (2,582)
Others

>  <Form> (2,582)
hydrochloride

>  <URL> (2,582)
http://www.selleckchem.com/products/diphenylpyraline-hcl.html

>  <CAS Number> (2,582)
132-18-3

$$$$
disopyramide phosphate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,583)
2583

>  <Formula> (2,583)
C21H32N3O5P

>  <MolWeight> (2,583)
437.469641

>  <Item Name> (2,583)
disopyramide phosphate

>  <Catalog Number> (2,583)
S4322 

>  <Synonyms> (2,583)
N/A

>  <Target> (2,583)
Others

>  <Form> (2,583)
phosphate

>  <URL> (2,583)
http://www.selleckchem.com/products/disopyramide-phosphate.html

>  <CAS Number> (2,583)
22059-60-5

$$$$
ethoxzolamide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,584)
2584

>  <Formula> (2,584)
C9H10N2O3S2

>  <MolWeight> (2,584)
258.3173

>  <Item Name> (2,584)
ethoxzolamide

>  <Catalog Number> (2,584)
S4326 

>  <Synonyms> (2,584)
N/A

>  <Target> (2,584)
Others

>  <Form> (2,584)
Free Base

>  <URL> (2,584)
http://www.selleckchem.com/products/ethoxzolamide.html

>  <CAS Number> (2,584)
452-35-7

$$$$
fosfomycin tromethamine .cdx
csChFnd80/10101813032D

 16 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,585)
2585

>  <Formula> (2,585)
C7H18NO7P

>  <MolWeight> (2,585)
259.194081

>  <Item Name> (2,585)
fosfomycin tromethamine

>  <Catalog Number> (2,585)
S4385 

>  <Synonyms> (2,585)
Phosphomycin Tromethamine, Phosphonomycin Tromethamine 

>  <Target> (2,585)
Others

>  <Form> (2,585)
tromethamine

>  <URL> (2,585)
http://www.selleckchem.com/products/fosfomycin-tromethamine.html

>  <CAS Number> (2,585)
78964-85-9

$$$$
glafenine hydrochloride.cdx
csChFnd80/10101813032D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,586)
2586

>  <Formula> (2,586)
C19H18Cl2N2O4

>  <MolWeight> (2,586)
409.26322

>  <Item Name> (2,586)
glafenine hydrochloride

>  <Catalog Number> (2,586)
S4362 

>  <Synonyms> (2,586)
N/A

>  <Target> (2,586)
Others

>  <Form> (2,586)
hydrochloride

>  <URL> (2,586)
http://www.selleckchem.com/products/glafenine-hcl.html

>  <CAS Number> (2,586)
65513-72-6

$$$$
IMipraMine hydrochloride.cdx
csChFnd80/10101813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,587)
2587

>  <Formula> (2,587)
C19H25ClN2

>  <MolWeight> (2,587)
316.8682

>  <Item Name> (2,587)
IMipraMine hydrochloride

>  <Catalog Number> (2,587)
S4377 

>  <Synonyms> (2,587)
Melipramine HCl

>  <Target> (2,587)
Others

>  <Form> (2,587)
hydrochloride

>  <URL> (2,587)
http://www.selleckchem.com/products/imipramine-hcl.html

>  <CAS Number> (2,587)
113-52-0

$$$$
isoetharine mesylate.cdx
csChFnd80/10101813032D

 22 21  0  0  0  0  0  0  0  0999 V2000
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    7.7000    5.4477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7000    3.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3835    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5960    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6835    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0835    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,588)
2588

>  <Formula> (2,588)
C14H25NO6S

>  <MolWeight> (2,588)
335.4164

>  <Item Name> (2,588)
isoetharine mesylate

>  <Catalog Number> (2,588)
S4330 

>  <Synonyms> (2,588)
N/A

>  <Target> (2,588)
Others

>  <Form> (2,588)
mesylate

>  <URL> (2,588)
http://www.selleckchem.com/products/isoetharine-mesylate.html

>  <CAS Number> (2,588)
7279-75-6

$$$$
isoxicam.cdx
csChFnd80/10101813032D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0906    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7468    0.0005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 20  1  0  0  0  0
  8 21  1  0  0  0  0
  7 22  2  0  0  0  0
  7 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,589)
2589

>  <Formula> (2,589)
C14H13N3O5S

>  <MolWeight> (2,589)
335.33512

>  <Item Name> (2,589)
isoxicam

>  <Catalog Number> (2,589)
S4398 

>  <Synonyms> (2,589)
N/A

>  <Target> (2,589)
Others

>  <Form> (2,589)
Free Base

>  <URL> (2,589)
http://www.selleckchem.com/products/isoxicam.html

>  <CAS Number> (2,589)
34552-84-6

$$$$
mepenzolate bromide.cdx
csChFnd80/10101813032D

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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6670    0.7120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9589    2.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4507    1.5312    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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 21 24  1  0  0  0  0
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M  END
>  <Mol_ID> (2,590)
2590

>  <Formula> (2,590)
C21H26BrNO3

>  <MolWeight> (2,590)
420.34004

>  <Item Name> (2,590)
mepenzolate bromide

>  <Catalog Number> (2,590)
S4375 

>  <Synonyms> (2,590)
N/A

>  <Target> (2,590)
Others

>  <Form> (2,590)
bromide

>  <URL> (2,590)
http://www.selleckchem.com/products/mepenzolate-bromide.html

>  <CAS Number> (2,590)
76-90-4

$$$$
mepiroxol.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4462    0.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,591)
2591

>  <Formula> (2,591)
C6H7NO2

>  <MolWeight> (2,591)
125.12528

>  <Item Name> (2,591)
mepiroxol

>  <Catalog Number> (2,591)
S4333 

>  <Synonyms> (2,591)
N/A

>  <Target> (2,591)
Others

>  <Form> (2,591)
Free Base

>  <URL> (2,591)
http://www.selleckchem.com/products/mepiroxol.html

>  <CAS Number> (2,591)
6968-72-5

$$$$
mesoridazine besylate.cdx
csChFnd80/10101813032D

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 14  9  1  0  0  0  0
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 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 33 36  2  0  0  0  0
M  END
>  <Mol_ID> (2,592)
2592

>  <Formula> (2,592)
C27H32N2O4S3

>  <MolWeight> (2,592)
544.74898

>  <Item Name> (2,592)
mesoridazine besylate

>  <Catalog Number> (2,592)
S4334 

>  <Synonyms> (2,592)
N/A

>  <Target> (2,592)
Others

>  <Form> (2,592)
besylate

>  <URL> (2,592)
http://www.selleckchem.com/products/mesoridazine-besylate.html

>  <CAS Number> (2,592)
32672-69-8

$$$$
metaproterenol sulfate(orciprenaline sulfate).cdx
csChFnd80/10101813032D

 35 34  0  0  0  0  0  0  0  0999 V2000
    1.2712   10.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,593)
2593

>  <Formula> (2,593)
C22H36N2O10S

>  <MolWeight> (2,593)
520.59364

>  <Item Name> (2,593)
metaproterenol sulfate

>  <Catalog Number> (2,593)
S4335 

>  <Synonyms> (2,593)
Orciprenaline Sulfate

>  <Target> (2,593)
Others

>  <Form> (2,593)
sulfate

>  <URL> (2,593)
http://www.selleckchem.com/products/metaproterenol-sulfate.html

>  <CAS Number> (2,593)
5874-97-5

$$$$
metaraminol bitartrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,594)
2594

>  <Formula> (2,594)
C13H19NO8

>  <MolWeight> (2,594)
317.29186

>  <Item Name> (2,594)
metaraminol bitartrate

>  <Catalog Number> (2,594)
S4336 

>  <Synonyms> (2,594)
Metaradrine Bitartrate

>  <Target> (2,594)
Others

>  <Form> (2,594)
bitartrate

>  <URL> (2,594)
http://www.selleckchem.com/products/metaraminol-bitartrate.html

>  <CAS Number> (2,594)
33402-03-8

$$$$
meticrane.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,595)
2595

>  <Formula> (2,595)
C10H13NO4S2

>  <MolWeight> (2,595)
275.34452

>  <Item Name> (2,595)
meticrane

>  <Catalog Number> (2,595)
S4339 

>  <Synonyms> (2,595)
N/A

>  <Target> (2,595)
Others

>  <Form> (2,595)
Free Base

>  <URL> (2,595)
http://www.selleckchem.com/products/meticrane.html

>  <CAS Number> (2,595)
1084-65-7

$$$$
Misoprostol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,596)
2596

>  <Formula> (2,596)
C22H38O5

>  <MolWeight> (2,596)
382.53412

>  <Item Name> (2,596)
Misoprostol

>  <Catalog Number> (2,596)
S4415 

>  <Synonyms> (2,596)
N/A

>  <Target> (2,596)
Others

>  <Form> (2,596)
Free Base

>  <URL> (2,596)
http://www.selleckchem.com/products/misoprostol.html

>  <CAS Number> (2,596)
59122-46-2

$$$$
nalmefene hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,597)
2597

>  <Formula> (2,597)
C21H26ClNO3

>  <MolWeight> (2,597)
375.88904

>  <Item Name> (2,597)
nalmefene hydrochloride

>  <Catalog Number> (2,597)
S4341 

>  <Synonyms> (2,597)
N/A

>  <Target> (2,597)
Others

>  <Form> (2,597)
hydrochloride

>  <URL> (2,597)
http://www.selleckchem.com/products/nalmefene-hcl.html

>  <CAS Number> (2,597)
58895-64-0

$$$$
nialamide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,598)
2598

>  <Formula> (2,598)
C16H18N4O2

>  <MolWeight> (2,598)
298.33972

>  <Item Name> (2,598)
nialamide

>  <Catalog Number> (2,598)
S4342 

>  <Synonyms> (2,598)
N/A

>  <Target> (2,598)
Others

>  <Form> (2,598)
Free Base

>  <URL> (2,598)
http://www.selleckchem.com/products/nialamide.html

>  <CAS Number> (2,598)
51-12-7

$$$$
nicotine ditartrate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,599)
2599

>  <Formula> (2,599)
C18H26N2O12

>  <MolWeight> (2,599)
462.40524

>  <Item Name> (2,599)
nicotine ditartrate

>  <Catalog Number> (2,599)
S4370

>  <Synonyms> (2,599)
http://www.selleckchem.com/products/nicotiN/A

>  <Target> (2,599)
Others

>  <Form> (2,599)
ditartrate

>  <URL> (2,599)
http://www.selleckchem.com/products/nicotine-ditartrate.html

>  <CAS Number> (2,599)
65-31-6

$$$$
nifenazone.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,600)
2600

>  <Formula> (2,600)
C17H16N4O2

>  <MolWeight> (2,600)
308.33454

>  <Item Name> (2,600)
nifenazone

>  <Catalog Number> (2,600)
S4401 

>  <Synonyms> (2,600)
N/A

>  <Target> (2,600)
Others

>  <Form> (2,600)
Free Base

>  <URL> (2,600)
http://www.selleckchem.com/products/nifenazone.html

>  <CAS Number> (2,600)
2139-47-1

$$$$
untitled.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,601)
2601

>  <Formula> (2,601)
C26H41NO10

>  <MolWeight> (2,601)
527.60444

>  <Item Name> (2,601)
oxelaidin citrate

>  <Catalog Number> (2,601)
S4402

>  <Synonyms> (2,601)
N/A

>  <Target> (2,601)
Others

>  <Form> (2,601)
citrate

>  <URL> (2,601)
http://www.selleckchem.com/products/oxeladin-citrate.html

>  <CAS Number> (2,601)
52432-72-1

$$$$
pasiniazid.cdx
csChFnd80/10101813032D

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pasiniazid

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S4404 

>  <Synonyms> (2,602)
N/A

>  <Target> (2,602)
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>  <Form> (2,602)
Isonicotinic 

>  <URL> (2,602)
http://www.selleckchem.com/products/pasiniazid.html

>  <CAS Number> (2,602)
2066-89-9

$$$$
pentoxifylline.cdx
csChFnd80/10101813032D

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>  <Formula> (2,603)
C13H18N4O3

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278.30702

>  <Item Name> (2,603)
pentoxifylline

>  <Catalog Number> (2,603)
S4345 

>  <Synonyms> (2,603)
N/A

>  <Target> (2,603)
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>  <Form> (2,603)
Free Base

>  <URL> (2,603)
http://www.selleckchem.com/products/pentoxifylline.html

>  <CAS Number> (2,603)
6493-05-6

$$$$
phthalylsulfacetamide.cdx
csChFnd80/10101813032D

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2604

>  <Formula> (2,604)
C16H14N2O6S

>  <MolWeight> (2,604)
362.35716

>  <Item Name> (2,604)
phthalylsulfacetamide

>  <Catalog Number> (2,604)
S4365 

>  <Synonyms> (2,604)
N/A

>  <Target> (2,604)
Others

>  <Form> (2,604)
Free Base

>  <URL> (2,604)
http://www.selleckchem.com/products/phthalylsulfacetamide.html

>  <CAS Number> (2,604)
131-69-1

$$$$
pimozide.cdx
csChFnd80/10101813032D

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2605

>  <Formula> (2,605)
C28H29F2N3O

>  <MolWeight> (2,605)
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>  <Item Name> (2,605)
pimozide

>  <Catalog Number> (2,605)
S4358 

>  <Synonyms> (2,605)
N/A

>  <Target> (2,605)
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>  <Form> (2,605)
Free Base

>  <URL> (2,605)
http://www.selleckchem.com/products/pimozide.html

>  <CAS Number> (2,605)
2062-78-4

$$$$
piromidic acid.cdx
csChFnd80/10101813032D

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2606

>  <Formula> (2,606)
C14H16N4O3

>  <MolWeight> (2,606)
288.30184

>  <Item Name> (2,606)
piromidic acid

>  <Catalog Number> (2,606)
S4348 

>  <Synonyms> (2,606)
N/A

>  <Target> (2,606)
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>  <Form> (2,606)
Free Base

>  <URL> (2,606)
http://www.selleckchem.com/products/piromidic-acid.html

>  <CAS Number> (2,606)
19562-30-2

$$$$
proadifen hydrochloride .cdx
csChFnd80/10101813032D

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    2.4249    2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8803    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  3 13  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,607)
2607

>  <Formula> (2,607)
C23H32ClNO2

>  <MolWeight> (2,607)
389.95868

>  <Item Name> (2,607)
proadifen hydrochloride

>  <Catalog Number> (2,607)
S4381 

>  <Synonyms> (2,607)
SKF 525-A HCl

>  <Target> (2,607)
Others

>  <Form> (2,607)
hydrochloride

>  <URL> (2,607)
http://www.selleckchem.com/products/proadifen-hcl.html

>  <CAS Number> (2,607)
62-68-0

$$$$
procodazole.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.9572    2.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5843    0.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5664    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9215    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2945    1.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3123    2.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7891    3.1188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6942    2.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1856    0.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448    2.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3471    1.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9977    2.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6460    3.3653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,608)
2608

>  <Formula> (2,608)
C10H10N2O2

>  <MolWeight> (2,608)
190.1986

>  <Item Name> (2,608)
procodazole

>  <Catalog Number> (2,608)
S4408 

>  <Synonyms> (2,608)
N/A

>  <Target> (2,608)
Others

>  <Form> (2,608)
Free Base

>  <URL> (2,608)
http://www.selleckchem.com/products/procodazole.html

>  <CAS Number> (2,608)
23249-97-0

$$$$
procyclidine hydrochloride.cdx
csChFnd80/10101813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4730    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    3.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9355    3.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5355    3.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8355    2.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5355    0.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9355    0.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    2.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3307    5.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.6827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1963    0.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2677    1.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3331    2.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8270    4.0477    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,609)
2609

>  <Formula> (2,609)
C19H30ClNO

>  <MolWeight> (2,609)
323.9006

>  <Item Name> (2,609)
procyclidine hydrochloride

>  <Catalog Number> (2,609)
S4349 

>  <Synonyms> (2,609)
N/A

>  <Target> (2,609)
Others

>  <Form> (2,609)
hydrochloride

>  <URL> (2,609)
http://www.selleckchem.com/products/procyclidine-hcl.html

>  <CAS Number> (2,609)
1508-76-5

$$$$
ractopamine hydrochloride.cdx
csChFnd80/10101813032D

 23 23  0  0  0  0  0  0  0  0999 V2000
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0837    0.2320    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,610)
2610

>  <Formula> (2,610)
C18H24ClNO3

>  <MolWeight> (2,610)
337.84106

>  <Item Name> (2,610)
ractopamine hydrochloride

>  <Catalog Number> (2,610)
S4351 

>  <Synonyms> (2,610)
N/A

>  <Target> (2,610)
Others

>  <Form> (2,610)
hydrochloride

>  <URL> (2,610)
http://www.selleckchem.com/products/ractopamine-hcl.html

>  <CAS Number> (2,610)
90274-24-1

$$$$
SodiuM 4-aMinohippurate hydrate.cdx
csChFnd80/10101813032D

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1247    3.4523    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7805    1.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8824    4.2292    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,611)
2611

>  <Formula> (2,611)
C9H9N2NaO3

>  <MolWeight> (2,611)
216.16913

>  <Item Name> (2,611)
SodiuM 4-aMinohippurate hydrate

>  <Catalog Number> (2,611)
S4414 

>  <Synonyms> (2,611)
N/A

>  <Target> (2,611)
Others

>  <Form> (2,611)
Sodium

>  <URL> (2,611)
http://www.selleckchem.com/products/sodium-4-aminohippurate-hydrate.html

>  <CAS Number> (2,611)
94-16-6

$$$$
tacrine hydrochlorid.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.2758    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0616    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    0.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0639    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    2.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    0.0020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0011    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6356    4.1971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0157    4.3332    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,612)
2612

>  <Formula> (2,612)
C13H15ClN2

>  <MolWeight> (2,612)
234.7246

>  <Item Name> (2,612)
tacrine hydrochlorid

>  <Catalog Number> (2,612)
S4357 

>  <Synonyms> (2,612)
N/A

>  <Target> (2,612)
Others

>  <Form> (2,612)
hydrochlorid

>  <URL> (2,612)
http://www.selleckchem.com/products/tacrine-hcl.html

>  <CAS Number> (2,612)
1684-40-8

$$$$
terfenadine.cdx
csChFnd80/10101813032D

 35 38  0  0  0  0  0  0  0  0999 V2000
    3.5000    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    1.7751    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2000    1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    0.5627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000    1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    3.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    0.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8000    1.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,613)
2613

>  <Formula> (2,613)
C32H41NO2

>  <MolWeight> (2,613)
471.67344

>  <Item Name> (2,613)
terfenadine

>  <Catalog Number> (2,613)
S4353 

>  <Synonyms> (2,613)
N/A

>  <Target> (2,613)
Others

>  <Form> (2,613)
Free Base

>  <URL> (2,613)
http://www.selleckchem.com/products/terfenadine.html

>  <CAS Number> (2,613)
50679-08-8

$$$$
Thioridazine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,614)
2614

>  <Formula> (2,614)
C21H27ClN2S2

>  <MolWeight> (2,614)
407.03548

>  <Item Name> (2,614)
Thioridazine hydrochloride

>  <Catalog Number> (2,614)
S5563

>  <Synonyms> (2,614)
Aldazine, Mellaril

>  <Target> (2,614)
Others

>  <Form> (2,614)
hydrochloride 

>  <URL> (2,614)
http://selleckchem.com/products/thioridazine-hydrochloride.html

>  <CAS Number> (2,614)
130-61-0

$$$$
tolmetin sodium.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,615)
2615

>  <Formula> (2,615)
C15H18NNaO5

>  <MolWeight> (2,615)
315.29689

>  <Item Name> (2,615)
tolmetin sodium

>  <Catalog Number> (2,615)
S4360 

>  <Synonyms> (2,615)
N/A

>  <Target> (2,615)
Others

>  <Form> (2,615)
sodium

>  <URL> (2,615)
http://www.selleckchem.com/products/tolmetin-sodium.html

>  <CAS Number> (2,615)
64490-92-2

$$$$
Ebastine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,616)
2616

>  <Formula> (2,616)
C32H39NO2

>  <MolWeight> (2,616)
469.65756

>  <Item Name> (2,616)
Ebastine

>  <Catalog Number> (2,616)
S4262 

>  <Synonyms> (2,616)
N/A

>  <Target> (2,616)
Others

>  <Form> (2,616)
Free Base

>  <URL> (2,616)
http://www.selleckchem.com/products/ebastine.html

>  <CAS Number> (2,616)
90729-43-4

$$$$
bms-345541.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,617)
2617

>  <Formula> (2,617)
C14H17N5

>  <MolWeight> (2,617)
255.31828

>  <Item Name> (2,617)
bms-345541

>  <Catalog Number> (2,617)
S8044

>  <Synonyms> (2,617)
N/A

>  <Target> (2,617)
I¦ÊB/IKK

>  <Form> (2,617)
Free Base

>  <URL> (2,617)
http://www.selleckchem.com/products/bms-345541.html

>  <CAS Number> (2,617)
445430-58-0

$$$$
BMS-833923 (XL139).cdx
csChFnd80/10101813032D

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http://www.selleckchem.com/products/iowh032.html

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1191252-49-9

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519055-62-0

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DYRK

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http://www.selleckchem.com/products/az191.html

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Histone Methyltransferase

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>  <URL> (2,635)
http://www.selleckchem.com/products/mm-102.html

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1417329-24-8

$$$$
Pacritinib (SB1518).cdx
csChFnd80/10101813032D

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JAK

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>  <URL> (2,636)
http://www.selleckchem.com/products/pacritinib-sb1518.html

>  <CAS Number> (2,636)
937272-79-2

$$$$
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Reverse Transcriptase

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http://www.selleckchem.com/products/rilpivirine.html

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500287-72-9

$$$$
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Sorafenib.cdx
csChFnd80/10101813032D

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Raf

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Free Base

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http://www.selleckchem.com/products/sorafenib.html

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284461-73-0

$$$$
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csChFnd80/10101813032D

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HDAC

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Free Base

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http://www.selleckchem.com/products/rg2833-rgfp109.html

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1215493-56-3

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PF-562271.cdx
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$$$$
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csChFnd80/10101813032D

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>  <Formula> (2,650)
C23H20N6O

>  <MolWeight> (2,650)
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>  <Item Name> (2,650)
LGK-974

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S7143

>  <Synonyms> (2,650)
N/A

>  <Target> (2,650)
Wnt/beta-catenin

>  <Form> (2,650)
Free Base

>  <URL> (2,650)
http://www.selleckchem.com/products/lgk-974.html

>  <CAS Number> (2,650)
1243244-14-5

$$$$
guanethidine sulfate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,651)
2651

>  <Formula> (2,651)
C20H46N8O4S

>  <MolWeight> (2,651)
494.69544

>  <Item Name> (2,651)
guanethidine sulfate

>  <Catalog Number> (2,651)
S4328

>  <Synonyms> (2,651)
N/A

>  <Target> (2,651)
Others

>  <Form> (2,651)
sulfate

>  <URL> (2,651)
http://www.selleckchem.com/products/guanethidine-sulfate.html

>  <CAS Number> (2,651)
60-02-6

$$$$
Aceclidine Hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,652)
2652

>  <Formula> (2,652)
C9H16ClNO2

>  <MolWeight> (2,652)
205.68184

>  <Item Name> (2,652)
Aceclidine HCl

>  <Catalog Number> (2,652)
S4376

>  <Synonyms> (2,652)
N/A

>  <Target> (2,652)
Others

>  <Form> (2,652)
hydrochloride

>  <URL> (2,652)
http://www.selleckchem.com/products/aceclidine-hcl.html

>  <CAS Number> (2,652)
6109-70-2

$$$$
Difluoxacin hydrochloride .cdx
csChFnd80/10101813032D

 30 32  0  0  0  0  0  0  0  0999 V2000
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2653

>  <Formula> (2,653)
C21H20ClF2N3O3

>  <MolWeight> (2,653)
435.8516064

>  <Item Name> (2,653)
Difloxacin HCl

>  <Catalog Number> (2,653)
S4384

>  <Synonyms> (2,653)
N/A

>  <Target> (2,653)
Others

>  <Form> (2,653)
hydrochloride

>  <URL> (2,653)
http://www.selleckchem.com/products/difloxacin-hcl.html

>  <CAS Number> (2,653)
91296-86-5

$$$$
LM-3067 4¦Ì8C.cdx
csChFnd80/10101813032D

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>  <Formula> (2,654)
C11H8O4

>  <MolWeight> (2,654)
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>  <Item Name> (2,654)
4¦Ì8C

>  <Catalog Number> (2,654)
S7272 

>  <Synonyms> (2,654)
N/A

>  <Target> (2,654)
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>  <Form> (2,654)
Free Base

>  <URL> (2,654)
http://www.selleckchem.com/products/4u8c.html

>  <CAS Number> (2,654)
14003-96-4

$$$$
AZ20.cdx
csChFnd80/10101813032D

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1314241-44-5

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1225451-84-2

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676596-65-9

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1229208-44-9

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/10101813032D

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Rho

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No

$$$$
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TGF-beta/Smad

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Free Base

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http://www.selleckchem.com/products/dmh1.html

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1206711-16-1

$$$$
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BMP Inhibitor III

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TGF-beta/Smad

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1432597-26-6

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C30H27BrN4O2

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LB42708

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S7467

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N/A

>  <Target> (2,704)
Transferase

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Free Base

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http://www.selleckchem.com/products/lb42708.html

>  <CAS Number> (2,704)
226929-39-1

$$$$
CGP 57380.cdx
csChFnd80/10101813032D

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>  <Formula> (2,705)
C11H9FN6

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CGP 57380

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S7421

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N/A

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MNK

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Free Base

>  <URL> (2,705)
http://www.selleckchem.com/products/cgp57380.html

>  <CAS Number> (2,705)
522629-08-9

$$$$
E-64c (Loxistatin Acid).cdx
csChFnd80/10101813032D

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2706

>  <Formula> (2,706)
C15H26N2O5

>  <MolWeight> (2,706)
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>  <Item Name> (2,706)
Loxistatin Acid (E-64C)

>  <Catalog Number> (2,706)
S7392

>  <Synonyms> (2,706)
NSC 694279, EP 475

>  <Target> (2,706)
Cysteine Protease

>  <Form> (2,706)
Free Base

>  <URL> (2,706)
http://www.selleckchem.com/products/loxistatin-acid-e-64c.html

>  <CAS Number> (2,706)
76684-89-4

$$$$
Dimethyloxalylglycine (DMOG).cdx
csChFnd80/10101813032D

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2707

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C6H9NO5

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DMOG

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Dimethyloxalylglycine

>  <Target> (2,707)
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>  <Form> (2,707)
Free Base

>  <URL> (2,707)
http://www.selleckchem.com/products/dmog.html

>  <CAS Number> (2,707)
89464-63-1

$$$$
Trelagliptin.cdx
csChFnd80/10101813032D

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>  <Formula> (2,708)
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>  <MolWeight> (2,708)
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>  <Target> (2,708)
DPP-4

>  <Form> (2,708)
Free Base

>  <URL> (2,708)
http://www.selleckchem.com/products/trelagliptin.html

>  <CAS Number> (2,708)
865759-25-7

$$$$
PU-H71.cdx
csChFnd80/10101813032D

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PU-H71

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>  <Target> (2,709)
HSP 

>  <Form> (2,709)
Free Base

>  <URL> (2,709)
http://www.selleckchem.com/products/pu-h71.html

>  <CAS Number> (2,709)
873436-91-0

$$$$
NMS-E973.cdx
csChFnd80/10101813032D

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1357302-64-7

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Histone Acetyltransferase

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M  END
>  <Mol_ID> (2,740)
2740

>  <Formula> (2,740)
C17H14Br3N5OS

>  <MolWeight> (2,740)
576.10296

>  <Item Name> (2,740)
PTC-209 HBr

>  <Catalog Number> (2,740)
S7539

>  <Synonyms> (2,740)
N/A

>  <Target> (2,740)
Others

>  <Form> (2,740)
Free Base

>  <URL> (2,740)
http://www.selleckchem.com/products/ptc-209-hbr.html

>  <CAS Number> (2,740)
1217022-63-3

$$$$
CX-6258 HCl .cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,741)
2741

>  <Formula> (2,741)
C26H25Cl2N3O3

>  <MolWeight> (2,741)
498.401

>  <Item Name> (2,741)
CX-6258 HCl

>  <Catalog Number> (2,741)
S7041

>  <Synonyms> (2,741)
N/A

>  <Target> (2,741)
Pim

>  <Form> (2,741)
Hydrochloride

>  <URL> (2,741)
http://www.selleckchem.com/products/CX-6258.html

>  <CAS Number> (2,741)
1353859-00-3

$$$$
EHT 1864.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,742)
2742

>  <Formula> (2,742)
C25H29Cl2F3N2O4S

>  <MolWeight> (2,742)
581.4749696

>  <Item Name> (2,742)
EHT 1864 2HCl

>  <Catalog Number> (2,742)
S7482

>  <Synonyms> (2,742)
N/A

>  <Target> (2,742)
Rho

>  <Form> (2,742)
Dihydrochloride

>  <URL> (2,742)
http://www.selleckchem.com/products/eht-1864.html

>  <CAS Number> (2,742)
754240-09-0

$$$$
EMD 1214063.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,743)
2743

>  <Formula> (2,743)
C29H28N6O2

>  <MolWeight> (2,743)
492.57162

>  <Item Name> (2,743)
Tepotinib (EMD 1214063)

>  <Catalog Number> (2,743)
S7067

>  <Synonyms> (2,743)
N/A

>  <Target> (2,743)
c-Met

>  <Form> (2,743)
Free Base

>  <URL> (2,743)
http://www.selleckchem.com/products/emd-1214063.html

>  <CAS Number> (2,743)
1100598-32-0

$$$$
LDC000067.cdx
csChFnd80/10101813032D

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1001753-24-7

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910232-84-7

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PI-1840.cdx
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http://www.selleckchem.com/products/--p-Bromotetramisole-Oxalate.html

>  <CAS Number> (2,752)
62284-79-1

$$$$
AEBSF hydrochloride .cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,753)
2753

>  <Formula> (2,753)
C8H11ClFNO2S

>  <MolWeight> (2,753)
239.6948432

>  <Item Name> (2,753)
AEBSF HCl

>  <Catalog Number> (2,753)
S7378

>  <Synonyms> (2,753)
N/A

>  <Target> (2,753)
Serine Protease

>  <Form> (2,753)
Hydrochloride

>  <URL> (2,753)
http://www.selleckchem.com/products/aebsf-hcl.html

>  <CAS Number> (2,753)
30827-99-7

$$$$
MALT1 inhibitor.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,754)
2754

>  <Formula> (2,754)
C19H17Cl3N4O3

>  <MolWeight> (2,754)
455.72228

>  <Item Name> (2,754)
MI-2 (MALT1 inhibitor)

>  <Catalog Number> (2,754)
S7429

>  <Synonyms> (2,754)
N/A

>  <Target> (2,754)
MALT

>  <Form> (2,754)
Free Base

>  <URL> (2,754)
http://www.selleckchem.com/products/mi-2-malt1-inhibitor.html

>  <CAS Number> (2,754)
1047953-91-2

$$$$
TAPI-1.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,755)
2755

>  <Formula> (2,755)
C26H37N5O5

>  <MolWeight> (2,755)
499.60248

>  <Item Name> (2,755)
TAPI-1

>  <Catalog Number> (2,755)
S7434

>  <Synonyms> (2,755)
N/A

>  <Target> (2,755)
Others

>  <Form> (2,755)
Free Base

>  <URL> (2,755)
http://www.selleckchem.com/products/tapi-1.html

>  <CAS Number> (2,755)
171235-71-5

$$$$
PF-3758309.cdx
csChFnd80/10101813032D

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2756

>  <Formula> (2,756)
C25H30N8OS

>  <MolWeight> (2,756)
490.6237

>  <Item Name> (2,756)
PF-3758309

>  <Catalog Number> (2,756)
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>  <Synonyms> (2,756)
PF-03758309

>  <Target> (2,756)
PAK

>  <Form> (2,756)
Free Base

>  <URL> (2,756)
http://www.selleckchem.com/products/pf-3758309.html

>  <CAS Number> (2,756)
898044-15-0

$$$$
CPI203 .cdx
csChFnd80/10101813032D

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Epigenetic Reader Domain

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Free Base

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http://www.selleckchem.com/products/cpi-203.html

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1446144-04-2

$$$$
FH535.cdx
csChFnd80/10101813032D

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C13H10Cl2N2O4S

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FH535

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N/A

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Wnt/beta-catenin

>  <Form> (2,758)
Free Base

>  <URL> (2,758)
http://www.selleckchem.com/products/fh535.html

>  <CAS Number> (2,758)
108409-83-2

$$$$
Leupeptin hemisulfate .cdx
csChFnd80/10101813032D

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Leupeptin Hemisulfate

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S7380

>  <Synonyms> (2,759)
N/A

>  <Target> (2,759)
Serine Protease

>  <Form> (2,759)
Free Base

>  <URL> (2,759)
http://www.selleckchem.com/products/leupeptin-hemisulfate.html

>  <CAS Number> (2,759)
103476-89-7

$$$$
Puromycin dihydrochloride.cdx
csChFnd80/10101813032D

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>  <Formula> (2,760)
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Puromycin 2HCl

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>  <Synonyms> (2,760)
N/A

>  <Target> (2,760)
Antifection

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Dihydrochloride

>  <URL> (2,760)
http://www.selleckchem.com/products/Puromycin-2HCl.html

>  <CAS Number> (2,760)
58-58-2

$$$$
TMP269.cdx
csChFnd80/10101813032D

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HIV Protease

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Free Base

>  <URL> (2,769)
http://www.selleckchem.com/products/pepstatin-a.html

>  <CAS Number> (2,769)
26305-03-3

$$$$
PD173955 .cdx
csChFnd80/10101813032D

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C21H18Cl2N4OS

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PD173955

>  <Catalog Number> (2,770)
S7269

>  <Synonyms> (2,770)
N/A 

>  <Target> (2,770)
Bcr-Abl

>  <Form> (2,770)
Free Base

>  <URL> (2,770)
http://www.selleckchem.com/products/pd173955.html

>  <CAS Number> (2,770)
260415-63-2

$$$$
Rilmenidine phosphate.cdx
csChFnd80/10101813032D

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C10H19N2O5P

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>  <Item Name> (2,771)
Rilmenidine Phosphate

>  <Catalog Number> (2,771)
S7548

>  <Synonyms> (2,771)
N/A

>  <Target> (2,771)
Others

>  <Form> (2,771)
Phosphate

>  <URL> (2,771)
http://www.selleckchem.com/products/rilmenidine-phosphate.html

>  <CAS Number> (2,771)
85409-38-7

$$$$
BAY 87-2243.cdx
csChFnd80/10101813032D

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BAY 87-2243

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N/A

>  <Target> (2,772)
HIF

>  <Form> (2,772)
Free Base

>  <URL> (2,772)
http://www.selleckchem.com/products/bay-87-2243.html

>  <CAS Number> (2,772)
1227158-85-1

$$$$
SB-3CT.cdx
csChFnd80/10101813032D

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SB-3CT

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MMP

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Free Base

>  <URL> (2,773)
http://www.selleckchem.com/products/sb-3ct.html

>  <CAS Number> (2,773)
292605-14-2

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/10101813032D

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K-Ras(G12C) inhibitor 9

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N/A

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Rho

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Free Base

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http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

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1469337-91-4

$$$$
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STAT

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Free Base

>  <URL> (2,775)
http://www.selleckchem.com/products/sh-4-54.html

>  <CAS Number> (2,775)
1456632-40-8

$$$$
GDC0994.cdx
csChFnd80/10101813032D

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>  <URL> (2,776)
http://www.selleckchem.com/products/gdc-0994.html

>  <CAS Number> (2,776)
1453848-26-4

$$$$
Micafungin sodium.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,777)
2777

>  <Formula> (2,777)
C56H70N9NaO23S

>  <MolWeight> (2,777)
1292.25627

>  <Item Name> (2,777)
Micafungin Sodium

>  <Catalog Number> (2,777)
S4287

>  <Synonyms> (2,777)
FK463 Sodium

>  <Target> (2,777)
Antifection

>  <Form> (2,777)
Sodium Salt

>  <URL> (2,777)
http://www.selleckchem.com/products/micafungin-sodium.html

>  <CAS Number> (2,777)
208538-73-2

$$$$
Zotarolimus.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,778)
2778

>  <Formula> (2,778)
C52H79N5O12

>  <MolWeight> (2,778)
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>  <Item Name> (2,778)
Zotarolimus (ABT-578)

>  <Catalog Number> (2,778)
S7091

>  <Synonyms> (2,778)
N/A

>  <Target> (2,778)
mTOR

>  <Form> (2,778)
Free Base

>  <URL> (2,778)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

>  <CAS Number> (2,778)
221877-54-9

$$$$
PD 151746 .cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,779)
2779

>  <Formula> (2,779)
C11H8FNO2S

>  <MolWeight> (2,779)
237.2501232

>  <Item Name> (2,779)
PD 151746

>  <Catalog Number> (2,779)
S7424

>  <Synonyms> (2,779)
N/A

>  <Target> (2,779)
Cysteine Protease

>  <Form> (2,779)
Free Base

>  <URL> (2,779)
http://www.selleckchem.com/products/pd-151746.html

>  <CAS Number> (2,779)
179461-52-0

$$$$
Go6976.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,783)
2783

>  <Formula> (2,783)
C23H34N3Na2O10P

>  <MolWeight> (2,783)
589.483461

>  <Item Name> (2,783)
Phosphoramidon Disodium Salt

>  <Catalog Number> (2,783)
S7382

>  <Synonyms> (2,783)
N/A

>  <Target> (2,783)
Others

>  <Form> (2,783)
Disodium Salt

>  <URL> (2,783)
http://www.selleckchem.com/products/phosphoramidon-disodium-salt.html

>  <CAS Number> (2,783)
164204-38-0

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,784)
2784

>  <Formula> (2,784)
C19H17NO3

>  <MolWeight> (2,784)
307.34318

>  <Item Name> (2,784)
SF1670 (PTEN inhibitor)

>  <Catalog Number> (2,784)
S7310

>  <Synonyms> (2,784)
N/A

>  <Target> (2,784)
PTEN

>  <Form> (2,784)
Free Base

>  <URL> (2,784)
http://www.selleckchem.com/products/sf1670.html

>  <CAS Number> (2,784)
345630-40-2

$$$$
IM-12.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,785)
2785

>  <Formula> (2,785)
C22H20FN3O2

>  <MolWeight> (2,785)
377.4115032

>  <Item Name> (2,785)
IM-12

>  <Catalog Number> (2,785)
S7566

>  <Synonyms> (2,785)
N/A

>  <Target> (2,785)
GSK-3

>  <Form> (2,785)
Free Base

>  <URL> (2,785)
http://www.selleckchem.com/products/im-12.html

>  <CAS Number> (2,785)
1129669-05-1

$$$$
deltarasin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,786)
2786

>  <Formula> (2,786)
C40H37N5O

>  <MolWeight> (2,786)
603.75468

>  <Item Name> (2,786)
Deltarasin

>  <Catalog Number> (2,786)
S7224

>  <Synonyms> (2,786)
N/A

>  <Target> (2,786)
PDE

>  <Form> (2,786)
Free Base

>  <URL> (2,786)
http://www.selleckchem.com/products/deltarasin.html

>  <CAS Number> (2,786)
1440898-61-2

$$$$
 Optovin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,787)
2787

>  <Formula> (2,787)
C15H13N3OS2

>  <MolWeight> (2,787)
315.41322

>  <Item Name> (2,787)
Optovin

>  <Catalog Number> (2,787)
S8073

>  <Synonyms> (2,787)
N/A

>  <Target> (2,787)
Calcium Channel

>  <Form> (2,787)
Free Base

>  <URL> (2,787)
http://www.selleckchem.com/products/optovin.html

>  <CAS Number> (2,787)
348575-88-2

$$$$
Amifostine .cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,788)
2788

>  <Formula> (2,788)
C5H21N2O6PS

>  <MolWeight> (2,788)
268.268801

>  <Item Name> (2,788)
Amifostine

>  <Catalog Number> (2,788)
S4298

>  <Synonyms> (2,788)
N/A

>  <Target> (2,788)
Others

>  <Form> (2,788)
Trihydrate

>  <URL> (2,788)
http://www.selleckchem.com/products/amifostine.html

>  <CAS Number> (2,788)
112901-68-5

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/10101813032D

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 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,789)
2789

>  <Formula> (2,789)
C20H18FN5O2

>  <MolWeight> (2,789)
379.3876232

>  <Item Name> (2,789)
HSP990 (NVP-HSP990)

>  <Catalog Number> (2,789)
S7097

>  <Synonyms> (2,789)
N/A

>  <Target> (2,789)
HSP (e.g. HSP90)

>  <Form> (2,789)
Free Base

>  <URL> (2,789)
http://www.selleckchem.com/products/hsp990-nvp-hsp990.html

>  <CAS Number> (2,789)
934343-74-5

$$$$
Biapenem.cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.1544    0.4326    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 10 14  1  0  0  0  0
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  7  9  1  0  0  0  0
 14 25  1  1  0  0  0
M  END
>  <Mol_ID> (2,790)
2790

>  <Formula> (2,790)
C15H18N4O4S

>  <MolWeight> (2,790)
350.39282

>  <Item Name> (2,790)
Biapenem

>  <Catalog Number> (2,790)
S1370

>  <Synonyms> (2,790)
L-627, LJC10627

>  <Target> (2,790)
Antifection

>  <Form> (2,790)
Free Base

>  <URL> (2,790)
http://www.selleckchem.com/products/Biapenem.html

>  <CAS Number> (2,790)
120410-24-4

$$$$
Caspofungin acetate.cdx
csChFnd80/10101813032D

 90 91  0  0  0  0  0  0  0  0999 V2000
    1.2082   14.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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>  <Item Name> (2,791)
Caspofungin Acetate

>  <Catalog Number> (2,791)
S3073

>  <Synonyms> (2,791)
N/A

>  <Target> (2,791)
Antifection

>  <Form> (2,791)
diacetate

>  <URL> (2,791)
http://www.selleckchem.com/products/caspofungin-acetate.html

>  <CAS Number> (2,791)
179463-17-3

$$$$
INVEGA (paliperidone).cdx
csChFnd80/10101813032D

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>  <Item Name> (2,792)
Paliperidone

>  <Catalog Number> (2,792)
S1724

>  <Synonyms> (2,792)
N/A

>  <Target> (2,792)
Dopamine Receptor

>  <Form> (2,792)
Free Base

>  <URL> (2,792)
http://www.selleckchem.com/products/Paliperidone(Invega).html

>  <CAS Number> (2,792)
144598-75-4

$$$$
Teicoplanin.cdx
csChFnd80/10101813032D

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A  185
?R:?
M  END
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Teichomycin

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Free Base

>  <URL> (2,793)
http://www.selleckchem.com/products/Teicoplanin.html

>  <CAS Number> (2,793)
61036-62-2

$$$$
CAY10683 (Santacruzamate A).cdx
csChFnd80/10101813032D

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Santacruzamate A (CAY10683)

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N/A

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HDAC

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Free Base

>  <URL> (2,794)
http://www.selleckchem.com/products/santacruzamate-a-cay10683.html

>  <CAS Number> (2,794)
1477949-42-0

$$$$
6H05.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,802)
2802

>  <Formula> (2,802)
C17H20ClF4N7O

>  <MolWeight> (2,802)
449.8336128

>  <Item Name> (2,802)
GNE-9605

>  <Catalog Number> (2,802)
S7368

>  <Synonyms> (2,802)
N/A

>  <Target> (2,802)
LRRK2

>  <Form> (2,802)
Free Base

>  <URL> (2,802)
http://www.selleckchem.com/products/gne-9605.html

>  <CAS Number> (2,802)
1536200-31-3

$$$$
filgotinib.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,803)
2803

>  <Formula> (2,803)
C21H23N5O3S

>  <MolWeight> (2,803)
425.50402

>  <Item Name> (2,803)
Filgotinib£¨GLPG0643)

>  <Catalog Number> (2,803)
S7605

>  <Synonyms> (2,803)
N/A

>  <Target> (2,803)
JAK

>  <Form> (2,803)
Free Base

>  <URL> (2,803)
http://www.selleckchem.com/products/filgotinib.html

>  <CAS Number> (2,803)
1206161-97-8

$$$$
Z-DEVD-FMK.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,804)
2804

>  <Formula> (2,804)
C31H42FN3O12

>  <MolWeight> (2,804)
667.6764832

>  <Item Name> (2,804)
Z-DEVD-FMK

>  <Catalog Number> (2,804)
S7312

>  <Synonyms> (2,804)
Caspase-3 Inhibitor

>  <Target> (2,804)
Caspase

>  <Form> (2,804)
Free Base

>  <URL> (2,804)
http://www.selleckchem.com/products/z-devd-fmk.html

>  <CAS Number> (2,804)
210344-95-9

$$$$
PFI-3.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,805)
2805

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>  <Item Name> (2,805)
PFI-3

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S7315

>  <Synonyms> (2,805)
N/A

>  <Target> (2,805)
Epigenetic Reader Domain

>  <Form> (2,805)
Free Base

>  <URL> (2,805)
http://www.selleckchem.com/products/pfi-3.html

$$$$
Erythromycin cyclocarbonate.cdx
csChFnd80/10101813032D

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M  END
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2806

>  <Formula> (2,806)
C38H65NO14

>  <MolWeight> (2,806)
759.921

>  <Item Name> (2,806)
Erythromycin Cyclocarbonate

>  <Catalog Number> (2,806)
S7550

>  <Synonyms> (2,806)
N/A

>  <Target> (2,806)
Antifection

>  <Form> (2,806)
Free Base

>  <URL> (2,806)
http://www.selleckchem.com/products/erythromycin-cyclocarbonate.html

>  <CAS Number> (2,806)
55224-05-0

$$$$
PF-04449913.cdx
csChFnd80/10101813032D

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M  END
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2807

>  <Formula> (2,807)
C21H22N6O

>  <MolWeight> (2,807)
374.43898

>  <Item Name> (2,807)
Glasdegib (PF-04449913)

>  <Catalog Number> (2,807)
S7160

>  <Synonyms> (2,807)
N/A

>  <Target> (2,807)
Hedgehog/Smoothened

>  <Form> (2,807)
Free Base

>  <URL> (2,807)
http://www.selleckchem.com/products/glasdegib-pf-04449913.html

>  <CAS Number> (2,807)
1095173-27-5

$$$$
LCL161.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,808)
2808

>  <Formula> (2,808)
C26H33FN4O3S

>  <MolWeight> (2,808)
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>  <Item Name> (2,808)
LCL161

>  <Catalog Number> (2,808)
S7009

>  <Synonyms> (2,808)
N/A

>  <Target> (2,808)
IAP

>  <Form> (2,808)
Free Base

>  <URL> (2,808)
http://www.selleckchem.com/products/lcl161.html

>  <CAS Number> (2,808)
1005342-46-0

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/10101813032D

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    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,809)
2809

>  <Formula> (2,809)
C15H17ClIN3O3

>  <MolWeight> (2,809)
449.67125

>  <Item Name> (2,809)
K-Ras(G12C) inhibitor 12

>  <Catalog Number> (2,809)
S7331

>  <Synonyms> (2,809)
N/A

>  <Target> (2,809)
Rho

>  <Form> (2,809)
Free Base

>  <URL> (2,809)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

>  <CAS Number> (2,809)
1469337-95-8

$$$$
Tasquinimod .cdx
csChFnd80/10101813032D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,810)
2810

>  <Formula> (2,810)
C20H17F3N2O4

>  <MolWeight> (2,810)
406.3551896

>  <Item Name> (2,810)
Tasquinimod

>  <Catalog Number> (2,810)
S7617

>  <Synonyms> (2,810)
ABR-215050

>  <Target> (2,810)
HDAC

>  <Form> (2,810)
Free Base

>  <URL> (2,810)
http://www.selleckchem.com/products/tasquinimod.html

>  <CAS Number> (2,810)
254964-60-8

$$$$
AGK 2.cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.8229    2.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4563    3.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5828    1.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3426    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8451    3.6588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    4.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5427    4.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9382    4.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6294    6.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9205    7.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5206    7.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8294    6.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0470    3.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7382    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0297    6.1029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4297    2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6699    3.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1903    4.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1150    5.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2733    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6214    5.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3921    6.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0814    7.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5400    4.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7685    3.0479    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8529    8.5627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  3  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
  1 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 18  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,811)
2811

>  <Formula> (2,811)
C23H13Cl2N3O2

>  <MolWeight> (2,811)
434.27422

>  <Item Name> (2,811)
AGK2

>  <Catalog Number> (2,811)
S7577

>  <Synonyms> (2,811)
N/A

>  <Target> (2,811)
Sirtuin

>  <Form> (2,811)
Free Base

>  <URL> (2,811)
http://www.selleckchem.com/products/agk2.html

>  <CAS Number> (2,811)
304896-28-4

$$$$
Anacardic Acid.cdx
csChFnd80/10101813032D

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6114    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,812)
2812

>  <Formula> (2,812)
C22H36O3

>  <MolWeight> (2,812)
348.51944

>  <Item Name> (2,812)
Anacardic Acid

>  <Catalog Number> (2,812)
S7582

>  <Synonyms> (2,812)
6-pentadecylsalicylic Acid

>  <Target> (2,812)
Histone Acetyltransferase

>  <Form> (2,812)
Free Base

>  <URL> (2,812)
http://www.selleckchem.com/products/anacardic-acid.html

>  <CAS Number> (2,812)
16611-84-0

$$$$
Abscisic acid.cdx
csChFnd80/10101813032D

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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,813)
2813

>  <Formula> (2,813)
C15H20O4

>  <MolWeight> (2,813)
264.3169

>  <Item Name> (2,813)
Abscisic Acid (Dormin)

>  <Catalog Number> (2,813)
S7594

>  <Synonyms> (2,813)
Abscisin II

>  <Target> (2,813)
Others

>  <Form> (2,813)
Free Base

>  <URL> (2,813)
http://www.selleckchem.com/products/abscisic-acid-dormin.html

>  <CAS Number> (2,813)
21293-29-8

$$$$
GNF5837.cdx
csChFnd80/10101813032D

 39 43  0  0  0  0  0  0  0  0999 V2000
    9.6702    4.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702    3.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Trk receptor

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1033769-28-6

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1421227-53-3

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Calpain inhibitor-1

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Cysteine Protease

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http://www.selleckchem.com/products/mg-101-alln.html

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110044-82-1

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Splitomicin.cdx
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5690-03-9

$$$$
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518303-20-3

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PFI-2.cdx
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>  <URL> (2,821)
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>  <CAS Number> (2,821)
1627676-59-8

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$$$$
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A   16
R
A   42
R
A   84
*
A   85
*
M  END
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>  <Formula> (2,829)
C33H47N3O39R4S6-8

>  <MolWeight> (2,829)
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>  <Item Name> (2,829)
Heparin sodium

>  <Catalog Number> (2,829)
S1346

>  <Synonyms> (2,829)
N/A

>  <Target> (2,829)
Others

>  <Form> (2,829)
Sodium salt

>  <URL> (2,829)
http://www.selleckchem.com/products/Heparin-sodium.html

>  <CAS Number> (2,829)
9041-08-1

$$$$
Nedaplatin.cdx
csChFnd80/10101813032D
CFW_RXN
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A    7
;H3N
A    8
;H3N
M  END
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>  <Formula> (2,830)
R + C2H2O3Pt  -> R  [+ C2H2O3Pt]

>  <MolWeight> (2,830)
269.11348

>  <Item Name> (2,830)
Nedaplatin

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S1826

>  <Synonyms> (2,830)
N/A

>  <Target> (2,830)
DNA/RNA Synthesis

>  <Form> (2,830)
Free Base

>  <URL> (2,830)
http://www.selleckchem.com/products/nedaplatin-aqupla.html

>  <CAS Number> (2,830)
95734-82-0

$$$$
Clopidol.cdx
csChFnd80/10101813032D

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>  <Formula> (2,831)
C7H7Cl2NO

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Clopidol

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S4142

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N/A

>  <Target> (2,831)
Antifection

>  <Form> (2,831)
Free Base

>  <URL> (2,831)
http://www.selleckchem.com/products/clopidol.html

>  <CAS Number> (2,831)
2971-90-6

$$$$
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csChFnd80/10101813032D

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2832

>  <Formula> (2,832)
C17H22N8O

>  <MolWeight> (2,832)
354.40958

>  <Item Name> (2,832)
VS-5584 (SB2343)

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S7016

>  <Synonyms> (2,832)
N/A

>  <Target> (2,832)
PI3K

>  <Form> (2,832)
Free Base

>  <URL> (2,832)
http://www.selleckchem.com/products/vs-5584-sb2343.html

>  <CAS Number> (2,832)
1246560-33-7

$$$$
GF 109203X(G 6850).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,833)
2833

>  <Formula> (2,833)
C25H24N4O2

>  <MolWeight> (2,833)
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>  <Item Name> (2,833)
Bisindolylmaleimide I (GF109203X)

>  <Catalog Number> (2,833)
S7208

>  <Synonyms> (2,833)
GO 6850

>  <Target> (2,833)
PKC

>  <Form> (2,833)
Free Base

>  <URL> (2,833)
http://www.selleckchem.com/products/gf109203x.html

>  <CAS Number> (2,833)
133052-90-1

$$$$
Ro5203280.cdx
csChFnd80/10101813032D

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344458-15-7

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196309-76-9

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JNK Inhibitor IX.cdx
csChFnd80/10101813032D

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JNK inhibitor IX

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TCS JNK 5a

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JNK

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http://www.selleckchem.com/products/jnk-inhibitor-ix.html

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312917-14-9

$$$$
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675576-97-3

$$$$
Blasticidin S hydrochloride.cdx
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>  <Mol_ID> (2,839)
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C17H27ClN8O5

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Blasticidin S HCl

>  <Catalog Number> (2,839)
S7419

>  <Synonyms> (2,839)
Blasticidine S HCl

>  <Target> (2,839)
DNA/RNA Synthesis

>  <Form> (2,839)
hydrochloride salt

>  <URL> (2,839)
http://www.selleckchem.com/products/blasticidin-s-hcl.html

>  <CAS Number> (2,839)
3513-03-9

$$$$
WS3.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,840)
2840

>  <Formula> (2,840)
C28H30F3N7O3

>  <MolWeight> (2,840)
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>  <Item Name> (2,840)
WS3

>  <Catalog Number> (2,840)
S7441

>  <Synonyms> (2,840)
N/A

>  <Target> (2,840)
I¦ÊB/IKK

>  <Form> (2,840)
Free Base

>  <URL> (2,840)
http://www.selleckchem.com/products/ws3.html

>  <CAS Number> (2,840)
1421227-52-2

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,841)
2841

>  <Formula> (2,841)
C20H28ClN7O3S

>  <MolWeight> (2,841)
481.99942

>  <Item Name> (2,841)
Cerdulatinib (PRT062070, PRT2070)

>  <Catalog Number> (2,841)
S7634

>  <Synonyms> (2,841)
N/A

>  <Target> (2,841)
JAK

>  <Form> (2,841)
Hydrochloride

>  <URL> (2,841)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

>  <CAS Number> (2,841)
1369761-01-2

$$$$
CID755673.cdx
csChFnd80/10101813032D

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>  <MolWeight> (2,842)
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>  <Synonyms> (2,842)
N/A

>  <Target> (2,842)
Others

>  <Form> (2,842)
Free Base

>  <URL> (2,842)
http://www.selleckchem.com/products/cid755673.html

>  <CAS Number> (2,842)
521937-07-5

$$$$
Obeticholic acid.cdx
csChFnd80/10101813032D

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Obeticholic Acid

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INT-747, 6-ECDCA

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FXR

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Free Base

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459789-99-2

$$$$
RG7388.cdx
csChFnd80/10101813032D

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Idasanutlin (RG-7388)

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N/A

>  <Target> (2,844)
Mdm2

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Free Base

>  <URL> (2,844)
http://www.selleckchem.com/products/idasanutlin-rg-7388.html

>  <CAS Number> (2,844)
1229705-06-9

$$$$
Hydroxychloroquine sulfate.cdx
csChFnd80/10101813032D

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>  <Formula> (2,845)
C18H28ClN3O5S

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Hydroxychloroquine Sulfate

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S4430

>  <Synonyms> (2,845)
N/A

>  <Target> (2,845)
Autophagy

>  <Form> (2,845)
Sulfate

>  <URL> (2,845)
http://www.selleckchem.com/products/hydroxychloroquine-sulfate.html

>  <CAS Number> (2,845)
747-36-4

$$$$
SB225002.cdx
csChFnd80/10101813032D

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>  <Formula> (2,846)
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CXCR

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>  <URL> (2,846)
http://www.selleckchem.com/products/sb225002.html

>  <CAS Number> (2,846)
182498-32-4

$$$$
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M  END
>  <Mol_ID> (2,847)
2847

>  <Formula> (2,847)
C18H25N5S2

>  <MolWeight> (2,847)
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>  <Item Name> (2,847)
MI-2 (Menin-MLL inhibitor)

>  <Catalog Number> (2,847)
S7618

>  <Synonyms> (2,847)
N/A

>  <Target> (2,847)
Histone Methyltransferase

>  <Form> (2,847)
Free Base

>  <URL> (2,847)
http://www.selleckchem.com/products/mi-2-menin-mll-inhibitor.html

>  <CAS Number> (2,847)
1271738-62-5

$$$$
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M  END
>  <Mol_ID> (2,848)
2848

>  <Formula> (2,848)
C48H58N6Na3O8R+3

>  <MolWeight> (2,848)
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>  <Item Name> (2,848)
LCZ696

>  <Catalog Number> (2,848)
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>  <Synonyms> (2,848)
N/A

>  <Target> (2,848)
RAAS

>  <Form> (2,848)
Sodium salt hydrate

>  <URL> (2,848)
http://www.selleckchem.com/products/lcz696.html

>  <CAS Number> (2,848)
936623-90-4

$$$$
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csChFnd80/10101813032D

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N/A

>  <Target> (2,849)
ALK

>  <Form> (2,849)
Free Base

>  <URL> (2,849)
http://www.selleckchem.com/products/pf-06463922.html

>  <CAS Number> (2,849)
1454846-35-5

$$$$
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no

$$$$
Ledipasvir (GS5885) .cdx
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$$$$
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Lomitapide Mesylate

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S7633

>  <Synonyms> (2,856)
N/A

>  <Target> (2,856)
Others

>  <Form> (2,856)
Mesylate

>  <URL> (2,856)
http://www.selleckchem.com/products/lomitapide-mesylate.html

>  <CAS Number> (2,856)
202914-84-9

$$$$
Isepamicin sulfate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,857)
2857

>  <Formula> (2,857)
C22H45N5O16S

>  <MolWeight> (2,857)
667.6816

>  <Item Name> (2,857)
Isepamicin Sulphate

>  <Catalog Number> (2,857)
S4271

>  <Synonyms> (2,857)
Isepamicine (Isepamycin, sch21420) Sulphate

>  <Target> (2,857)
Antifection

>  <Form> (2,857)
Sulphate

>  <URL> (2,857)
http://www.selleckchem.com/products/isepamicin-sulphate.html

>  <CAS Number> (2,857)
67814-76-0

$$$$
EI1.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,858)
2858

>  <Formula> (2,858)
C23H26N4O2

>  <MolWeight> (2,858)
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>  <Item Name> (2,858)
EI1

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S7611

>  <Synonyms> (2,858)
N/A

>  <Target> (2,858)
Histone Methyltransferase

>  <Form> (2,858)
Free Base

>  <URL> (2,858)
http://www.selleckchem.com/products/ei1.html

>  <CAS Number> (2,858)
1418308-27-6

$$$$
ML141.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,859)
2859

>  <Formula> (2,859)
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>  <Synonyms> (2,859)
CID-2950007

>  <Target> (2,859)
Rho

>  <Form> (2,859)
Free Base

>  <URL> (2,859)
http://www.selleckchem.com/products/ml141.html

>  <CAS Number> (2,859)
71203-35-5

$$$$
BRD4770.cdx
csChFnd80/10101813032D

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BRD4770

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S7591

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N/A

>  <Target> (2,860)
Histone Methyltransferase

>  <Form> (2,860)
Free Base

>  <URL> (2,860)
http://www.selleckchem.com/products/brd4770.html

>  <CAS Number> (2,860)
1374601-40-7

$$$$
PX-478 2HCl.cdx
csChFnd80/10101813032D

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C13H20Cl4N2O3

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PX-478 2HCl

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S7612

>  <Synonyms> (2,861)
N/A

>  <Target> (2,861)
HIF

>  <Form> (2,861)
Dihydrochlorid

>  <URL> (2,861)
http://www.selleckchem.com/products/px-478-2hcl.html

>  <CAS Number> (2,861)
685898-44-6

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/10101813032D

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S7668

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AXL1717

>  <Target> (2,862)
IGF-1R

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Free Base

>  <URL> (2,862)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

>  <CAS Number> (2,862)
477-47-4

$$$$
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csChFnd80/10101813032D

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DNA/RNA Synthesis

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Free Base

>  <URL> (2,863)
http://www.selleckchem.com/products/yk-4-279.html

>  <CAS Number> (2,863)
1037184-44-3

$$$$
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http://www.selleckchem.com/products/pf-431396.html

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http://www.selleckchem.com/products/bmh-21.html

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896705-16-1

$$$$
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http://www.selleckchem.com/products/pnd-1186-vs-4718.html

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1061353-68-1

$$$$
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$$$$
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N/A

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NADPH oxidase

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Free Base

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http://www.selleckchem.com/products/gkt137831.html

>  <CAS Number> (2,890)
1218942-37-0

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/10101813032D

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>  <Formula> (2,891)
C24H28Cl2N2O4

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SBE 13 HCl

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S7720

>  <Synonyms> (2,891)
N/A

>  <Target> (2,891)
PLK

>  <Form> (2,891)
Hydrochloride

>  <URL> (2,891)
http://www.selleckchem.com/products/sbe-13-hcl.html

>  <CAS Number> (2,891)
1052532-15-6

$$$$
Bikinin.cdx
csChFnd80/10101813032D

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>  <Formula> (2,892)
C9H9BrN2O3

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Bikinin

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N/A

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GSK-3

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Free Base

>  <URL> (2,892)
http://www.selleckchem.com/products/bikinin.html

>  <CAS Number> (2,892)
188011-69-0

$$$$
Salirasib.cdx
csChFnd80/10101813032D

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N/A

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Rho

>  <Form> (2,893)
Free Base

>  <URL> (2,893)
http://www.selleckchem.com/products/salirasib.html

>  <CAS Number> (2,893)
162520-00-5

$$$$
SD208.cdx
csChFnd80/10101813032D

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301326-22-7

$$$$
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Histone Demethylase

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http://www.selleckchem.com/products/gsk-lsd1-2hcl.html

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1431368-48-7

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>  <Mol_ID> (2,915)
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C43H59NO17

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>  <Item Name> (2,915)
Docetaxel Trihydrate

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S7787

>  <Synonyms> (2,915)
RP56976 (NSC 628503) Trihydrate

>  <Target> (2,915)
Microtubule Associated

>  <Form> (2,915)
Trihydrate

>  <URL> (2,915)
http://www.selleckchem.com/products/docetaxel-trihydrate.html

>  <CAS Number> (2,915)
148408-66-6

$$$$
Pemetrexed disodium hydrate.cdx
csChFnd80/10101813032D

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>  <Item Name> (2,916)
Pemetrexed Disodium Hydrate

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S7785

>  <Synonyms> (2,916)
LY-231514 Disodium Hydrate

>  <Target> (2,916)
DHFR

>  <Form> (2,916)
Disodium Hydrate

>  <URL> (2,916)
http://www.selleckchem.com/products/pemetrexed-disodium-hydrate.html

>  <CAS Number> (2,916)
357166-30-4

$$$$
EPZ015666.cdx
csChFnd80/10101813032D

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EPZ015666

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>  <Synonyms> (2,917)
N/A

>  <Target> (2,917)
Histone Methyltransferase

>  <Form> (2,917)
Free Base

>  <URL> (2,917)
http://www.selleckchem.com/products/epz015666.html

>  <CAS Number> (2,917)
1616391-65-1

$$$$
ANA-12.cdx
csChFnd80/10101813032D

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S7745

>  <Synonyms> (2,918)
N/A

>  <Target> (2,918)
Trk receptor

>  <Form> (2,918)
Free Base

>  <URL> (2,918)
http://www.selleckchem.com/products/ana-12.html

>  <CAS Number> (2,918)
219766-25-3

$$$$
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csChFnd80/10101813032D

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Dasatinib Monohydrate

>  <Catalog Number> (2,919)
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BMS-354825 Monohydrate

>  <Target> (2,919)
Src

>  <Form> (2,919)
Monohydrate

>  <URL> (2,919)
http://www.selleckchem.com/products/dasatinib-monohydrate.html

>  <CAS Number> (2,919)
863127-77-9

$$$$
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>  <Formula> (2,920)
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>  <MolWeight> (2,920)
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>  <Item Name> (2,920)
Sunitinib

>  <Catalog Number> (2,920)
S7781

>  <Synonyms> (2,920)
SU11248

>  <Target> (2,920)
PDGFR

>  <Form> (2,920)
Free Base

>  <URL> (2,920)
http://www.selleckchem.com/products/sunitinib.html

>  <CAS Number> (2,920)
557795-19-4

$$$$
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csChFnd80/10101813032D

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N/A

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>  <URL> (2,921)
http://www.selleckchem.com/products/elacridar-gf120918.html

>  <CAS Number> (2,921)
143664-11-3

$$$$
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M  END
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C22H23N3O4

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393.43572

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Erlotinib

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CP358774, NSC 718781

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EGFR

>  <Form> (2,922)
Free Base

>  <URL> (2,922)
http://www.selleckchem.com/products/erlotinib.html

>  <CAS Number> (2,922)
183321-74-6

$$$$
LB-100.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,923)
2923

>  <Formula> (2,923)
C13H20N2O4

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268.3089

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LB-100

>  <Catalog Number> (2,923)
S7537

>  <Synonyms> (2,923)
N/A

>  <Target> (2,923)
phosphatase

>  <Form> (2,923)
Free Base

>  <URL> (2,923)
http://www.selleckchem.com/products/lb-100.html

>  <CAS Number> (2,923)
1026680-07-8

$$$$
CL-387785.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,924)
2924

>  <Formula> (2,924)
C18H13BrN4O

>  <MolWeight> (2,924)
381.22602

>  <Item Name> (2,924)
CL-387785 (EKI-785)

>  <Catalog Number> (2,924)
S7557

>  <Synonyms> (2,924)
N/A

>  <Target> (2,924)
EGFR

>  <Form> (2,924)
Free Base

>  <URL> (2,924)
http://www.selleckchem.com/products/cl-387785-eki-785.html

>  <CAS Number> (2,924)
194423-06-8

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,925)
2925

>  <Formula> (2,925)
C24H30ClN7O2

>  <MolWeight> (2,925)
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>  <Item Name> (2,925)
PD 0332991 (Palbociclib) HCl

>  <Catalog Number> (2,925)
S1116

>  <Synonyms> (2,925)
N/A

>  <Target> (2,925)
CDK

>  <Form> (2,925)
Hydrochloride

>  <URL> (2,925)
http://www.selleckchem.com/products/PD-0332991.html

>  <CAS Number> (2,925)
827022-32-2, 571190-30-2 (free base)

$$$$
PF-00080665.cdx
csChFnd80/10101813032D

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csChFnd80/10101813032D

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117048-59-6

$$$$
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Ro-3306.cdx
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BRD73954.cdx
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I¦ÊB/IKK

>  <Form> (2,938)
Trihydrochloride

>  <URL> (2,938)
http://www.selleckchem.com/products/ly2409881.html

>  <CAS Number> (2,938)
946518-60-1

$$$$
BV-6.cdx
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M  END
>  <Mol_ID> (2,944)
2944

>  <Formula> (2,944)
C33H33N3O15

>  <MolWeight> (2,944)
711.62622

>  <Item Name> (2,944)
BRD7552

>  <Catalog Number> (2,944)
S7363

>  <Synonyms> (2,944)
N/A

>  <Target> (2,944)
Others

>  <Form> (2,944)
Free Base

>  <URL> (2,944)
http://www.selleckchem.com/products/brd7552.html

>  <CAS Number> (2,944)
1137359-47-7

$$$$
Purvalanol A.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,945)
2945

>  <Formula> (2,945)
C19H25ClN6O

>  <MolWeight> (2,945)
388.8944

>  <Item Name> (2,945)
Purvalanol A

>  <Catalog Number> (2,945)
S7793

>  <Synonyms> (2,945)
N/A

>  <Target> (2,945)
CDK

>  <Form> (2,945)
Free Base

>  <URL> (2,945)
http://www.selleckchem.com/products/purvalanol-a.html

>  <CAS Number> (2,945)
212844-53-6

$$$$
AZD2932.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,946)
2946

>  <Formula> (2,946)
C24H25N5O4

>  <MolWeight> (2,946)
447.4864

>  <Item Name> (2,946)
AZD2932

>  <Catalog Number> (2,946)
S7003

>  <Synonyms> (2,946)
N/A

>  <Target> (2,946)
PDGFR

>  <Form> (2,946)
Free Base

>  <URL> (2,946)
http://www.selleckchem.com/products/azd2932.html

>  <CAS Number> (2,946)
883986-34-3

$$$$
NU1025.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,947)
2947

>  <Formula> (2,947)
C9H8N2O2

>  <MolWeight> (2,947)
176.17202

>  <Item Name> (2,947)
NU1025

>  <Catalog Number> (2,947)
S7730

>  <Synonyms> (2,947)
NSC 696807

>  <Target> (2,947)
PARP

>  <Form> (2,947)
Free Base

>  <URL> (2,947)
http://www.selleckchem.com/products/nu1025.html

>  <CAS Number> (2,947)
90417-38-2

$$$$
Marimastat (BB-25.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,948)
2948

>  <Formula> (2,948)
C15H29N3O5

>  <MolWeight> (2,948)
331.40786

>  <Item Name> (2,948)
Marimastat (BB-2516)

>  <Catalog Number> (2,948)
S7156

>  <Synonyms> (2,948)
N/A

>  <Target> (2,948)
MMP

>  <Form> (2,948)
Free Base

>  <URL> (2,948)
http://www.selleckchem.com/products/marimastat.html

>  <CAS Number> (2,948)
154039-60-8

$$$$
Anisomycin.cdx
csChFnd80/10101813032D

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218924-25-5

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>  <Target> (2,957)
PI3K

>  <Form> (2,957)
Free Base

>  <URL> (2,957)
http://www.selleckchem.com/products/pilaralisib-xl147.html

>  <CAS Number> (2,957)
934526-89-3

$$$$
s4030.cdx
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M  END
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>  <Formula> (2,958)
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Gentamicin Sulfate

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>  <Synonyms> (2,958)
NSC-82261, SCH9724

>  <Target> (2,958)
Antifection

>  <Form> (2,958)
Sulfate

>  <URL> (2,958)
http://www.selleckchem.com/products/gentamicin-sulfate.html

>  <CAS Number> (2,958)
1405-41-0

$$$$
AT7519 HCl.cdx
csChFnd80/10101813032D

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>  <Formula> (2,959)
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>  <Item Name> (2,959)
AT7519 HCl

>  <Catalog Number> (2,959)
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>  <Synonyms> (2,959)
N/A

>  <Target> (2,959)
CDK

>  <Form> (2,959)
Hydrochloride

>  <URL> (2,959)
http://www.selleckchem.com/products/at7519-hcl.html

>  <CAS Number> (2,959)
902135-91-5

$$$$
VER155008.cdx
csChFnd80/10101813032D

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>  <Formula> (2,960)
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>  <Item Name> (2,960)
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C07

>  <Target> (2,960)
HSP (e.g. HSP90)

>  <Form> (2,960)
Free Base

>  <URL> (2,960)
http://www.selleckchem.com/products/ver155008.html

>  <CAS Number> (2,960)
1134156-31-2

$$$$
ARRY-614.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,961)
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Pexmetinib (ARRY-614)

>  <Catalog Number> (2,961)
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>  <Synonyms> (2,961)
N/A

>  <Target> (2,961)
p38 MAPK

>  <Form> (2,961)
Free Base

>  <URL> (2,961)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

>  <CAS Number> (2,961)
945614-12-0

$$$$
Pyridostatin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,962)
2962

>  <Formula> (2,962)
C33H33F3N8O7

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>  <Item Name> (2,962)
Pyridostatin Trifluoroacetate Salt

>  <Catalog Number> (2,962)
S7444

>  <Synonyms> (2,962)
N/A

>  <Target> (2,962)
DNA/RNA Synthesis

>  <Form> (2,962)
trifluoroacetat

>  <URL> (2,962)
http://www.selleckchem.com/products/pyridostatin-trifluoroacetate-salt.html

>  <CAS Number> (2,962)
1085412-37-8

$$$$
LY3009120.cdx
csChFnd80/10101813032D

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>  <Item Name> (2,963)
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Raf

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>  <URL> (2,963)
http://www.selleckchem.com/products/ly3009120.html

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1454682-72-4

$$$$
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M  END
>  <Mol_ID> (2,968)
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>  <Formula> (2,968)
C21H21F3IN3O2

>  <MolWeight> (2,968)
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>  <Item Name> (2,968)
Cobimetinib (GDC-0973, RG7420)

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S8041

>  <Synonyms> (2,968)
XL518

>  <Target> (2,968)
MEK

>  <Form> (2,968)
Free Base

>  <URL> (2,968)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

>  <CAS Number> (2,968)
934660-93-2

$$$$
BVD-523.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,969)
2969

>  <Formula> (2,969)
C21H22Cl2N4O2

>  <MolWeight> (2,969)
433.33098

>  <Item Name> (2,969)
Ulixertinib (BVD-523, VRT752271)

>  <Catalog Number> (2,969)
S7854

>  <Synonyms> (2,969)
N/A

>  <Target> (2,969)
ERK

>  <Form> (2,969)
Free Base

>  <URL> (2,969)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

>  <CAS Number> (2,969)
869886-67-9

$$$$
Tenofovir alafenamide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,970)
2970

>  <Formula> (2,970)
C21H29N6O5P

>  <MolWeight> (2,970)
476.465921

>  <Item Name> (2,970)
Tenofovir Alafenamide (GS-7340)

>  <Catalog Number> (2,970)
S7856

>  <Synonyms> (2,970)
N/A

>  <Target> (2,970)
Reverse Transcriptase

>  <Form> (2,970)
Free Base

>  <URL> (2,970)
http://www.selleckchem.com/products/tenofovir-alafenamide-gs-7340.html

>  <CAS Number> (2,970)
379270-37-8

$$$$
BPTES.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,971)
2971

>  <Formula> (2,971)
C24H24N6O2S3

>  <MolWeight> (2,971)
524.68136

>  <Item Name> (2,971)
BPTES

>  <Catalog Number> (2,971)
S7753

>  <Synonyms> (2,971)
N/A

>  <Target> (2,971)
Glutaminase

>  <Form> (2,971)
Free Base

>  <URL> (2,971)
http://www.selleckchem.com/products/bptes.html

>  <CAS Number> (2,971)
314045-39-1

$$$$
Dorsomorphin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,972)
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>  <Formula> (2,972)
C24H25N5O

>  <MolWeight> (2,972)
399.4882

>  <Item Name> (2,972)
Dorsomorphin (Compound C)

>  <Catalog Number> (2,972)
S7840

>  <Synonyms> (2,972)
Compound C, BML-275

>  <Target> (2,972)
AMPK

>  <Form> (2,972)
Free Base

>  <URL> (2,972)
http://www.selleckchem.com/products/dorsomorphin.html

>  <CAS Number> (2,972)
866405-64-3

$$$$
Licochalcone A.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (2,973)
2973

>  <Formula> (2,973)
C21H22O4

>  <MolWeight> (2,973)
338.39698

>  <Item Name> (2,973)
Licochalcone A

>  <Catalog Number> (2,973)
S7828

>  <Synonyms> (2,973)
N/A

>  <Target> (2,973)
Estrogen/progestogen Receptor

>  <Form> (2,973)
Free Base

>  <URL> (2,973)
http://www.selleckchem.com/products/licochalcone-a.html

>  <CAS Number> (2,973)
58749-22-7

$$$$
E3330.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,974)
2974

>  <Formula> (2,974)
C21H30O6

>  <MolWeight> (2,974)
378.4593

>  <Item Name> (2,974)
E3330

>  <Catalog Number> (2,974)
S7445

>  <Synonyms> (2,974)
N/A

>  <Target> (2,974)
DNA/RNA Synthesis

>  <Form> (2,974)
Free Base

>  <URL> (2,974)
http://www.selleckchem.com/products/e3330.html

>  <CAS Number> (2,974)
136164-66-4

$$$$
Endoxifen HCl.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,975)
2975

>  <Formula> (2,975)
C25H28ClNO2

>  <MolWeight> (2,975)
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>  <Item Name> (2,975)
Endoxifen HCl

>  <Catalog Number> (2,975)
S7839

>  <Synonyms> (2,975)
N/A

>  <Target> (2,975)
Estrogen/progestogen Receptor

>  <Form> (2,975)
Hydrochloride

>  <URL> (2,975)
http://www.selleckchem.com/products/endoxifen-hcl.html

>  <CAS Number> (2,975)
1032008-74-4

$$$$
CPI-169.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,976)
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LRRK2-IN-1.cdx
csChFnd80/10101813032D

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http://www.selleckchem.com/products/lrrk2-in-1.html

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1234480-84-2

$$$$
LM-3632.cdx
csChFnd80/10101813032D

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ditrifluoroacetic acid

>  <URL> (2,983)
http://www.selleckchem.com/products/cyclo-rgdyk.html

>  <CAS Number> (2,983)
250612-42-1

$$$$
NPS-1034.cdx
csChFnd80/10101813032D

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>  <Item Name> (2,984)
NPS-1034

>  <Catalog Number> (2,984)
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>  <Synonyms> (2,984)
N/A

>  <Target> (2,984)
c-Met

>  <Form> (2,984)
Free Base

>  <URL> (2,984)
http://www.selleckchem.com/products/nps-1034.html

>  <CAS Number> (2,984)
1221713-92-3

$$$$
Dexamethasone sodium phosphate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,985)
2985

>  <Formula> (2,985)
C22H28FNa2O8P

>  <MolWeight> (2,985)
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>  <Item Name> (2,985)
Dexamethasone Sodium Phosphate

>  <Catalog Number> (2,985)
S4028

>  <Synonyms> (2,985)
N/A

>  <Target> (2,985)
IL Receptor

>  <Form> (2,985)
Disodium salt

>  <URL> (2,985)
http://www.selleckchem.com/products/dexamethasone-sodium-phosphate.html

>  <CAS Number> (2,985)
55203-24-2

$$$$
KN-93 H3PO4.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,986)
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>  <Formula> (2,986)
C26H32ClN2O8PS

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>  <Item Name> (2,986)
KN-93 Phosphate

>  <Catalog Number> (2,986)
S7423

>  <Synonyms> (2,986)
N/A

>  <Target> (2,986)
CaMK

>  <Form> (2,986)
Free Base

>  <URL> (2,986)
http://www.selleckchem.com/products/kn-93-phosphate.html

>  <CAS Number> (2,986)
1188890-41-6

$$$$
S2597-Oseltamivir phosphate.cdx
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M  END
>  <Mol_ID> (2,987)
2987

>  <Formula> (2,987)
C16H31N2O8P

>  <MolWeight> (2,987)
410.399701

>  <Item Name> (2,987)
Oseltamivir Phosphate

>  <Catalog Number> (2,987)
S2597

>  <Synonyms> (2,987)
N/A

>  <Target> (2,987)
Antifection

>  <Form> (2,987)
Phosphate salt

>  <URL> (2,987)
http://www.selleckchem.com/products/oseltamivir-phosphate-Tamiflu.html

>  <CAS Number> (2,987)
204255-11-8

$$$$
S4117.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,988)
2988

>  <Formula> (2,988)
C5H15N3O8P2

>  <MolWeight> (2,988)
307.135422

>  <Item Name> (2,988)
Histamine Phosphate

>  <Catalog Number> (2,988)
S4117

>  <Synonyms> (2,988)
N/A

>  <Target> (2,988)
Histamine Receptor

>  <Form> (2,988)
Free Base

>  <URL> (2,988)
http://www.selleckchem.com/products/histamine-phosphate.html

>  <CAS Number> (2,988)
51-74-1

$$$$
Dyngo-4a.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,989)
2989

>  <Formula> (2,989)
C18H14N2O5

>  <MolWeight> (2,989)
338.31416

>  <Item Name> (2,989)
Dyngo-4a

>  <Catalog Number> (2,989)
S7163

>  <Synonyms> (2,989)
N/A

>  <Target> (2,989)
Dynamin

>  <Form> (2,989)
Free Base

>  <URL> (2,989)
http://www.selleckchem.com/products/dyngo-4a.html

>  <CAS Number> (2,989)
1256493-34-1

$$$$
AMI-1.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,990)
2990

>  <Formula> (2,990)
C21H14N2Na2O9S2

>  <MolWeight> (2,990)
548.4534

>  <Item Name> (2,990)
AMI-1

>  <Catalog Number> (2,990)
S7884

>  <Synonyms> (2,990)
N/A

>  <Target> (2,990)
Histone Methyltransferase

>  <Form> (2,990)
disodium salt

>  <URL> (2,990)
http://www.selleckchem.com/products/ami-1.html

>  <CAS Number> (2,990)
20324-87-2

$$$$
GDC0623.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,991)
2991

>  <Formula> (2,991)
C16H14FIN4O3

>  <MolWeight> (2,991)
456.2102332

>  <Item Name> (2,991)
GDC-0623

>  <Catalog Number> (2,991)
S7553

>  <Synonyms> (2,991)
G-868

>  <Target> (2,991)
MEK

>  <Form> (2,991)
Free Base

>  <URL> (2,991)
http://www.selleckchem.com/products/gdc-0623.html

>  <CAS Number> (2,991)
1168091-68-6

$$$$
G007-LK.cdx
csChFnd80/10101813032D

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C24H25F2N3O4

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AZD8186

>  <Catalog Number> (2,995)
S7694

>  <Synonyms> (2,995)
N/A

>  <Target> (2,995)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (2,995)
Free Base

>  <URL> (2,995)
http://www.selleckchem.com/products/azd8186.html

>  <CAS Number> (2,995)
1627494-13-6

$$$$
Dibutyryl-cAMP.cdx
csChFnd80/10101813032D

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M  END
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2996

>  <Formula> (2,996)
C18H23N5NaO8P

>  <MolWeight> (2,996)
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>  <Item Name> (2,996)
Dibutyryl-cAMP (Bucladesine)

>  <Catalog Number> (2,996)
S7858

>  <Synonyms> (2,996)
dbcAMP

>  <Target> (2,996)
PKA

>  <Form> (2,996)
sodium salt

>  <URL> (2,996)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

>  <CAS Number> (2,996)
16980-89-5

$$$$
UM171.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,997)
2997

>  <Formula> (2,997)
C25H27N9

>  <MolWeight> (2,997)
453.54218

>  <Item Name> (2,997)
UM171

>  <Catalog Number> (2,997)
S7608

>  <Synonyms> (2,997)
N/A

>  <Target> (2,997)
Others

>  <Form> (2,997)
Free Base

>  <URL> (2,997)
http://www.selleckchem.com/products/um171.html

>  <CAS Number> (2,997)
1448724-09-1

$$$$
Pyrilamine Maleate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (2,998)
2998

>  <Formula> (2,998)
C21H27N3O5

>  <MolWeight> (2,998)
401.45618

>  <Item Name> (2,998)
Pyrilamine maleate

>  <Catalog Number> (2,998)
S4382 

>  <Synonyms> (2,998)
Mepyramine Maleate

>  <Target> (2,998)
Others

>  <Form> (2,998)
maleate

>  <URL> (2,998)
http://www.selleckchem.com/products/pyrila

>  <CAS Number> (2,998)
59-33-6

$$$$
RTA 408.cdx
csChFnd80/10101813032D

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Omaveloxolone (RTA-408)

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N/A

>  <Target> (2,999)
NF-¦ÊB

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Free Base

>  <URL> (2,999)
http://www.selleckchem.com/products/omaveloxolone-rta-408.html

>  <CAS Number> (2,999)
1474034-05-3

$$$$
8-Bromo-cAMP.cdx
csChFnd80/10101813032D

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M  CFW  17 BOND_GSTEREO 5
M  END
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>  <Formula> (3,000)
C10H10BrN5NaO6P

>  <MolWeight> (3,000)
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>  <Item Name> (3,000)
8-Bromo-cAMP

>  <Catalog Number> (3,000)
S7857

>  <Synonyms> (3,000)
N/A

>  <Target> (3,000)
PKA

>  <Form> (3,000)
sodium salt

>  <URL> (3,000)
http://www.selleckchem.com/products/8-bromo-camp.html

>  <CAS Number> (3,000)
76939-46-3

$$$$
Epacadostat (INCB024360).cdx
csChFnd80/10101813032D

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M  END
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3001

>  <Formula> (3,001)
C11H13BrFN7O4S

>  <MolWeight> (3,001)
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>  <Item Name> (3,001)
Epacadostat (INCB024360)

>  <Catalog Number> (3,001)
S7910

>  <Synonyms> (3,001)
N/A

>  <Target> (3,001)
IDO

>  <Form> (3,001)
Free Base

>  <URL> (3,001)
http://www.selleckchem.com/products/epacadostat-incb024360.html

>  <CAS Number> (3,001)
1204669-58-8

$$$$
BLU9931.cdx
csChFnd80/10101813032D

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>  <Formula> (3,002)
C26H22Cl2N4O3

>  <MolWeight> (3,002)
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>  <Item Name> (3,002)
BLU9931

>  <Catalog Number> (3,002)
S7819

>  <Synonyms> (3,002)
N/A

>  <Target> (3,002)
FGFR

>  <Form> (3,002)
Free Base

>  <URL> (3,002)
http://www.selleckchem.com/products/blu9931.html

>  <CAS Number> (3,002)
1538604-68-0

$$$$
Smoothened agonist (SAG) HCl.cdx
csChFnd80/10101813032D

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Histone Methyltransferase

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Nrf2

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FLLL32.cdx
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JAK

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1226895-15-3

$$$$
Bromodeoxyuridine.cdx
csChFnd80/10101813032D

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DNA/RNA Synthesis

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http://www.selleckchem.com/products/bromodeoxyuridine-brdu.html

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59-14-3

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/10101813032D

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103404-90-6

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sodium salt

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PI3K

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Histone Methyltransferase

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BTK

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http://www.selleckchem.com/products/ono-4059.html

>  <CAS Number> (3,015)
1351635-67-0

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/10101813032D

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N/A

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Free Base

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http://www.selleckchem.com/products/isoxazole-9-isx-9.html

>  <CAS Number> (3,016)
832115-62-5

$$$$
Oleuropein.cdx
csChFnd80/10101813032D

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N/A

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ROS

>  <Form> (3,017)
Free Base

>  <URL> (3,017)
http://www.selleckchem.com/products/oleuropein.html

>  <CAS Number> (3,017)
32619-42-4

$$$$
MMAE.cdx
csChFnd80/10101813032D

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3018

>  <Formula> (3,018)
C39H67N5O7

>  <MolWeight> (3,018)
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>  <Item Name> (3,018)
Monomethyl auristatin E (MMAE)

>  <Catalog Number> (3,018)
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>  <Synonyms> (3,018)
N/A

>  <Target> (3,018)
Microtubule Associated

>  <Form> (3,018)
Free Base

>  <URL> (3,018)
http://www.selleckchem.com/products/monomethyl-auristatin-e-mmae.html

>  <CAS Number> (3,018)
474645-27-7

$$$$
Dp44mT.cdx
csChFnd80/10101813032D

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csChFnd80/10101813032D

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http://www.selleckchem.com/products/vidofludimus.html

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717824-30-1

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csChFnd80/10101813032D

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http://www.selleckchem.com/products/pf-03084014-pf-3084014.html

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1290543-63-3

$$$$
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csChFnd80/10101813032D

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1675203-84-5

$$$$
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$$$$
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1108743-60-7

$$$$
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$$$$
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FGFR

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1633044-56-0

$$$$
Coelenterazine.cdx
csChFnd80/10101813032D

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http://www.selleckchem.com/products/coelenterazine.html

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55779-48-1

$$$$
Vorapaxar (SCH 530348).cdx
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>  <Formula> (3,064)
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Vorapaxar (SCH 530348)

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SCH 530348, MK-5348

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Protease-activated Receptor

>  <Form> (3,064)
Free Base

>  <URL> (3,064)
http://www.selleckchem.com/products/vorapaxar.html

>  <CAS Number> (3,064)
618385-01-6

$$$$
SKF38393.cdx
csChFnd80/10101813032D

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SKF38393 HCl

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Dopamine Receptor

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>  <URL> (3,065)
http://www.selleckchem.com/products/skf38393-hcl.html

>  <CAS Number> (3,065)
62717-42-4

$$$$
ORY-1001.cdx
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C15H24Cl2N2

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ORY-1001 (RG-6016) 2HCl

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N/A

>  <Target> (3,066)
Histone Demethylase

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Dihydrochloride

>  <URL> (3,066)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

>  <CAS Number> (3,066)
1431326-61-2

$$$$
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GMX1778 (CHS828)

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N/A

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NAMPT

>  <Form> (3,067)
Free Base

>  <URL> (3,067)
http://www.selleckchem.com/products/gmx1778-chs828.html

>  <CAS Number> (3,067)
200484-11-3

$$$$
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N/A

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TLR

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>  <URL> (3,068)
http://www.selleckchem.com/products/motolimod-vtx-2337.html

>  <CAS Number> (3,068)
926927-61-9

$$$$
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>  <URL> (3,069)
http://www.selleckchem.com/products/o4i1.html

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175135-47-4

$$$$
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csChFnd80/10101813032D

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csChFnd80/10101813032D

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C20H19FN8O2

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Riociguat (BAY 63-2521)

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N/A

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Free Base

>  <URL> (3,079)
http://www.selleckchem.com/products/riociguat-bay-63-2521.html

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625115-55-1

$$$$
AZD3759.cdx
csChFnd80/10101813032D

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1626387-80-1

$$$$
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csChFnd80/10101813032D

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144875-48-9

$$$$
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934493-76-2

$$$$
Mitomycin C.cdx
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http://www.selleckchem.com/products/mitomycin-c.html

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50-07-7

$$$$
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431898-65-6

$$$$
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223387-75-5

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$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/10101813032D

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887375-67-9

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>  <Mol_ID> (3,096)
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>  <Formula> (3,096)
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>  <MolWeight> (3,096)
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NSC59984

>  <Catalog Number> (3,096)
S8106

>  <Synonyms> (3,096)
N/A

>  <Target> (3,096)
p53

>  <Form> (3,096)
Free Base

>  <URL> (3,096)
http://www.selleckchem.com/products/nsc59984.html

>  <CAS Number> (3,096)
803647-40-7

$$$$
Cucurbitacin B.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,097)
3097

>  <Formula> (3,097)
C32H46O8

>  <MolWeight> (3,097)
558.70284

>  <Item Name> (3,097)
Cucurbitacin B

>  <Catalog Number> (3,097)
S8165

>  <Synonyms> (3,097)
N/A

>  <Target> (3,097)
Microtubule Associated

>  <Form> (3,097)
Free Base

>  <URL> (3,097)
http://www.selleckchem.com/products/cucurbitacin-b.html

>  <CAS Number> (3,097)
6199-67-3

$$$$
Z-VAD(OH)-FMK (Caspase Inhibitor VI).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,098)
3098

>  <Formula> (3,098)
C21H28FN3O7

>  <MolWeight> (3,098)
453.4613232

>  <Item Name> (3,098)
Z-VAD(OH)-FMK

>  <Catalog Number> (3,098)
S8102

>  <Synonyms> (3,098)
N/A

>  <Target> (3,098)
Caspase

>  <Form> (3,098)
Free Base

>  <URL> (3,098)
http://www.selleckchem.com/products/z-vad(oh)-fmk.html

>  <CAS Number> (3,098)
161401-82-7

$$$$
GlyH-101.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,099)
3099

>  <Formula> (3,099)
C19H15Br2N3O3

>  <MolWeight> (3,099)
493.1487

>  <Item Name> (3,099)
GlyH-101

>  <Catalog Number> (3,099)
S8094

>  <Synonyms> (3,099)
N/A

>  <Target> (3,099)
CFTR

>  <Form> (3,099)
Free Base

>  <URL> (3,099)
http://www.selleckchem.com/products/glyh-101.html

>  <CAS Number> (3,099)
328541-79-3

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/10101813032D

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S7796

>  <Synonyms> (3,104)
N/A

>  <Target> (3,104)
Histone Demethylase

>  <Form> (3,104)
Dihydrochloride

>  <URL> (3,104)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

>  <CAS Number> (3,104)
1401966-69-5

$$$$
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>  <Catalog Number> (3,105)
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>  <Synonyms> (3,105)
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>  <Target> (3,105)
Adenosine Receptor

>  <Form> (3,105)
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>  <URL> (3,105)
http://www.selleckchem.com/products/sch58261.html

>  <CAS Number> (3,105)
160098-96-4

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>  <Item Name> (3,106)
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>  <Catalog Number> (3,106)
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>  <Synonyms> (3,106)
N/A

>  <Target> (3,106)
Caspase

>  <Form> (3,106)
Free Base

>  <URL> (3,106)
http://www.selleckchem.com/products/q-vd-oph.html

>  <CAS Number> (3,106)
1135695-98-5

$$$$
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STAT

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>  <URL> (3,107)
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111540-00-2

$$$$

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>  <Formula> (3,108)
C38H42Cl2F4N6O9

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Sitafloxacin hydrate

>  <Catalog Number> (3,108)
S2152

>  <Synonyms> (3,108)
DU 6859A, DU 6859, DU-6859, LS-184401

>  <Target> (3,108)
Antifection

>  <Form> (3,108)
1.5 hydrate

>  <URL> (3,108)
http://www.selleckchem.com/products/Sitafloxacin(DU-6859A).html

>  <CAS Number> (3,108)
163253-35-8, 163253-37-0 (H2O), 127254-12-0 (free ba

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/10101813032D

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Daprodustat (GSK1278863)

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S8171

>  <Synonyms> (3,109)
N/A

>  <Target> (3,109)
HIF

>  <Form> (3,109)
Free Base

>  <URL> (3,109)
http://www.selleckchem.com/products/daprodustat.html

>  <CAS Number> (3,109)
960539-70-2

$$$$
MS023.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,110)
3110

>  <Formula> (3,110)
C17H25N3O

>  <MolWeight> (3,110)
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>  <Item Name> (3,110)
MS023

>  <Catalog Number> (3,110)
S8112

>  <Synonyms> (3,110)
N/A

>  <Target> (3,110)
Histone Methyltransferase

>  <Form> (3,110)
Free Base

>  <URL> (3,110)
http://www.selleckchem.com/products/ms023.html

>  <CAS Number> (3,110)
1831110-54-3

$$$$
CC-223.cdx
csChFnd80/10101813032D

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>  <Formula> (3,111)
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>  <Item Name> (3,111)
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N/A

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mTOR

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Free Base

>  <URL> (3,111)
http://www.selleckchem.com/products/cc-223.html

>  <CAS Number> (3,111)
1228013-30-6

$$$$
Chaetocin.cdx
csChFnd80/10101813032D

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N/A

>  <Target> (3,112)
Histone Methyltransferase

>  <Form> (3,112)
Free Base

>  <URL> (3,112)
http://www.selleckchem.com/products/chaetocin.html

>  <CAS Number> (3,112)
28097-03-2

$$$$
Vacquinol-1 dihydrochloride.cdx
csChFnd80/10101813032D

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Vacquinol-1

>  <Catalog Number> (3,113)
S7544

>  <Synonyms> (3,113)
NSC13316

>  <Target> (3,113)
JNK

>  <Form> (3,113)
dihydrochloride

>  <URL> (3,113)
http://www.selleckchem.com/products/vacquinol-1.html

>  <CAS Number> (3,113)
5428-80-8£¨free base£©

$$$$
Pimavanserin (ACP-103).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,114)
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>  <Formula> (3,114)
C54H74F2N6O10

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>  <Catalog Number> (3,114)
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>  <Synonyms> (3,114)
ACP-103

>  <Target> (3,114)
5-HT Receptor

>  <Form> (3,114)
Tartrate

>  <URL> (3,114)
http://www.selleckchem.com/products/pimavanserin.html

>  <CAS Number> (3,114)
706782-28-7

$$$$
BEC Hydrochloride.cdx
csChFnd80/10101813032D

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http://www.selleckchem.com/products/azd3965.html

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1448671-31-5

$$$$
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PD-1/PD-L1

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1675201-83-8

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GSK795

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Akt

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Free Base

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http://www.selleckchem.com/products/gsk2141795.html

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1047634-65-0

$$$$
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>  <Synonyms> (3,120)
N/A

>  <Target> (3,120)
Wnt/beta-catenin

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Hydrochloride

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http://www.selleckchem.com/products/wnt-agonist-1.html

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853220-52-7(free-base)

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MCC950.cdx
csChFnd80/10101813032D

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>  <Formula> (3,121)
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MCC950(CP-456773)

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CP-456773

>  <Target> (3,121)
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Free Base

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http://www.selleckchem.com/products/mcc950-sodium-salt.html

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256373-96-3

$$$$
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CDK

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1357470-29-1

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M  END
>  <Mol_ID> (3,132)
3132

>  <Formula> (3,132)
C17H12Cl2F3N7O2S

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MLN2480

>  <Catalog Number> (3,132)
S7121

>  <Synonyms> (3,132)
BIIB-024

>  <Target> (3,132)
Raf

>  <Form> (3,132)
Free Base

>  <URL> (3,132)
http://www.selleckchem.com/products/mln2480.html

>  <CAS Number> (3,132)
1096708-71-2

$$$$
PF-CBP1.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,133)
3133

>  <Formula> (3,133)
C29H37ClN4O3

>  <MolWeight> (3,133)
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>  <Item Name> (3,133)
PF-CBP1 HCL

>  <Catalog Number> (3,133)
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>  <Synonyms> (3,133)
N/A

>  <Target> (3,133)
Epigenetic Reader Domain

>  <Form> (3,133)
Hydrochloride

>  <URL> (3,133)
http://www.selleckchem.com/products/pf-cbp1.html

$$$$
Acalabrutinib.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,134)
3134

>  <Formula> (3,134)
C26H23N7O2

>  <MolWeight> (3,134)
465.50652

>  <Item Name> (3,134)
Acalabrutinib (ACP-196)

>  <Catalog Number> (3,134)
S8116

>  <Synonyms> (3,134)
N/A

>  <Target> (3,134)
BTK

>  <Form> (3,134)
Free Base

>  <URL> (3,134)
http://www.selleckchem.com/products/acalabrutinib.html

>  <CAS Number> (3,134)
1420477-60-6

$$$$
LTX-315.cdx
csChFnd80/10101813032D

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$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/10101813032D

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$$$$
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$$$$
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M  END
>  <Mol_ID> (3,138)
3138

>  <Formula> (3,138)
C21H20F7N3O4S

>  <MolWeight> (3,138)
543.4550224

>  <Item Name> (3,138)
Bitopertin (RG1678,RO-4917838)

>  <Catalog Number> (3,138)
S8219

>  <Synonyms> (3,138)
RG1678, RO-4917838

>  <Target> (3,138)
GlyT

>  <Form> (3,138)
Free Base

>  <URL> (3,138)
http://www.selleckchem.com/products/bitopertin-rg1678-ro-4917838.html

>  <CAS Number> (3,138)
845614-11-1

$$$$
Halofuginone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,139)
3139

>  <Formula> (3,139)
C16H17BrClN3O3

>  <MolWeight> (3,139)
414.68148

>  <Item Name> (3,139)
Halofuginone

>  <Catalog Number> (3,139)
S8144

>  <Synonyms> (3,139)
N/A

>  <Target> (3,139)
Others

>  <Form> (3,139)
Free Base

>  <URL> (3,139)
http://www.selleckchem.com/products/halofuginone.html

>  <CAS Number> (3,139)
55837-20-2

$$$$
AS1842856.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,140)
3140

>  <Formula> (3,140)
C18H22FN3O3

>  <MolWeight> (3,140)
347.3839832

>  <Item Name> (3,140)
AS1842856

>  <Catalog Number> (3,140)
S8222

>  <Synonyms> (3,140)
N/A

>  <Target> (3,140)
Others

>  <Form> (3,140)
Free Base

>  <URL> (3,140)
http://www.selleckchem.com/products/as1842856.html

>  <CAS Number> (3,140)
836620-48-5

$$$$
HLCL-61.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,141)
3141

>  <Formula> (3,141)
C23H25ClN2O

>  <MolWeight> (3,141)
380.9104

>  <Item Name> (3,141)
HLCL-61 hydrochloride

>  <Catalog Number> (3,141)
S8209

>  <Synonyms> (3,141)
HLCL61

>  <Target> (3,141)
Histone Methyltransferase

>  <Form> (3,141)
Hydrochloride

>  <URL> (3,141)
http://www.selleckchem.com/products/hlcl-61-hydrochloride.html

>  <CAS Number> (3,141)
1158279-20-9

$$$$
I-BRD9 (GSK602).cdx
csChFnd80/10101813032D

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1403-36-7

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S1P Receptor

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http://www.selleckchem.com/products/ponesimod-act-128800.html

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854107-55-4

$$$$
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ETC-1002.cdx
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738606-46-7

$$$$
GSK1016790A.cdx
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M  END
>  <Mol_ID> (3,155)
3155

>  <Formula> (3,155)
C28H32Cl2N4O6S2

>  <MolWeight> (3,155)
655.61288

>  <Item Name> (3,155)
GSK1016790A

>  <Catalog Number> (3,155)
S8107

>  <Synonyms> (3,155)
GSK101

>  <Target> (3,155)
TRPV

>  <Form> (3,155)
Free Base

>  <CAS Number> (3,155)
942206-85-1

$$$$
YAP-TEAD Inhibitor 1 (Peptide 17).cdx
csChFnd80/10101813032D

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YAP-TEAD Inhibitor 1 (Peptide 17)

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N/A

>  <Target> (3,156)
Others

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Free Base

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http://www.selleckchem.com/products/yap-tead-inhibitor-1-peptide-17.html

$$$$
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>  <Formula> (3,157)
C27H25F3N8O2

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>  <Item Name> (3,157)
Pluripotin (SC1)

>  <Catalog Number> (3,157)
S7752

>  <Synonyms> (3,157)
N/A

>  <Target> (3,157)
ERK

>  <Form> (3,157)
Free Base

>  <URL> (3,157)
http://www.selleckchem.com/products/pluripotin-sc1.html

>  <CAS Number> (3,157)
839707-37-8

$$$$
AG-221 (Enasidenib).cdx
csChFnd80/10101813032D

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Dehydrogenase

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Free Base

>  <URL> (3,158)
http://www.selleckchem.com/products/ag-221-enasidenib.html

>  <CAS Number> (3,158)
1446502-11-9

$$$$
SB366791.cdx
csChFnd80/10101813032D

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TRPV

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http://www.selleckchem.com/products/sb366791.html

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$$$$
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68392-35-8

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M  END
>  <Mol_ID> (3,163)
3163

>  <Formula> (3,163)
C23H17ClN2

>  <MolWeight> (3,163)
356.84748

>  <Item Name> (3,163)
C-DIM12

>  <Catalog Number> (3,163)
S8097

>  <Synonyms> (3,163)
N/A

>  <Target> (3,163)
Immunology & Inflammation

>  <Form> (3,163)
Free Base

>  <URL> (3,163)
http://www.selleckchem.com/products/c-dim12.html

>  <CAS Number> (3,163)
178946-89-9

$$$$
Dihydrostreptomycin sulfate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,164)
3164

>  <Formula> (3,164)
C42H88N14O36S3

>  <MolWeight> (3,164)
1461.41532

>  <Item Name> (3,164)
Dihydrostreptomycin sulfate

>  <Catalog Number> (3,164)
S4523

>  <Synonyms> (3,164)
N/A

>  <Target> (3,164)
Antifection

>  <Form> (3,164)
1.5Sulfate

>  <URL> (3,164)
http://www.selleckchem.com/products/dihydrostreptomycin-sulfate.html

>  <CAS Number> (3,164)
5490-27-7

$$$$
SCR7.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,165)
3165

>  <Formula> (3,165)
C18H12N4OS

>  <MolWeight> (3,165)
332.37908

>  <Item Name> (3,165)
SCR7

>  <Catalog Number> (3,165)
S7742

>  <Synonyms> (3,165)
N/A

>  <Target> (3,165)
DNA/RNA Synthesis

>  <Form> (3,165)
Free Base

>  <URL> (3,165)
http://www.selleckchem.com/products/scr7.html

>  <CAS Number> (3,165)
14892-97-8

$$$$
MRT68921.cdx
csChFnd80/10101813032D

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A   35
xHCl
M  END
>  <Mol_ID> (3,166)
3166

>  <Formula> (3,166)
C26H36N6O2R

>  <MolWeight> (3,166)
464.60304

>  <Item Name> (3,166)
MRT67307 HCl

>  <Catalog Number> (3,166)
S7948

>  <Synonyms> (3,166)
N/A

>  <Target> (3,166)
I¦ÊB/IKK

>  <Form> (3,166)
hydrochloride

>  <URL> (3,166)
http://www.selleckchem.com/products/mrt67307.html

>  <CAS Number> (3,166)
1190378-57-4 (free-base)

$$$$
MRT67307.cdx
csChFnd80/10101813032D

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A   33
XHCl
M  END
>  <Mol_ID> (3,167)
3167

>  <Formula> (3,167)
C25H34N6OR

>  <MolWeight> (3,167)
434.57706

>  <Item Name> (3,167)
MRT68921 HCl

>  <Catalog Number> (3,167)
S7949

>  <Synonyms> (3,167)
N/A

>  <Target> (3,167)
Autophagy

>  <Form> (3,167)
hydrochloride

>  <URL> (3,167)
http://www.selleckchem.com/products/mrt68921.html

>  <CAS Number> (3,167)
1190379-70-4 (free base)

$$$$
SBI-0640756.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,168)
3168

>  <Formula> (3,168)
C23H14ClFN2O2

>  <MolWeight> (3,168)
404.8208632

>  <Item Name> (3,168)
SBI-0640756

>  <Catalog Number> (3,168)
S8181

>  <Synonyms> (3,168)
N/A

>  <Target> (3,168)
Others

>  <Form> (3,168)
Free Base

>  <URL> (3,168)
http://www.selleckchem.com/products/sbi-0640756.html

>  <CAS Number> (3,168)
N/A

$$$$
DEET.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,169)
3169

>  <Formula> (3,169)
C12H17NO

>  <MolWeight> (3,169)
191.26948

>  <Item Name> (3,169)
DEET

>  <Catalog Number> (3,169)
S4521

>  <Synonyms> (3,169)
N,N-Diethyl-meta-toluamide, diethyltoluamide

>  <Target> (3,169)
Antifection

>  <Form> (3,169)
Free Base

>  <URL> (3,169)
http://www.selleckchem.com/products/deet.html

>  <CAS Number> (3,169)
134-62-3

$$$$
BI-78D3.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,175)
3175

>  <Formula> (3,175)
C223H330N80O51

>  <MolWeight> (3,175)
4947.5117

>  <Item Name> (3,175)
APTSTAT3-9R

>  <Catalog Number> (3,175)
S8197

>  <Synonyms> (3,175)
N/A

>  <Target> (3,175)
STAT

>  <Form> (3,175)
Free Base

>  <URL> (3,175)
http://www.selleckchem.com/products/aptstat3-9r.html

>  <CAS Number> (3,175)
C223H330N80O51

$$$$
ReACp53.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,176)
3176

>  <Formula> (3,176)
C108H206N52O24

>  <MolWeight> (3,176)
2617.12524

>  <Item Name> (3,176)
ReACp53

>  <Catalog Number> (3,176)
S8187

>  <Synonyms> (3,176)
N/A

>  <Target> (3,176)
p53

>  <Form> (3,176)
Free Base

>  <URL> (3,176)
http://www.selleckchem.com/products/reacp53.html

>  <CAS Number> (3,176)
N/A

$$$$
Eprodisate (disodium).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,177)
3177

>  <Formula> (3,177)
C3H6Na2O6S2

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248.18568

>  <Item Name> (3,177)
Eprodisate (disodium)

>  <Catalog Number> (3,177)
S4567

>  <Synonyms> (3,177)
NC-503

>  <Target> (3,177)
Others

>  <Form> (3,177)
disodium salt

>  <URL> (3,177)
http://www.selleckchem.com/products/eprodisate-disodium.html

>  <CAS Number> (3,177)
36589-58-9

$$$$
m-Tolyl acetate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,178)
3178

>  <Formula> (3,178)
C9H10O2

>  <MolWeight> (3,178)
150.1745

>  <Item Name> (3,178)
m-Tolyl acetate

>  <Catalog Number> (3,178)
S4573

>  <Synonyms> (3,178)
3-Methylphenylacetate, m-Cresyl acetate, Acetic acid m-tolyl ester

>  <Target> (3,178)
Others

>  <Form> (3,178)
Free Base

>  <URL> (3,178)
http://www.selleckchem.com/products/m-tolyl-acetate.html

>  <CAS Number> (3,178)
122-46-3

$$$$
IC261.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,183)
3183

>  <Formula> (3,183)
C21H19N3O4

>  <MolWeight> (3,183)
377.39326

>  <Item Name> (3,183)
GSK481

>  <Catalog Number> (3,183)
S8169

>  <Synonyms> (3,183)
N/A

>  <Target> (3,183)
TNF-alpha

>  <Form> (3,183)
Free Base

>  <URL> (3,183)
http://www.selleckchem.com/products/gsk481.html

>  <CAS Number> (3,183)
1622849-58-4

$$$$
A-366.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,184)
3184

>  <Formula> (3,184)
C19H27N3O2

>  <MolWeight> (3,184)
329.43658

>  <Item Name> (3,184)
A-366

>  <Catalog Number> (3,184)
S7572

>  <Synonyms> (3,184)
N/A

>  <Target> (3,184)
Histone Methyltransferase

>  <Form> (3,184)
Free Base

>  <URL> (3,184)
http://www.selleckchem.com/products/a-366.html

>  <CAS Number> (3,184)
1527503-11-2

$$$$
S4549 Antimonyl (potassium tartrate trihydrate).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,185)
3185

>  <Formula> (3,185)
C8H10K2O15Sb2

>  <MolWeight> (3,185)
667.8726

>  <Item Name> (3,185)
Antimonyl (potassium tartrate trihydrate)

>  <Catalog Number> (3,185)
S4549

>  <Synonyms> (3,185)
Tartar emetic

>  <Target> (3,185)
Others

>  <Form> (3,185)
Free Base

>  <URL> (3,185)
http://www.selleckchem.com/products/antimonyl-potassium-tartrate-trihydrate.html

>  <CAS Number> (3,185)
28300-74-5

$$$$
S4520 2-Aminoheptane.cdx
csChFnd80/10101813032D

  8  7  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,186)
3186

>  <Formula> (3,186)
C7H17N

>  <MolWeight> (3,186)
115.21658

>  <Item Name> (3,186)
2-Aminoheptane

>  <Catalog Number> (3,186)
S4520

>  <Synonyms> (3,186)
Tuaminoheptanez, Tuamine, Heptamine, 1-Methylhexylamine, 2-Heptylamine

>  <Target> (3,186)
Others

>  <Form> (3,186)
Free Base

>  <URL> (3,186)
http://www.selleckchem.com/products/2-aminoheptane.html

>  <CAS Number> (3,186)
123-82-0

$$$$
Tyloxapol.cdx
csChFnd80/10101813032D

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151-67-7

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>  <Mol_ID> (3,192)
3192

>  <Formula> (3,192)
C16H15N7O2

>  <MolWeight> (3,192)
337.336

>  <Item Name> (3,192)
ZM241385

>  <Catalog Number> (3,192)
S8105

>  <Synonyms> (3,192)
N/A
N/A

>  <Target> (3,192)
Adenosine Receptor

>  <Form> (3,192)
Free Base

>  <URL> (3,192)
http://www.selleckchem.com/products/zm241385.html

>  <CAS Number> (3,192)
139180-30-6

$$$$
SKF96365.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,193)
3193

>  <Formula> (3,193)
C22H27ClN2O3

>  <MolWeight> (3,193)
402.91438

>  <Item Name> (3,193)
SKF96365

>  <Catalog Number> (3,193)
S7999

>  <Synonyms> (3,193)
N/A

>  <Target> (3,193)
Calcium Channel

>  <Form> (3,193)
Hydrochloride

>  <URL> (3,193)
http://www.selleckchem.com/products/skf96365.html

>  <CAS Number> (3,193)
130495-35-1

$$$$
S4600 Benzyl alcohol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,194)
3194

>  <Formula> (3,194)
C7H8O

>  <MolWeight> (3,194)
108.13782

>  <Item Name> (3,194)
Benzyl alcohol

>  <Catalog Number> (3,194)
S4600

>  <Synonyms> (3,194)
Phenylmethanol, Benzenemethanol, Phenylcarbinol, Benzoyl alcohol

>  <Target> (3,194)
Others

>  <Form> (3,194)
Free Base

>  <URL> (3,194)
http://www.selleckchem.com/products/benzyl-alcohol.html

>  <CAS Number> (3,194)
100-51-6

$$$$
S4599 Benzyl benzoate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,195)
3195

>  <Formula> (3,195)
C14H12O2

>  <MolWeight> (3,195)
212.24388

>  <Item Name> (3,195)
Benzyl benzoate

>  <Catalog Number> (3,195)
S4599

>  <Synonyms> (3,195)
Ascabiol, Novoscabin, Scabitox, Benzoic acid benzyl ester

>  <Target> (3,195)
Others

>  <Form> (3,195)
Free Base

>  <URL> (3,195)
http://www.selleckchem.com/products/benzyl-benzoate.html

>  <CAS Number> (3,195)
120-51-4

$$$$
S4575 Pralidoxime (chloride).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,196)
3196

>  <Formula> (3,196)
C7H9ClN2O

>  <MolWeight> (3,196)
172.61216

>  <Item Name> (3,196)
Pralidoxime (chloride)

>  <Catalog Number> (3,196)
S4575

>  <Synonyms> (3,196)
2-PAM (chloride)

>  <Target> (3,196)
AChR

>  <Form> (3,196)
Free Base

>  <URL> (3,196)
http://www.selleckchem.com/products/pralidoxime-chloride.html

>  <CAS Number> (3,196)
51-15-0

$$$$
Sisomicin sulfate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,197)
3197

>  <Formula> (3,197)
C38H84N10O34S5

>  <MolWeight> (3,197)
1385.44516

>  <Item Name> (3,197)
Sisomicin sulfate

>  <Catalog Number> (3,197)
S4540

>  <Synonyms> (3,197)
N/A

>  <Target> (3,197)
Antifection

>  <Form> (3,197)
2.5Sulfate

>  <URL> (3,197)
http://www.selleckchem.com/products/sisomicin-sulfate.html

>  <CAS Number> (3,197)
53179-09-2

$$$$
NQDI-1.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,198)
3198

>  <Formula> (3,198)
C19H13NO4

>  <MolWeight> (3,198)
319.31082

>  <Item Name> (3,198)
NQDI-1

>  <Catalog Number> (3,198)
S8289

>  <Synonyms> (3,198)
N/A

>  <Target> (3,198)
Caspase

>  <Form> (3,198)
Free Base

>  <URL> (3,198)
http://www.selleckchem.com/products/nqdi-1.html

>  <CAS Number> (3,198)
175026-96-7

$$$$
S4592 SBE-¦Â-CD.cdx
csChFnd80/10101813032D

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A   96
n
M  END
>  <Mol_ID> (3,199)
3199

>  <Formula> (3,199)
C50H82Na2O41RS2

>  <MolWeight> (3,199)
1449.27102

>  <Item Name> (3,199)
Captisol (SBE-¦Â-CD)

>  <Catalog Number> (3,199)
S4592

>  <Synonyms> (3,199)
Sulfobutylether-¦Â-Cyclodextrin

>  <Target> (3,199)
Others

>  <Form> (3,199)
Free Base

>  <URL> (3,199)
http://www.selleckchem.com/products/sbe-b-cd.html

>  <CAS Number> (3,199)
182410-00-0

$$$$
Tubercidin.cdx
csChFnd80/10101813032D

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    1.2566    6.3643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (3,200)
3200

>  <Formula> (3,200)
C11H14N4O4

>  <MolWeight> (3,200)
266.25326

>  <Item Name> (3,200)
Tubercidin

>  <Catalog Number> (3,200)
S8095

>  <Synonyms> (3,200)
7-deaza-adenosine

>  <Target> (3,200)
DNA/RNA Synthesis

>  <Form> (3,200)
Free Base

>  <URL> (3,200)
http://www.selleckchem.com/products/tubercidin.html

>  <CAS Number> (3,200)
69-33-0

$$$$
L755507.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,201)
3201

>  <Formula> (3,201)
C30H40N4O6S

>  <MolWeight> (3,201)
584.7268

>  <Item Name> (3,201)
L755507

>  <Catalog Number> (3,201)
S7974

>  <Synonyms> (3,201)
N/A

>  <Target> (3,201)
Adrenergic Receptor

>  <Form> (3,201)
Free Base

>  <URL> (3,201)
http://www.selleckchem.com/products/l755507.html

>  <CAS Number> (3,201)
159182-43-1

$$$$
S4582 Eflornithine  hydrochloride  hydrate.cdx
csChFnd80/10101813032D

 14 11  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2794    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,202)
3202

>  <Formula> (3,202)
C6H15ClF2N2O3

>  <MolWeight> (3,202)
236.6447064

>  <Item Name> (3,202)
Eflornithine hydrochloride hydrate

>  <Catalog Number> (3,202)
S4582

>  <Synonyms> (3,202)
Difluoromethylornithine hydrochloride hydrate

>  <Target> (3,202)
Decarboxylase

>  <Form> (3,202)
hydrochloride hydrate

>  <URL> (3,202)
http://www.selleckchem.com/products/eflornithine-hydrochloride-hydrate.html

>  <CAS Number> (3,202)
96020-91-6

$$$$
S4605 Folic acid.cdx
csChFnd80/10101813032D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 19  2  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 24 22  1  1  0  0  0
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M  END
>  <Mol_ID> (3,203)
3203

>  <Formula> (3,203)
C19H19N7O6

>  <MolWeight> (3,203)
441.39746

>  <Item Name> (3,203)
Folic acid

>  <Catalog Number> (3,203)
S4605

>  <Synonyms> (3,203)
Folacin, Vitamin B9, Vitamin M, Pteroylglutamic acid, Folate

>  <Target> (3,203)
Vitamin

>  <Form> (3,203)
Free Base

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59-30-3

$$$$
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Rho

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Free Base

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436133-68-5

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L-663536

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Lipoxygenase

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http://www.selleckchem.com/products/mk-886-l-663-536.html

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118414-82-7

$$$$
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csChFnd80/10101813032D

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Olmutinib (HM61713, BI 1482694)

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BI 1482694, HM61713, HM71224

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EGFR

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Free Base

>  <URL> (3,206)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

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1353550-13-6

$$$$
FOMEPIZOLE (fomepizole).cdx
csChFnd80/10101813032D

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4-methylpyrazole, Antizol, Antizol-Vet

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Free Base

>  <URL> (3,207)
http://www.selleckchem.com/products/Fomepizole(Antizol).html

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7554-65-6

$$$$
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csChFnd80/10101813032D

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>  <Target> (3,208)
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>  <Form> (3,208)
Free Base

>  <URL> (3,208)
http://www.selleckchem.com/products/glutathione.html

>  <CAS Number> (3,208)
70-18-8

$$$$
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N/A

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Gamma-secretase

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Free Base

>  <URL> (3,209)
http://www.selleckchem.com/products/imr-1.html

>  <CAS Number> (3,209)
310456-65-6

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>  <Target> (3,210)
Wnt/beta-catenin

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Free Base

>  <URL> (3,210)
http://www.selleckchem.com/products/iq-1.html

>  <CAS Number> (3,210)
331001-62-8

$$$$
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NSC 113939, 5-ITu

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Adenosine Receptor

>  <Form> (3,211)
Free Base

>  <URL> (3,211)
http://www.selleckchem.com/products/5-iodotubercidin.html

>  <CAS Number> (3,211)
24386-93-4

$$$$
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312756-74-4

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>  <Mol_ID> (3,213)
3213

>  <Formula> (3,213)
C20H25NO2S2

>  <MolWeight> (3,213)
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>  <Item Name> (3,213)
Tiagabine

>  <Catalog Number> (3,213)
S4675

>  <Synonyms> (3,213)
Gabitril, NO050328, NO328, TGB

>  <Target> (3,213)
GABA Receptor

>  <Form> (3,213)
Free Base

>  <URL> (3,213)
http://www.selleckchem.com/products/tiagabine.html

>  <CAS Number> (3,213)
115103-54-3

$$$$
S4684 Sildenafil.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,214)
3214

>  <Formula> (3,214)
C22H30N6O4S

>  <MolWeight> (3,214)
474.5764

>  <Item Name> (3,214)
Sildenafil

>  <Catalog Number> (3,214)
S4684

>  <Synonyms> (3,214)
Revatio, UK-92480, Viagra

>  <Target> (3,214)
PDE

>  <Form> (3,214)
Free Base

>  <URL> (3,214)
http://www.selleckchem.com/products/sildenafil.html

>  <CAS Number> (3,214)
139755-83-2

$$$$
S4694 Alosetron Hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,215)
3215

>  <Formula> (3,215)
C17H19ClN4O

>  <MolWeight> (3,215)
330.81196

>  <Item Name> (3,215)
Alosetron Hydrochloride

>  <Catalog Number> (3,215)
S4694

>  <Synonyms> (3,215)
GR 68755C, GR 68755, GR 68755X, Lotronex, GR-68755, GR68755

>  <Target> (3,215)
5-HT Receptor

>  <Form> (3,215)
hydrochloride

>  <URL> (3,215)
http://www.selleckchem.com/products/alosetron-hydrochloride.html

>  <CAS Number> (3,215)
122852-69-1

$$$$
S4654 Netupitant.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,216)
3216

>  <Formula> (3,216)
C30H32F6N4O

>  <MolWeight> (3,216)
578.5916992

>  <Item Name> (3,216)
Netupitant

>  <Catalog Number> (3,216)
S4654

>  <Synonyms> (3,216)
CID6451149, CID 6451149, CID-6451149

>  <Target> (3,216)
Substance P

>  <Form> (3,216)
Free Base

>  <URL> (3,216)
http://www.selleckchem.com/products/netupitant.html

>  <CAS Number> (3,216)
290297-26-6

$$$$
S4695 D panthenol.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,217)
3217

>  <Formula> (3,217)
C9H19NO4

>  <MolWeight> (3,217)
205.25146

>  <Item Name> (3,217)
D panthenol

>  <Catalog Number> (3,217)
S4695

>  <Synonyms> (3,217)
Dexpanthenol, D-Panthenol, Pantothenol, Ilopan, D-Pantothenyl alcohol

>  <Target> (3,217)
Vitamin

>  <Form> (3,217)
Free Base

>  <URL> (3,217)
http://www.selleckchem.com/products/d-panthenol.html

>  <CAS Number> (3,217)
81-13-0

$$$$
TRx0237 (LMTX).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,218)
3218

>  <Formula> (3,218)
C18H27N3O6S3

>  <MolWeight> (3,218)
477.61848

>  <Item Name> (3,218)
TRx0237 (LMTX) mesylate

>  <Catalog Number> (3,218)
S7762

>  <Synonyms> (3,218)
N/A

>  <Target> (3,218)
Microtubule Associated

>  <Form> (3,218)
Dimesylate

>  <URL> (3,218)
http://www.selleckchem.com/products/trx0237-lmtx.html

>  <CAS Number> (3,218)
1236208-20-0

$$$$
S4690 Vitamin E.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,219)
3219

>  <Formula> (3,219)
C29H50O2

>  <MolWeight> (3,219)
430.7061

>  <Item Name> (3,219)
Vitamin E

>  <Catalog Number> (3,219)
S4686

>  <Synonyms> (3,219)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (3,219)
COX,VEGFR

>  <Form> (3,219)
Free Base

>  <URL> (3,219)
http://www.selleckchem.com/products/vitamin-e.html

>  <CAS Number> (3,219)
59-02-9

$$$$
Z-IETD-FMK.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,220)
3220

>  <Formula> (3,220)
C32H44F4N4O13

>  <MolWeight> (3,220)
768.7043728

>  <Item Name> (3,220)
Z-IETD-FMK

>  <Catalog Number> (3,220)
S7314

>  <Synonyms> (3,220)
Caspase-8 Inhibitor

>  <Target> (3,220)
Caspase

>  <Form> (3,220)
trifluoroacetat

>  <URL> (3,220)
http://www.selleckchem.com/products/z-ietd-fmk.html

>  <CAS Number> (3,220)
210344-98-2

$$$$
S4671 Cefradine.cdx
csChFnd80/10101813032D

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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,221)
3221

>  <Formula> (3,221)
C16H19N3O4S

>  <MolWeight> (3,221)
349.40476

>  <Item Name> (3,221)
Cefradine

>  <Catalog Number> (3,221)
S4671

>  <Synonyms> (3,221)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (3,221)
Antifection

>  <Form> (3,221)
Free Base

>  <URL> (3,221)
http://www.selleckchem.com/products/cefradine.html

>  <CAS Number> (3,221)
38821-53-3

$$$$
CCF642.cdx
csChFnd80/10101813032D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544    1.7641    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6903    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6903    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5870    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8660    3.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1570    2.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5494    1.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1188    3.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0784    4.1176    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.4882    3.4719    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.8506    4.8242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4782    2.4819    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 12 13  2  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 19 21  1  0  0  0  0
  7 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,222)
3222

>  <Formula> (3,222)
C15H10N2O4S3

>  <MolWeight> (3,222)
378.4459

>  <Item Name> (3,222)
CCF642

>  <Catalog Number> (3,222)
S8281

>  <Synonyms> (3,222)
AC1LYELL

>  <Target> (3,222)
Thioredoxin

>  <Form> (3,222)
Free Base

>  <URL> (3,222)
http://www.selleckchem.com/products/ccf642.html

>  <CAS Number> (3,222)
346640-08-2

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/10101813032D

 40 41  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  6  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  1  0  0  0  0
 32 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (3,223)
3223

>  <Formula> (3,223)
C26H27F4N3O7

>  <MolWeight> (3,223)
569.5020928

>  <Item Name> (3,223)
Emricasan (IDN-6556, PF-03491390)

>  <Catalog Number> (3,223)
S7775

>  <Synonyms> (3,223)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (3,223)
Caspase

>  <Form> (3,223)
Free Base

>  <URL> (3,223)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

>  <CAS Number> (3,223)
254750-02-2

$$$$
Kanamycin sulfate.cdx
csChFnd80/10101813032D

 40 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.3451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    5.9451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    5.2451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    5.9451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.3451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    8.0451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    8.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.3427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    5.9427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    5.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.9427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    7.3427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2662    8.0427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6911    5.2427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    5.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    7.3427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6911    8.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    5.2427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3284    5.9427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3284    7.3427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1159    8.0427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    9.4403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    8.7427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    8.0403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    3.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    5.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    9.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    3.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0457    1.3951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0457    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0457    2.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4408    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  1  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
  6 22  1  1  0  0  0
  2 23  1  1  0  0  0
 16 24  1  1  0  0  0
 20 25  1  1  0  0  0
 18 26  1  1  0  0  0
  1 27  1  6  0  0  0
  5 28  1  6  0  0  0
  3 29  1  6  0  0  0
  9 30  1  6  0  0  0
 19 31  1  6  0  0  0
 21 32  1  6  0  0  0
 26 33  1  0  0  0  0
 29 34  1  0  0  0  0
 13 35  1  6  0  0  0
 36 37  2  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 36 40  1  0  0  0  0
M  END
>  <Mol_ID> (3,224)
3224

>  <Formula> (3,224)
C18H38N4O15S

>  <MolWeight> (3,224)
582.57712

>  <Item Name> (3,224)
Kanamycin sulfate

>  <Catalog Number> (3,224)
S2315

>  <Synonyms> (3,224)
Kanamycin monosulfate

>  <Target> (3,224)
Antifection

>  <Form> (3,224)
sulfate

>  <URL> (3,224)
http://www.selleckchem.com/products/Kanamycin-sulfate(Kantrex).html

>  <CAS Number> (3,224)
25389-94-0

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  1 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,225)
3225

>  <Formula> (3,225)
C15H10O4

>  <MolWeight> (3,225)
254.2375

>  <Item Name> (3,225)
7,8-Dihydroxyflavone

>  <Catalog Number> (3,225)
S8319

>  <Synonyms> (3,225)
7,8-DHF

>  <Target> (3,225)
Trk receptor

>  <Form> (3,225)
Free Base

>  <URL> (3,225)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

>  <CAS Number> (3,225)
38183-03-8

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,226)
3226

>  <Formula> (3,226)
C26H28N4O4S

>  <MolWeight> (3,226)
492.58992

>  <Item Name> (3,226)
MK-4827(Niraparib) tosylate

>  <Catalog Number> (3,226)
S7625

>  <Synonyms> (3,226)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (3,226)
PARP

>  <Form> (3,226)
4-?methylbenzen

>  <URL> (3,226)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

>  <CAS Number> (3,226)
1038915-73-9

$$$$
Polymyxin B sulphate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,227)
3227

>  <Formula> (3,227)
C56H100N16O17S

>  <MolWeight> (3,227)
1301.5552

>  <Item Name> (3,227)
Polymyxin B sulphate

>  <Catalog Number> (3,227)
S1395

>  <Synonyms> (3,227)
Aerosporin, PMB, Poly-RX

>  <Target> (3,227)
Antifection

>  <Form> (3,227)
sulfate

>  <URL> (3,227)
http://www.selleckchem.com/products/Polymyxin-B-sulphate.html

>  <CAS Number> (3,227)
1405-20-5, 4135-11-9 (free base)

$$$$
ITSA-1 (ITSA1).cdx
csChFnd80/10101813032D

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C24H24FN7O

>  <MolWeight> (3,233)
445.4920632

>  <Item Name> (3,233)
Selonsertib (GS-4997)

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S8292

>  <Synonyms> (3,233)
N/A

>  <Target> (3,233)
Caspase

>  <Form> (3,233)
Free Base

>  <URL> (3,233)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

>  <CAS Number> (3,233)
1448428-04-3

$$$$
S4706 Eugenol.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,234)
3234

>  <Formula> (3,234)
C10H12O2

>  <MolWeight> (3,234)
164.20108

>  <Item Name> (3,234)
Eugenol

>  <Catalog Number> (3,234)
S4706

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4-Allyl-2-methoxyphenol, 4-Allylguaiacol, Eugenic acid, Allylguaiacol

>  <Target> (3,234)
Others

>  <Form> (3,234)
Free Base

>  <URL> (3,234)
http://www.selleckchem.com/products/eugenol.html

>  <CAS Number> (3,234)
97-53-0

$$$$
Rivastigmine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,235)
3235

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C14H22N2O2

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250.33668

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Rivastigmine

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S4687

>  <Synonyms> (3,235)
Rivastigmine, SDZ-ENA 713, Exelon

>  <Target> (3,235)
AChR

>  <Form> (3,235)
Free Base

>  <URL> (3,235)
http://www.selleckchem.com/products/rivastigmine.html

>  <CAS Number> (3,235)
123441-03-2

$$$$
ÐÂ½¨ CS ChemDraw Drawing.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,236)
3236

>  <Formula> (3,236)
C23H22N4O3S2

>  <MolWeight> (3,236)
466.57578

>  <Item Name> (3,236)
HA15

>  <Catalog Number> (3,236)
S8299

>  <Synonyms> (3,236)
N/A

>  <Target> (3,236)
Others

>  <Form> (3,236)
Free Base

>  <URL> (3,236)
http://www.selleckchem.com/products/ha15.html

>  <CAS Number> (3,236)
1609402-14-3

$$$$
Epoxomicin.cdx
csChFnd80/10101813032D

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Proteasome

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134381-21-8

$$$$
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Aprotinin

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N/A

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Serine Protease

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http://www.selleckchem.com/products/aprotinin.html

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9087-70-1

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MK-8931

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BACE

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Trifluoroacetat

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1286770-55-5(free base)

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csChFnd80/10101813032D

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Saccharin 1-methylimidazole (SMI)

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N/A

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DNA/RNA Synthesis

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Free Base

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http://www.selleckchem.com/products/saccharin-1-methylimidazole-smi.html

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482333-74-4

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2,2-Bis(hydroxymethyl)-3-quinuclidinone

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p53

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Free Base

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5608-24-2

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csChFnd80/10101813032D

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9-(tetrahydrofuran-2-yl)-9h-purin-6-amine

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cAMP

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Free Base

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17318-31-9

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hydrochloride

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sodium salt

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http://www.selleckchem.com/products/nsc87877.html

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M  END
>  <Mol_ID> (3,247)
3247

>  <Formula> (3,247)
C13H18Cl2N2O2

>  <MolWeight> (3,247)
305.20022

>  <Item Name> (3,247)
Melphalan

>  <Catalog Number> (3,247)
S8266

>  <Synonyms> (3,247)
Alkeran, Sarcolysin, L-PAM

>  <Target> (3,247)
Others

>  <Form> (3,247)
Free Base

>  <URL> (3,247)
http://www.selleckchem.com/products/melphalan.html

>  <CAS Number> (3,247)
148-82-3

$$$$
SIS3.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,248)
3248

>  <Formula> (3,248)
C28H28ClN3O3

>  <MolWeight> (3,248)
489.99322

>  <Item Name> (3,248)
SIS3 HCl

>  <Catalog Number> (3,248)
S7959

>  <Synonyms> (3,248)
N/A

>  <Target> (3,248)
TGF-beta/Smad

>  <Form> (3,248)
hydrochloride

>  <URL> (3,248)
http://www.selleckchem.com/products/sis3.html

>  <CAS Number> (3,248)
521984-48-5

$$$$
MK-4101.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,249)
3249

>  <Formula> (3,249)
C24H24F5N5O

>  <MolWeight> (3,249)
493.472276

>  <Item Name> (3,249)
MK-4101

>  <Catalog Number> (3,249)
S8200

>  <Synonyms> (3,249)
N/A

>  <Target> (3,249)
Hedgehog/Smoothened

>  <Form> (3,249)
Free Base

>  <URL> (3,249)
http://www.selleckchem.com/products/mk-4101.html

>  <CAS Number> (3,249)
935273-79-3

$$$$
VO-Ohpic.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,250)
3250

>  <Formula> (3,250)
C12H15N2O11V

>  <MolWeight> (3,250)
414.1958

>  <Item Name> (3,250)
VO-Ohpic trihydrate

>  <Catalog Number> (3,250)
S8174

>  <Synonyms> (3,250)
N/A

>  <Target> (3,250)
Others

>  <Form> (3,250)
trihydrate

>  <URL> (3,250)
http://www.selleckchem.com/products/vo-ohpic.html

>  <CAS Number> (3,250)
476310-60-8

$$$$
S4704 D-(+)-Cellobiose.cdx
csChFnd80/10101813032D

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M  CFW   2 BOND_GSTEREO 5
M  CFW  13 BOND_GSTEREO 5
M  END
>  <Mol_ID> (3,251)
3251

>  <Formula> (3,251)
C12H22O11

>  <MolWeight> (3,251)
342.29648

>  <Item Name> (3,251)
D-(+)-Cellobiose

>  <Catalog Number> (3,251)
S4704

>  <Synonyms> (3,251)
Cellobiose|Cellose|Beta-Cellobiose|D-Cellobiose

>  <Target> (3,251)
Others

>  <Form> (3,251)
Free Base

>  <URL> (3,251)
http://www.selleckchem.com/products/d-cellobiose.html

>  <CAS Number> (3,251)
528-50-7

$$$$
S4721 L-Glutamic acid monosodium salt.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,252)
3252

>  <Formula> (3,252)
C5H8NNaO4

>  <MolWeight> (3,252)
169.11109

>  <Item Name> (3,252)
L-Glutamic acid monosodium salt

>  <Catalog Number> (3,252)
S4721

>  <Synonyms> (3,252)
Monosodium glutamate|MSG

>  <Target> (3,252)
Others

>  <Form> (3,252)
sodium salt

>  <URL> (3,252)
http://www.selleckchem.com/products/l-glutamic-acid-monosodium-salt.html

>  <CAS Number> (3,252)
142-47-2

$$$$
S4712 Diethylmaleate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,253)
3253

>  <Formula> (3,253)
C8H12O4

>  <MolWeight> (3,253)
172.17848

>  <Item Name> (3,253)
Diethylmaleate

>  <Catalog Number> (3,253)
S4712

>  <Target> (3,253)
Others

>  <Form> (3,253)
Free Base

>  <URL> (3,253)
http://www.selleckchem.com/products/diethylmaleate.html

>  <CAS Number> (3,253)
141-05-9

$$$$
BI-9564.cdx
csChFnd80/10101813032D

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3254

>  <Formula> (3,254)
C20H23N3O3

>  <MolWeight> (3,254)
353.41492

>  <Item Name> (3,254)
BI-9564

>  <Catalog Number> (3,254)
S8113

>  <Synonyms> (3,254)
N/A

>  <Target> (3,254)
Epigenetic Reader Domain

>  <Form> (3,254)
Free Base

>  <URL> (3,254)
http://www.selleckchem.com/products/bi-9564.html

>  <CAS Number> (3,254)
1883429-22-8

$$$$
EAI045.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,255)
3255

>  <Formula> (3,255)
C19H14FN3O3S

>  <MolWeight> (3,255)
383.3961632

>  <Item Name> (3,255)
EAI045

>  <Catalog Number> (3,255)
S8242

>  <Synonyms> (3,255)
N/A

>  <Target> (3,255)
EGFR

>  <Form> (3,255)
Free Base

>  <URL> (3,255)
http://www.selleckchem.com/products/eai045.html

>  <CAS Number> (3,255)
1942114-09-1

$$$$
ATI-2341.cdx
csChFnd80/10101813032D

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$$$$
GS-9620.cdx
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1228585-88-3

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csChFnd80/10101813032D

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Wnt/beta-catenin

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potassium salt

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http://www.selleckchem.com/products/kya1797k.html

>  <CAS Number> (3,259)
1956356-56-1

$$$$
AZD8835.cdx
csChFnd80/10101813032D

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http://www.selleckchem.com/products/azd8835.html

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1620576-64-8

$$$$
Necrosulfonamide.cdx
csChFnd80/10101813032D

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>  <Target> (3,261)
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Free Base

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http://www.selleckchem.com/products/necrosulfonamide.html

>  <CAS Number> (3,261)
1360614-48-7

$$$$
BAY-61-3606.cdx
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Syk

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dihydrochloride

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http://www.selleckchem.com/products/bay-61-3606.html

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648903-57-5

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Telomerase

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390362-78-4

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   15.7590    2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36 43  1  0  0  0  0
M  END
>  <Mol_ID> (3,273)
3273

>  <Formula> (3,273)
C36H42N6O

>  <MolWeight> (3,273)
574.75828

>  <Item Name> (3,273)
LLY-507

>  <Catalog Number> (3,273)
S7575

>  <Synonyms> (3,273)
N/A

>  <Target> (3,273)
Histone Methyltransferase

>  <Form> (3,273)
Free Base

>  <URL> (3,273)
http://www.selleckchem.com/products/lly-507.html

>  <CAS Number> (3,273)
1793053-37-8

$$$$
Deguelin.cdx
csChFnd80/10101813032D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (3,274)
3274

>  <Formula> (3,274)
C23H22O6

>  <MolWeight> (3,274)
394.41718

>  <Item Name> (3,274)
Deguelin

>  <Catalog Number> (3,274)
S8132

>  <Synonyms> (3,274)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (3,274)
Akt

>  <Form> (3,274)
Free Base

>  <URL> (3,274)
http://www.selleckchem.com/products/deguelin.html

>  <CAS Number> (3,274)
522-17-8

$$$$
S4700 4-Aminobutyric acid.cdx
csChFnd80/10101813032D

  7  6  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,275)
3275

>  <Formula> (3,275)
C4H9NO2

>  <MolWeight> (3,275)
103.11976

>  <Item Name> (3,275)
4-Aminobutyric acid

>  <Catalog Number> (3,275)
S4700

>  <Synonyms> (3,275)
4-Aminobutanoic acid, GABA, Gamma-aminobutyric acid, Piperidic acid

>  <Target> (3,275)
GABA Receptor

>  <Form> (3,275)
Free Base

>  <URL> (3,275)
http://www.selleckchem.com/products/4-aminobutyric-acid.html

>  <CAS Number> (3,275)
56-12-2

$$$$
S4702 Sarcosine.cdx
csChFnd80/10101813032D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (3,276)
3276

>  <Formula> (3,276)
C3H7NO2

>  <MolWeight> (3,276)
89.09318

>  <Item Name> (3,276)
Sarcosine

>  <Catalog Number> (3,276)
S4702

>  <Synonyms> (3,276)
N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (3,276)
NMDAR

>  <Form> (3,276)
Free Base

>  <URL> (3,276)
http://www.selleckchem.com/products/sarcosine.html

>  <CAS Number> (3,276)
107-97-1

$$$$
S4703 Choline bitartrate.cdx
csChFnd80/10101813032D

 17 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2402    1.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5153    2.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,277)
3277

>  <Formula> (3,277)
C9H19NO7

>  <MolWeight> (3,277)
253.24966

>  <Item Name> (3,277)
Choline bitartrate

>  <Catalog Number> (3,277)
S4703

>  <Synonyms> (3,277)
2-hydroxyethyl(trimethyl)azanium;2,3,4-trihydroxy-4-oxobutanoate

>  <Target> (3,277)
Others

>  <Form> (3,277)
tartrate

>  <URL> (3,277)
http://www.selleckchem.com/products/choline-bitartrate.html

>  <CAS Number> (3,277)
87-67-2

$$$$
S4707 Oleic Acid.cdx
csChFnd80/10101813032D

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    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,278)
3278

>  <Formula> (3,278)
C18H34O2

>  <MolWeight> (3,278)
282.46136

>  <Item Name> (3,278)
Oleic Acid

>  <Catalog Number> (3,278)
S4707

>  <Synonyms> (3,278)
Oleate, 9-Octadecenoic Acid, Elaidoic acid

>  <Target> (3,278)
Others

>  <Form> (3,278)
Free Base

>  <URL> (3,278)
http://www.selleckchem.com/products/oleic-acid.html

>  <CAS Number> (3,278)
112-80-1

$$$$
S4709 Latanoprost.cdx
csChFnd80/10101813032D

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    3.2373    7.3057    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4598    6.1253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3483    8.4038    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    5.5797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0356    9.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9835    1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7356    8.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7356   11.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  6  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (3,279)
3279

>  <Formula> (3,279)
C26H40O5

>  <MolWeight> (3,279)
432.5928

>  <Item Name> (3,279)
Latanoprost

>  <Catalog Number> (3,279)
S4709

>  <Synonyms> (3,279)
Xalatan, PhXA41, PHXA-41

>  <Target> (3,279)
GPR

>  <Form> (3,279)
Free Base

>  <URL> (3,279)
http://www.selleckchem.com/products/latanoprost.html

>  <CAS Number> (3,279)
130209-82-4

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,280)
3280

>  <Formula> (3,280)
C15H14O6

>  <MolWeight> (3,280)
290.26806

>  <Item Name> (3,280)
(+)-Catechin hydrate

>  <Catalog Number> (3,280)
S3974

>  <Synonyms> (3,280)
N/A

>  <Target> (3,280)
Others

>  <Form> (3,280)
hydrate 

>  <URL> (3,280)
http://selleckchem.com/products/catechin-hydrate.html

>  <CAS Number> (3,280)
225937-10-0

$$$$
Voreloxin  SNS-595.cdx
csChFnd80/10101813032D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,281)
3281

>  <Formula> (3,281)
C18H20ClN5O4S

>  <MolWeight> (3,281)
437.9005

>  <Item Name> (3,281)
Voreloxin (SNS-595) hydrochloride

>  <Catalog Number> (3,281)
S7518

>  <Synonyms> (3,281)
N/A

>  <Target> (3,281)
Topoisomerase

>  <Form> (3,281)
hydrochloride

>  <URL> (3,281)
http://www.selleckchem.com/products/voreloxin-sns-595.html

>  <CAS Number> (3,281)
175519-16-1

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/10101813032D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,282)
3282

>  <Formula> (3,282)
C22H15F3N4O2

>  <MolWeight> (3,282)
424.3753096

>  <Item Name> (3,282)
BAW2881 (NVP-BAW2881)

>  <Catalog Number> (3,282)
S8189

>  <Synonyms> (3,282)
N/A

>  <Target> (3,282)
VEGFR

>  <Form> (3,282)
Free Base

>  <URL> (3,282)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

>  <CAS Number> (3,282)
861875-60-7

$$$$
Leukadherin-1.cdx
csChFnd80/10101813032D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (3,287)
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>  <Formula> (3,287)
C15H20O2

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>  <Item Name> (3,287)
Alantolactone

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S8318

>  <Synonyms> (3,287)
helenin, helenine, Eupatal

>  <Target> (3,287)
Others

>  <Form> (3,287)
Free Base

>  <URL> (3,287)
http://www.selleckchem.com/products/alantolactone.html

>  <CAS Number> (3,287)
546-43-0

$$$$
ML390.cdx
csChFnd80/10101813032D

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C21H21F3N2O3

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ML390

>  <Catalog Number> (3,288)
S8382

>  <Synonyms> (3,288)
N/A

>  <Target> (3,288)
Dehydrogenase

>  <Form> (3,288)
Free Base

>  <URL> (3,288)
http://www.selleckchem.com/products/ml390.html

$$$$
SKL2001.cdx
csChFnd80/10101813032D

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>  <Formula> (3,289)
C14H14N4O3

>  <MolWeight> (3,289)
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>  <Item Name> (3,289)
SKL2001

>  <Catalog Number> (3,289)
S8320

>  <Synonyms> (3,289)
N/A

>  <Target> (3,289)
Wnt/beta-catenin

>  <Form> (3,289)
Free Base

>  <URL> (3,289)
http://www.selleckchem.com/products/skl2001.html

>  <CAS Number> (3,289)
909089-13-0

$$$$
AS101.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,290)
3290

>  <Formula> (3,290)
C2H8Cl3NO2Te

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AS101

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>  <Synonyms> (3,290)
N/A

>  <Target> (3,290)
Others

>  <Form> (3,290)
Coordination Co

>  <URL> (3,290)
http://www.selleckchem.com/products/as101.html

>  <CAS Number> (3,290)
106566-58-9

$$$$
OICR-9429.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,291)
3291

>  <Formula> (3,291)
C29H32F3N5O3

>  <MolWeight> (3,291)
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>  <Item Name> (3,291)
OICR-9429

>  <Catalog Number> (3,291)
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>  <Synonyms> (3,291)
N/A

>  <Target> (3,291)
Histone Methyltransferase

>  <Form> (3,291)
Free Base

>  <URL> (3,291)
http://www.selleckchem.com/products/oicr-9429.html

>  <CAS Number> (3,291)
1801787-56-3

$$$$
BDA-366.cdx
csChFnd80/10101813032D

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    7.2746   15.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,299)
3299

>  <Formula> (3,299)
C29H31ClN8O5

>  <MolWeight> (3,299)
607.06004

>  <Item Name> (3,299)
GSK269962 HCl

>  <Catalog Number> (3,299)
S7687

>  <Synonyms> (3,299)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (3,299)
ROCK

>  <Form> (3,299)
hydrochloride

>  <URL> (3,299)
http://www.selleckchem.com/products/gsk269962.html

>  <CAS Number> (3,299)
850664-21-0(free base)

$$$$
NT157.cdx
csChFnd80/10101813032D

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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,300)
3300

>  <Formula> (3,300)
C16H14BrNO5S

>  <MolWeight> (3,300)
412.25506

>  <Item Name> (3,300)
NT157

>  <Catalog Number> (3,300)
S8228

>  <Synonyms> (3,300)
N/A

>  <Target> (3,300)
IGF-1R

>  <Form> (3,300)
Free Base

>  <URL> (3,300)
http://www.selleckchem.com/products/nt157.html

>  <CAS Number> (3,300)
1384426-12-3

$$$$
PD-1PD-L1 Inhibitor 3.cdx
csChFnd80/10101813032D

132139  0  0  0  0  0  0  0  0999 V2000
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http://www.selleckchem.com/products/ym-58483-btp2.html

>  <CAS Number> (3,304)
223499-30-7

$$$$
BGP-15.cdx
csChFnd80/10101813032D

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BGP-15 2HCl

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N/A

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PARP

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dihydrochloride

>  <URL> (3,305)
http://www.selleckchem.com/products/bgp-15.html

>  <CAS Number> (3,305)
66611-37-8

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csChFnd80/10101813032D

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HPI-4 (Ciliobrevin A)

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Hedgehog Pathway Inhibitor 4

>  <Target> (3,306)
Hedgehog/Smoothened

>  <Form> (3,306)
Free Base

>  <URL> (3,306)
http://www.selleckchem.com/products/hpi-4-ciliobrevin-a.html

>  <CAS Number> (3,306)
302803-72-1

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/10101813032D

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3307

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ARRY-380 (ONT-380)

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Tucatinib

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HER2

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Free Base

>  <URL> (3,307)
http://www.selleckchem.com/products/arry-380-ont-380.html

>  <CAS Number> (3,307)
937263-43-9

$$$$
CPI-455.cdx
csChFnd80/10101813032D

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3308

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C16H15ClN4O

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>  <Item Name> (3,308)
CPI-455 HCl

>  <Catalog Number> (3,308)
S8287

>  <Synonyms> (3,308)
N/A

>  <Target> (3,308)
Histone Demethylase

>  <Form> (3,308)
hydrochloride

>  <URL> (3,308)
http://www.selleckchem.com/products/cpi-455.html

>  <CAS Number> (3,308)
1628208-23-0(free base)

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/10101813032D

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N/A

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c-Met

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Free Base

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http://www.selleckchem.com/products/ly2801653-merestinib.html

>  <CAS Number> (3,309)
1206799-15-6

$$$$
GDC-0084.cdx
csChFnd80/10101813032D

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GDC-0084

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N/A

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PI3K

>  <Form> (3,310)
Free Base

>  <URL> (3,310)
http://www.selleckchem.com/products/gdc-0084.html

>  <CAS Number> (3,310)
1382979-44-3

$$$$
MX69.cdx
csChFnd80/10101813032D

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3311

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N/A

>  <Target> (3,311)
Mdm2

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>  <URL> (3,311)
http://www.selleckchem.com/products/mx69.html

>  <CAS Number> (3,311)
1005264-47-0

$$$$
CA-074 methyl ester.cdx
csChFnd80/10101813032D

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>  <Formula> (3,312)
C19H31N3O6

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>  <Item Name> (3,312)
CA-074 methyl ester (CA-074 Me)

>  <Catalog Number> (3,312)
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>  <Synonyms> (3,312)
Cathepsin B Inhibitor IV

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Cysteine Protease

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Free Base

>  <URL> (3,312)
http://www.selleckchem.com/products/ca-074-methyl-ester.html

>  <CAS Number> (3,312)
147859-80-1

$$$$
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N-(2-cyclohexyloxy-4-nitrophenyl)methane sulfonamide

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COX

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Free Base

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http://www.selleckchem.com/products/ns-398-ns398.html

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123653-11-2

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ML-7.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,314)
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>  <Formula> (3,314)
C15H18ClIN2O2S

>  <MolWeight> (3,314)
452.73809

>  <Item Name> (3,314)
ML-7 HCl

>  <Catalog Number> (3,314)
S8388

>  <Synonyms> (3,314)
N/A

>  <Target> (3,314)
Others

>  <Form> (3,314)
hydrochloride

>  <URL> (3,314)
http://www.selleckchem.com/products/ml-7.html

>  <CAS Number> (3,314)
110448-33-4

$$$$
UNC3866.cdx
csChFnd80/10101813032D

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>  <Formula> (3,315)
C43H66N6O8

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UNC3866

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Free Base

>  <Target> (3,315)
Histone Methyltransferase

>  <Form> (3,315)
Free Base

>  <URL> (3,315)
http://www.selleckchem.com/products/unc3866.html

>  <CAS Number> (3,315)
1872382-47-2

$$$$
Etomoxir (Na salt).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,316)
3316

>  <Formula> (3,316)
C15H18ClNaO4

>  <MolWeight> (3,316)
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>  <Item Name> (3,316)
Etomoxir (Na salt)

>  <Catalog Number> (3,316)
S8244

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N/A

>  <Target> (3,316)
Transferase

>  <Form> (3,316)
sodium salt

>  <URL> (3,316)
http://www.selleckchem.com/products/etomoxir-na-salt.html

>  <CAS Number> (3,316)
828934-41-4

$$$$
CC-115.cdx
csChFnd80/10101813032D

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1316695-35-8

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M  END
>  <Mol_ID> (3,325)
3325

>  <Formula> (3,325)
C16H18Cl2N4O

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>  <Item Name> (3,325)
Y-39983 HCl

>  <Catalog Number> (3,325)
S7935

>  <Synonyms> (3,325)
Y-33075 HCl

>  <Target> (3,325)
ROCK

>  <Form> (3,325)
dihydrochloride

>  <URL> (3,325)
http://www.selleckchem.com/products/y-39983-hcl.html

>  <CAS Number> (3,325)
173897-44-4

$$$$
APR-246 (PRIMA-1MET).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,326)
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C10H17NO3

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N/A

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p53

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Free Base

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http://www.selleckchem.com/products/apr-246-prima-1met.html

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5291-32-7

$$$$
MS049.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,327)
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C15H26Cl2N2O

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MS049

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S8147

>  <Synonyms> (3,327)
N/A

>  <Target> (3,327)
Histone Methyltransferase

>  <Form> (3,327)
dihydrochloride

>  <URL> (3,327)
http://www.selleckchem.com/products/ms049.html

>  <CAS Number> (3,327)
1502816-23-0(free base)

$$$$
CeMMEC1.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,328)
3328

>  <Formula> (3,328)
C19H17ClN2O4

>  <MolWeight> (3,328)
372.80228

>  <Item Name> (3,328)
CeMMEC1 HCl

>  <Catalog Number> (3,328)
S8328

>  <Synonyms> (3,328)
N/A

>  <Target> (3,328)
DNA/RNA Synthesis

>  <Form> (3,328)
hydrochloride

>  <URL> (3,328)
http://www.selleckchem.com/products/cemmec1.html

>  <CAS Number> (3,328)
440662-09-9(free base)

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,329)
3329

>  <Formula> (3,329)
C21H20N2O3S

>  <MolWeight> (3,329)
380.4601

>  <Item Name> (3,329)
ZINC00881524 (ROCK inhibitor)

>  <Catalog Number> (3,329)
S8448

>  <Synonyms> (3,329)
N/A

>  <Target> (3,329)
ROCK

>  <Form> (3,329)
Free Base

>  <URL> (3,329)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

>  <CAS Number> (3,329)
557782-81-7

$$$$
STO-609.cdx
csChFnd80/10101813032D

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>  <Formula> (3,330)
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>  <Item Name> (3,330)
STO-609

>  <Catalog Number> (3,330)
S8274

>  <Synonyms> (3,330)
N/A

>  <Target> (3,330)
CaMK

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Free Base

>  <URL> (3,330)
http://www.selleckchem.com/products/sto-609.html

>  <CAS Number> (3,330)
52029-86-4

$$$$
AZD3293 (LY3314814).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,334)
3334

>  <Formula> (3,334)
C31H30Cl3N7O2

>  <MolWeight> (3,334)
638.9746

>  <Item Name> (3,334)
THZ1 2HCl

>  <Catalog Number> (3,334)
S7549

>  <Synonyms> (3,334)
N/A

>  <Target> (3,334)
CDK

>  <Form> (3,334)
dihydrochloride

>  <URL> (3,334)
http://www.selleckchem.com/products/thz1.html

>  <CAS Number> (3,334)
1604810-83-4(free base)

$$$$
UNC0638.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,335)
3335

>  <Formula> (3,335)
C30H47N5O2

>  <MolWeight> (3,335)
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>  <Item Name> (3,335)
UNC0638

>  <Catalog Number> (3,335)
S8071

>  <Synonyms> (3,335)
N/A

>  <Target> (3,335)
Histone Methyltransferase

>  <Form> (3,335)
Free Base

>  <URL> (3,335)
http://www.selleckchem.com/products/unc0638.html

>  <CAS Number> (3,335)
1255580-76-7

$$$$
GSK2269557.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,336)
3336

>  <Formula> (3,336)
C26H28N6O

>  <MolWeight> (3,336)
440.54012

>  <Item Name> (3,336)
GSK2269557

>  <Catalog Number> (3,336)
S7937

>  <Synonyms> (3,336)
Nemiralisib

>  <Target> (3,336)
PI3K

>  <Form> (3,336)
Free Base

>  <URL> (3,336)
http://www.selleckchem.com/products/gsk2269557.html

>  <CAS Number> (3,336)
1254036-71-9

$$$$
Salinomycin.cdx
csChFnd80/10101813032D

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Coxistac, Bio-cox

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http://www.selleckchem.com/products/salinomycin.html

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53003-10-4

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Sodium salt

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24276-84-4

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Kinesin

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Free Base

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http://www.selleckchem.com/products/monastrol.html

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329689-23-8

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Gamma-secretase

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1421438-81-4

$$$$
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76822-21-4

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Histone Methyltransferase

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dihydrochloride

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TRPV

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M  END
>  <Mol_ID> (3,347)
3347

>  <Formula> (3,347)
C23H17FN6O2

>  <MolWeight> (3,347)
428.4184832

>  <Item Name> (3,347)
TAK-063

>  <Catalog Number> (3,347)
S8459

>  <Synonyms> (3,347)
Balipodect

>  <Target> (3,347)
PDE

>  <Form> (3,347)
Free Base

>  <URL> (3,347)
http://www.selleckchem.com/products/tak-063.html

>  <CAS Number> (3,347)
1238697-26-1

$$$$
1400W.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,348)
3348

>  <Formula> (3,348)
C10H17Cl2N3

>  <MolWeight> (3,348)
250.16808

>  <Item Name> (3,348)
1400W 2HCl

>  <Catalog Number> (3,348)
S8337

>  <Synonyms> (3,348)
N-(3-(Aminomethyl)benzyl)acetamidine

>  <Target> (3,348)
Others

>  <Form> (3,348)
dihydrochloride

>  <URL> (3,348)
http://www.selleckchem.com/products/1400w.html

>  <CAS Number> (3,348)
214358-33-5

$$$$
ARQ 092.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,349)
3349

>  <Formula> (3,349)
C27H25ClN6

>  <MolWeight> (3,349)
468.9806

>  <Item Name> (3,349)
Miransertib (ARQ 092)HCl

>  <Catalog Number> (3,349)
S8339

>  <Synonyms> (3,349)
Miransertib

>  <Target> (3,349)
Akt

>  <Form> (3,349)
hydrochloride

>  <URL> (3,349)
http://www.selleckchem.com/products/arq-092.html

>  <CAS Number> (3,349)
1313883-00-9

$$$$
>  <Mol_ID> (3,350)
3350

>  <Item Name> (3,350)
Grape Seed Extract

>  <Catalog Number> (3,350)
S2305

>  <Synonyms> (3,350)
N/A

>  <Target> (3,350)
Others

>  <URL> (3,350)
http://www.selleckchem.com/products/Grape-Seed-Extract.html

>  <CAS Number> (3,350)
84929-27-1

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,351)
3351

>  <Formula> (3,351)
C21H25N7O

>  <MolWeight> (3,351)
391.4695

>  <Item Name> (3,351)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Catalog Number> (3,351)
S8456

>  <Synonyms> (3,351)
N/A

>  <Target> (3,351)
PI3K

>  <Form> (3,351)
Free Base

>  <URL> (3,351)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

>  <CAS Number> (3,351)
1383716-46-8

$$$$
KRIBB11.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,352)
3352

>  <Formula> (3,352)
C13H12N6O2

>  <MolWeight> (3,352)
284.27338

>  <Item Name> (3,352)
KRIBB11

>  <Catalog Number> (3,352)
S8402

>  <Synonyms> (3,352)
N/A

>  <Target> (3,352)
HSP (e.g. HSP90)

>  <Form> (3,352)
Free Base

>  <URL> (3,352)
http://www.selleckchem.com/products/kribb11.html

>  <CAS Number> (3,352)
342639-96-7

$$$$
BP-1-102.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,353)
3353

>  <Formula> (3,353)
C29H27F5N2O6S

>  <MolWeight> (3,353)
626.591496

>  <Item Name> (3,353)
BP-1-102

>  <Catalog Number> (3,353)
S7769

>  <Synonyms> (3,353)
N/A

>  <Target> (3,353)
STAT

>  <Form> (3,353)
Free Base

>  <URL> (3,353)
http://www.selleckchem.com/products/bp-1-102.html

>  <CAS Number> (3,353)
1334493-07-0

$$$$
PACAP 1-27.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,354)
3354

>  <Formula> (3,354)
C142H224N40O39S

>  <MolWeight> (3,354)
3147.60756

>  <Item Name> (3,354)
PACAP 1-27

>  <Catalog Number> (3,354)
S8414

>  <Synonyms> (3,354)
N/A

>  <Target> (3,354)
cAMP

>  <Form> (3,354)
Free Base

>  <URL> (3,354)
http://www.selleckchem.com/products/pacap-1-27.html

>  <CAS Number> (3,354)
127317-03-7

$$$$
OTS514.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,355)
3355

>  <Formula> (3,355)
C21H21ClN2O2S

>  <MolWeight> (3,355)
400.92164

>  <Item Name> (3,355)
OTS514 hydrochloride

>  <Catalog Number> (3,355)
S7652

>  <Synonyms> (3,355)
N/A

>  <Target> (3,355)
TOPK

>  <Form> (3,355)
hydrochloride

>  <URL> (3,355)
http://www.selleckchem.com/products/ots514.html

>  <CAS Number> (3,355)
1338540-63-8(free base)

$$$$
SAR-020106.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,356)
3356

>  <Formula> (3,356)
C19H19ClN6O

>  <MolWeight> (3,356)
382.84676

>  <Item Name> (3,356)
SAR-020106

>  <Catalog Number> (3,356)
S7740

>  <Synonyms> (3,356)
N/A

>  <Target> (3,356)
Chk

>  <Form> (3,356)
Free Base

>  <URL> (3,356)
http://www.selleckchem.com/products/sar-020106.html

>  <CAS Number> (3,356)
1184843-57-9

$$$$
Importazole.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,357)
3357

>  <Formula> (3,357)
C20H22N4

>  <MolWeight> (3,357)
318.41548

>  <Item Name> (3,357)
Importazole

>  <Catalog Number> (3,357)
S8446

>  <Synonyms> (3,357)
N/A

>  <Target> (3,357)
Others

>  <Form> (3,357)
Free Base

>  <URL> (3,357)
http://www.selleckchem.com/products/importazole.html

>  <CAS Number> (3,357)
662163-81-7

$$$$
MI-463.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,358)
3358

>  <Formula> (3,358)
C24H23F3N6S

>  <MolWeight> (3,358)
484.5398296

>  <Item Name> (3,358)
MI-463

>  <Catalog Number> (3,358)
S7816

>  <Synonyms> (3,358)
N/A

>  <Target> (3,358)
Histone Methyltransferase

>  <Form> (3,358)
Free Base

>  <URL> (3,358)
http://www.selleckchem.com/products/mi-463.html

>  <CAS Number> (3,358)
1628317-18-9

$$$$
RRx-001.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,359)
3359

>  <Formula> (3,359)
C5H6BrN3O5

>  <MolWeight> (3,359)
268.02224

>  <Item Name> (3,359)
RRx-001

>  <Catalog Number> (3,359)
S8405

>  <Synonyms> (3,359)
N/A

>  <Target> (3,359)
Dehydrogenase

>  <Form> (3,359)
Free Base

>  <URL> (3,359)
http://www.selleckchem.com/products/rrx-001.html

>  <CAS Number> (3,359)
925206-65-1

$$$$
PNU-74654.cdx
csChFnd80/10101813032D

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Wnt/beta-catenin

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Serine Protease

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256476-36-5

$$$$
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Histone Methyltransferase

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Free Base

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http://www.selleckchem.com/products/mi-503.html

>  <CAS Number> (3,372)
1857417-13-0

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/10101813032D

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EGFR

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http://www.selleckchem.com/products/naquotinib-asp8273.html

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1448232-80-1

$$$$
LXR-623 (WAY-252623).cdx
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N/A

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Liver X Receptor

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Free Base

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http://www.selleckchem.com/products/lxr-623-way-252623.html

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875787-07-8

$$$$
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csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,375)
3375

>  <Formula> (3,375)
C182H300N56O45S

>  <MolWeight> (3,375)
4024.7426

>  <Item Name> (3,375)
PACAP 6-38

>  <Catalog Number> (3,375)
S8416

>  <Synonyms> (3,375)
N/A

>  <Target> (3,375)
cAMP

>  <Form> (3,375)
Free Base

>  <URL> (3,375)
http://www.selleckchem.com/products/pacap-6-38.html

>  <CAS Number> (3,375)
143748-18-9

$$$$
PACAP 1-38.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,376)
3376

>  <Formula> (3,376)
C203H331N63O53S

>  <MolWeight> (3,376)
4534.25554

>  <Item Name> (3,376)
PACAP 1-38

>  <Catalog Number> (3,376)
S8415

>  <Synonyms> (3,376)
N/A

>  <Target> (3,376)
cAMP

>  <Form> (3,376)
Free Base

>  <URL> (3,376)
http://www.selleckchem.com/products/pacap-1-38.html

>  <CAS Number> (3,376)
137061-48-4

$$$$
LDC4297 (LDC044297).cdx
csChFnd80/10101813032D

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1453834-21-3

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BTK

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hydrochloride

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1439901-97-9

$$$$
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1105698-15-4

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125314-13-8

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1187990-87-9

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Nazartinib (EGF816, NVS-816).cdx
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http://www.selleckchem.com/products/b02.html

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1290541-46-6

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csChFnd80/10101813032D

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dihydrochloride

>  <URL> (3,394)
http://www.selleckchem.com/products/ots964.html

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1338545-07-5(HCl salt)

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CC-930.cdx
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JNK

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hydrochloride

>  <URL> (3,395)
http://www.selleckchem.com/products/cc-930.html

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899805-25-5 (free base)

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Epigenetic Reader Domain

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Free Base

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http://www.selleckchem.com/products/eed226.html

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2083627-02-3

$$$$
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csChFnd80/10101813032D

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PRT318

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Syk

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hydrochloride salt

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1194961-19-7 (free base)

$$$$
BIX01294 3HCl.cdx
csChFnd80/10101813032D

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Histone Methyltransferase

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trihydrochloride

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http://www.selleckchem.com/products/bix-01294.html

>  <CAS Number> (3,408)
1392399-03-9

$$$$
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GLUT

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Free Base

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1799753-84-6

$$$$
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csChFnd80/10101813032D

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Immunology & Inflammation related

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trifluoroacetate

>  <URL> (3,411)
http://www.selleckchem.com/products/cl-amidine.html

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1043444-18-3

$$$$
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Epigenetic Reader Domain

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2-Naphthalenecarboxylic acid

>  <URL> (3,412)
http://www.selleckchem.com/products/azd5153.html

>  <CAS Number> (3,412)
1869912-40-2

$$$$
YU238259.cdx
csChFnd80/10101813032D

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D-Ala-peptide T-amide, peptide T

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gp120 Bal-CCR5,CM235-CCR5

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free base

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106362-34-9

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M  END
>  <Mol_ID> (3,419)
3419

>  <Formula> (3,419)
C66H99N23O17S2

>  <MolWeight> (3,419)
1550.76616

>  <Item Name> (3,419)
Compstatin

>  <Catalog Number> (3,419)
S8522

>  <Synonyms> (3,419)
N/A

>  <Target> (3,419)
complement component C3

>  <Form> (3,419)
free base

>  <URL> (3,419)
http://www.selleckchem.com/products/compstatin.html

>  <CAS Number> (3,419)
206645-99-0

$$$$
TAS-102.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,420)
3420

>  <Formula> (3,420)
C29H34Cl2F6N8O12

>  <MolWeight> (3,420)
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>  <Item Name> (3,420)
TAS-102

>  <Catalog Number> (3,420)
S8539

>  <Synonyms> (3,420)
N/A

>  <Target> (3,420)
others

>  <Form> (3,420)
hydrochloride

>  <URL> (3,420)
http://www.selleckchem.com/products/tas-102.html

>  <CAS Number> (3,420)
733030-01-8

$$$$
ARS-853.cdx
csChFnd80/10101813032D

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N/A

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DNA-PK

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free base

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http://www.selleckchem.com/products/lturm34.html

>  <CAS Number> (3,424)
1879887-96-3

$$$$
Ac-DEVD-CHO.cdx
csChFnd80/10101813032D

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Caspase-3 Inhibitor I, N-Ac-Asp-Glu-Val-Asp-CHO

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Caspase

>  <Form> (3,425)
free base

>  <URL> (3,425)
http://www.selleckchem.com/products/ac-devd-cho.html

>  <CAS Number> (3,425)
169332-60-9

$$$$
LY2606368.cdx
csChFnd80/10101813032D

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Prexasertib (LY2606368)

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>  <Synonyms> (3,426)
N/A

>  <Target> (3,426)
Chk1,Chk2,RSK

>  <Form> (3,426)
dihydrochloride

>  <URL> (3,426)
http://www.selleckchem.com/products/ly2606368.html

>  <CAS Number> (3,426)
1234015-54-3

$$$$
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>  <URL> (3,427)
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1286770-55-5

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N/A

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SUV420H1,SUV420H2

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free base

>  <URL> (3,428)
http://www.selleckchem.com/products/a-196.html

>  <CAS Number> (3,428)
1982372-88-2

$$$$
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>  <Target> (3,429)
Raf,Src,S6 Kinase,RET V804M,RET V804L,RET wt

>  <Form> (3,429)
free base

>  <URL> (3,429)
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>  <CAS Number> (3,429)
1384071-99-1

$$$$
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CARM1

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free base

>  <URL> (3,430)
http://www.selleckchem.com/products/sgc2085.html

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1821908-48-8

$$$$
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M  END
>  <Mol_ID> (3,431)
3431

>  <Formula> (3,431)
C142H226N40O48

>  <MolWeight> (3,431)
3261.55304

>  <Item Name> (3,431)
AUNP-12

>  <Catalog Number> (3,431)
S8549

>  <Synonyms> (3,431)
Aur-012, Aurigene-012, Aurigene NP-12

>  <Target> (3,431)
PD-1

>  <URL> (3,431)
http://www.selleckchem.com/products/aunp-12.html

>  <CAS Number> (3,431)
1353563-85-5

$$$$
Lixisenatide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,432)
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>  <Formula> (3,432)
C215H347N61O65S

>  <MolWeight> (3,432)
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>  <Item Name> (3,432)
Lixisenatide

>  <Catalog Number> (3,432)
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>  <Synonyms> (3,432)
Lyxumia, Adlyxin, ZP10A peptide, AVE0010

>  <Target> (3,432)
GLP-1R

>  <Form> (3,432)
free base

>  <URL> (3,432)
http://www.selleckchem.com/products/lixisenatide.html

>  <CAS Number> (3,432)
827033-10-3

$$$$
RXDX-106 (CEP-40783).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,433)
3433

>  <Formula> (3,433)
C31H26F2N4O6

>  <MolWeight> (3,433)
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>  <Item Name> (3,433)
RXDX-106 (CEP-40783)

>  <Catalog Number> (3,433)
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>  <Synonyms> (3,433)
N/A

>  <Target> (3,433)
Axl,c-Met,Tyro3,MER,Tyro3,VEGFR2

>  <Form> (3,433)
free base

>  <URL> (3,433)
http://www.selleckchem.com/products/rxdx-106-cep-40783.html

>  <CAS Number> (3,433)
1437321-24-8

$$$$
GDC-0326.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,439)
3439

>  <Formula> (3,439)
C18H17ClN4O

>  <MolWeight> (3,439)
340.80678

>  <Item Name> (3,439)
MSC2530818

>  <Catalog Number> (3,439)
S8387

>  <Synonyms> (3,439)
N/A

>  <Target> (3,439)
CDK8

>  <Form> (3,439)
free base

>  <URL> (3,439)
http://www.selleckchem.com/products/msc2530818.html

>  <CAS Number> (3,439)
1883423-59-3

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,440)
3440

>  <Formula> (3,440)
C33H29F2N5O4S

>  <MolWeight> (3,440)
629.6762664

>  <Item Name> (3,440)
Sitravatinib (MGCD516)

>  <Catalog Number> (3,440)
S8573

>  <Synonyms> (3,440)
MG-516

>  <Target> (3,440)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (3,440)
free base

>  <URL> (3,440)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

>  <CAS Number> (3,440)
1123837-84-2

$$$$
Tirofiban Hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,441)
3441

>  <Formula> (3,441)
C22H39ClN2O6S

>  <MolWeight> (3,441)
495.07286

>  <Item Name> (3,441)
Tirofiban Hydrochloride

>  <Catalog Number> (3,441)
S8594

>  <Synonyms> (3,441)
MK-383 Hydrochloride

>  <Target> (3,441)
GPIIb/IIIa

>  <Form> (3,441)
hydrochloride hydrate

>  <URL> (3,441)
http://www.selleckchem.com/products/tirofiban-hydrochlorid.html

>  <CAS Number> (3,441)
150915-40-5

$$$$
3BDO.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,442)
3442

>  <Formula> (3,442)
C18H17NO5

>  <MolWeight> (3,442)
327.33128

>  <Item Name> (3,442)
3BDO

>  <Catalog Number> (3,442)
S8317

>  <Synonyms> (3,442)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (3,442)
FKBP1A

>  <Form> (3,442)
free base

>  <URL> (3,442)
http://www.selleckchem.com/products/3bdo.html

>  <CAS Number> (3,442)
890405-51-3

$$$$
A-317491.cdx
csChFnd80/10101813032D

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PI3K¦Ã

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1693758-51-8

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M  END
>  <Mol_ID> (3,459)
3459

>  <Formula> (3,459)
C19H17N3O2S2

>  <MolWeight> (3,459)
383.48718

>  <Item Name> (3,459)
GSK'872 (GSK2399872A)

>  <Catalog Number> (3,459)
S8465

>  <Synonyms> (3,459)
N/A

>  <Target> (3,459)
RIP3K

>  <Form> (3,459)
Free base

>  <URL> (3,459)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

>  <CAS Number> (3,459)
1346546-69-7

$$$$
KRpep-2d.cdx
csChFnd80/10101813032D

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K-Ras(G12D)

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http://www.selleckchem.com/products/kppep-2d.html

$$$$
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N/A

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PI3K¦Á 

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1268454-23-4

$$$$
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MCT

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free base

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http://www.selleckchem.com/products/alpha-cyano-4-hydroxycinnamic-acid-alpha-chca.html

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28166-41-8

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/10101813032D

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bichloroacetic acid, BCA

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PDK

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sodium salt

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http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

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2156-56-1

$$$$
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M  END
>  <Mol_ID> (3,464)
3464

>  <Formula> (3,464)
C33H44FN5O3

>  <MolWeight> (3,464)
577.7325632

>  <Item Name> (3,464)
Belizatinib (TSR-011)

>  <Catalog Number> (3,464)
S8511

>  <Synonyms> (3,464)
N/A

>  <Target> (3,464)
ALK,TRK

>  <Form> (3,464)
free base

>  <URL> (3,464)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

>  <CAS Number> (3,464)
1357920-84-3

$$$$
HJC0152.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,465)
3465

>  <Formula> (3,465)
C15H14Cl3N3O4

>  <MolWeight> (3,465)
406.64836

>  <Item Name> (3,465)
HJC0152

>  <Catalog Number> (3,465)
S8561

>  <Synonyms> (3,465)
N/A

>  <Target> (3,465)
STAT3

>  <Form> (3,465)
hydrochloride

>  <URL> (3,465)
http://www.selleckchem.com/products/hjc0152.html

>  <CAS Number> (3,465)
1420290-99-8

$$$$
Autophinib.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,466)
3466

>  <Formula> (3,466)
C14H11ClN6O3

>  <MolWeight> (3,466)
346.72854

>  <Item Name> (3,466)
Autophinib

>  <Catalog Number> (3,466)
S8596

>  <Synonyms> (3,466)
N/A

>  <Target> (3,466)
autophagy

>  <Form> (3,466)
free base

>  <URL> (3,466)
http://www.selleckchem.com/products/autophinib.html

>  <CAS Number> (3,466)
1644443-47-9

$$$$
FIN56.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,467)
3467

>  <Formula> (3,467)
C25H31N3O5S2

>  <MolWeight> (3,467)
517.66074

>  <Item Name> (3,467)
FIN56

>  <Catalog Number> (3,467)
S8254

>  <Synonyms> (3,467)
N/A

>  <Target> (3,467)
squalene synthase,ferroptosis

>  <Form> (3,467)
free base

>  <URL> (3,467)
http://www.selleckchem.com/products/fin56.html

>  <CAS Number> (3,467)
1083162-61-1

$$$$
BGB-283.cdx
csChFnd80/10101813032D

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$$$$
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Met,ALK 

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$$$$
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1916571-90-8

$$$$
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http://www.selleckchem.com/products/tucidinostat-chidamide.html

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743420-02-2

$$$$
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N/A

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UPR

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free base

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http://www.selleckchem.com/products/azoramide.html

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932986-18-0

$$$$
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SGLT2 

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free base

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http://www.selleckchem.com/products/ipragliflozin-asp-1941.html

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761423-87-4

$$$$
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Avapritinib (BLU-285),c-Kit (D816V)

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free base

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http://www.selleckchem.com/products/blu-285.html

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1703793-34-3

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3-TYP.cdx
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free base

>  <URL> (3,480)
http://www.selleckchem.com/products/3-typ.html

>  <CAS Number> (3,480)
120241-79-4

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csChFnd80/10101813032D

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free base

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http://www.selleckchem.com/products/pf-06726304.html

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1616287-82-1

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R-IMPP.cdx
csChFnd80/10101813032D

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PCSK9 

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>  <URL> (3,482)
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no cas

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Autophagy

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free base

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http://www.selleckchem.com/products/roc-325.html

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1859141-26-6

$$$$
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516480-79-8

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M  END
>  <Mol_ID> (3,485)
3485

>  <Formula> (3,485)
C22H27N7O2S

>  <MolWeight> (3,485)
453.56048

>  <Item Name> (3,485)
LY3214996

>  <Catalog Number> (3,485)
S8534

>  <Synonyms> (3,485)
N/A

>  <Target> (3,485)
ERK1,ERK2

>  <Form> (3,485)
free base

>  <URL> (3,485)
http://www.selleckchem.com/products/ly3214996.html

>  <CAS Number> (3,485)
1951483-29-6

$$$$
CP2.cdx
csChFnd80/10101813032D

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128127  1  0  0  0  0
127132  1  0  0  0  0
127133  1  6  0  0  0
M  END
>  <Mol_ID> (3,486)
3486

>  <Formula> (3,486)
C92H120N24O26S

>  <MolWeight> (3,486)
2010.1474

>  <Item Name> (3,486)
CP2

>  <Catalog Number> (3,486)
S8601

>  <Synonyms> (3,486)
N/A

>  <Target> (3,486)
KDM4C,KDM4A

>  <Form> (3,486)
free base

>  <URL> (3,486)
http://www.selleckchem.com/products/cp2.html

>  <CAS Number> (3,486)
No

$$$$
S3619 Citicoline sodium.cdx
csChFnd80/10101813032D

 32 32  0  0  0  0  0  0  0  0999 V2000
   11.4612    5.3353    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4663    6.7353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3399    4.5435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    4.5186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2702    7.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6935    7.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7487    3.2064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1484    3.1897    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9332    4.9464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2665    8.8465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0550    6.7476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6898    8.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9138    2.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9573    2.0470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4588    9.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5212    2.2439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4463   10.9546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6892    1.1239    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.5596    1.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8544    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8073    0.2933    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2782    1.4087    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.7197    2.6997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8314    0.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9933    0.8528    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3328    2.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7747    4.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    4.3109    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2306    2.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    5.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0548    0.3387    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
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 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (3,487)
3487

>  <Formula> (3,487)
C14H25N4NaO11P2

>  <MolWeight> (3,487)
510.305792

>  <Item Name> (3,487)
Citicoline sodium

>  <Catalog Number> (3,487)
S3619

>  <Synonyms> (3,487)
CDP-choline

>  <Target> (3,487)
Others

>  <Form> (3,487)
sodium salt

>  <URL> (3,487)
http://www.selleckchem.com/products/citicoline-sodium.html

>  <CAS Number> (3,487)
33818-15-4

$$$$
S3703 Phenethyl alcohol.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,488)
3488

>  <Formula> (3,488)
C8H10O

>  <MolWeight> (3,488)
122.1644

>  <Item Name> (3,488)
Phenethyl alcohol

>  <Catalog Number> (3,488)
S3703

>  <Synonyms> (3,488)
2-phenylethanol, 2-Phenylethyl alcohol, Benzeneethanol, Phenylethanol

>  <Target> (3,488)
Others

>  <Form> (3,488)
free base

>  <URL> (3,488)
http://www.selleckchem.com/products/phenethyl-alcohol.html

>  <CAS Number> (3,488)
60-12-8

$$$$
CPI-444.cdx
csChFnd80/10101813032D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.8723    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8723    4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0848    3.7271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2972    4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2972    5.8271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0848    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5408    6.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179    5.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5408    3.9944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5096    3.7271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0848    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2174    8.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7848   10.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3848   10.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9521    8.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4326    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 11 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,489)
3489

>  <Formula> (3,489)
C16H12FN5O

>  <MolWeight> (3,489)
309.2977832

>  <Item Name> (3,489)
A2AR antagonist 1

>  <Catalog Number> (3,489)
S8575

>  <Synonyms> (3,489)
N/A

>  <Target> (3,489)
A2AR,A1R

>  <Form> (3,489)
free base

>  <URL> (3,489)
http://www.selleckchem.com/products/a2ar-antagonist-1.html

>  <CAS Number> (3,489)
443103-97-7

$$$$
S3631 (S)-Methylisothiourea sulfate.cdx
csChFnd80/10101813032D

  6  4  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4926    0.7480    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
A    6
?0.5H2SO4?
M  END
>  <Mol_ID> (3,490)
3490

>  <Formula> (3,490)
C2H6N2RS

>  <MolWeight> (3,490)
90.14744

>  <Item Name> (3,490)
(S)-Methylisothiourea sulfate

>  <Catalog Number> (3,490)
S3631

>  <Synonyms> (3,490)
N/A

>  <Target> (3,490)
iNOS

>  <Form> (3,490)
sulfate

>  <URL> (3,490)
http://www.selleckchem.com/products/s-methylisothiourea-sulfate.html

>  <CAS Number> (3,490)
867-44-7

$$$$
ACSS2 inhibitor.cdx
csChFnd80/10101813032D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.8531    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    5.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,491)
3491

>  <Formula> (3,491)
C20H18N4O2S2

>  <MolWeight> (3,491)
410.51252

>  <Item Name> (3,491)
ACSS2 inhibitor

>  <Catalog Number> (3,491)
S8588

>  <Synonyms> (3,491)
N/A

>  <Target> (3,491)
ACSS2

>  <Form> (3,491)
free base

>  <URL> (3,491)
http://www.selleckchem.com/products/acss2-inhibitor.html

>  <CAS Number> (3,491)
508186-14-9

$$$$
S3620 ¦Â-Glycerophosphate (sodium salt hydrate).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,492)
3492

>  <Formula> (3,492)
C3H17Na2O11P

>  <MolWeight> (3,492)
306.113781

>  <Item Name> (3,492)
¦Â-Glycerophosphate sodium salt hydrate

>  <Catalog Number> (3,492)
S3620

>  <Synonyms> (3,492)
N/A

>  <Target> (3,492)
phosphotase

>  <Form> (3,492)
sodium salt hydrate

>  <URL> (3,492)
http://www.selleckchem.com/products/beta-glycerophosphate-sodium-salt-hydrate.html

>  <CAS Number> (3,492)
13408-09-8

$$$$
PF-06409577.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,493)
3493

>  <Formula> (3,493)
C19H16ClNO3

>  <MolWeight> (3,493)
341.78824

>  <Item Name> (3,493)
PF-06409577

>  <Catalog Number> (3,493)
S8335

>  <Synonyms> (3,493)
N/A

>  <Target> (3,493)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (3,493)
free base

>  <URL> (3,493)
http://www.selleckchem.com/products/pf-06409577.html

>  <CAS Number> (3,493)
1467057-23-3

$$$$
CCG-203971.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,494)
3494

>  <Formula> (3,494)
C23H21ClN2O3

>  <MolWeight> (3,494)
408.87744

>  <Item Name> (3,494)
CCG-203971

>  <Catalog Number> (3,494)
S8469

>  <Synonyms> (3,494)
N/A

>  <Target> (3,494)
SRE.L

>  <Form> (3,494)
free base

>  <URL> (3,494)
http://www.selleckchem.com/products/ccg-203971.html

>  <CAS Number> (3,494)
1443437-74-8

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,495)
3495

>  <Formula> (3,495)
C14H21NO3S

>  <MolWeight> (3,495)
283.38644

>  <Item Name> (3,495)
Reparixin (Repertaxin)

>  <Catalog Number> (3,495)
S8640

>  <Synonyms> (3,495)
N/A

>  <Target> (3,495)
CXCR1,CXCR2,CXCL8

>  <Form> (3,495)
free base

>  <URL> (3,495)
http://www.selleckchem.com/products/reparixin-repertaxin.html

>  <CAS Number> (3,495)
266359-83-5

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,496)
3496

>  <Formula> (3,496)
C18H19NO2S2

>  <MolWeight> (3,496)
345.47896

>  <Item Name> (3,496)
PKM2 inhibitor(compound 3k)

>  <Catalog Number> (3,496)
S8616

>  <Synonyms> (3,496)
N/A

>  <Target> (3,496)
PKM2

>  <Form> (3,496)
free base

>  <URL> (3,496)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

>  <CAS Number> (3,496)
94164-88-2

$$$$
S3650 Penicillin V potassium salt.cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.4711    2.8060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,497)
3497

>  <Formula> (3,497)
C16H17KN2O5S

>  <MolWeight> (3,497)
388.47988

>  <Item Name> (3,497)
Penicillin V potassium salt

>  <Catalog Number> (3,497)
S3650

>  <Synonyms> (3,497)
Phenoxymethylpenicillin potassium salt

>  <Target> (3,497)
Antifection

>  <Form> (3,497)
potassium salt

>  <URL> (3,497)
http://www.selleckchem.com/products/penicillin-v-potassium-salt.html

>  <CAS Number> (3,497)
132-98-9

$$$$
Chondroitin sulfate.cdx
csChFnd80/10101813032D

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A   33
n
M  END
>  <Mol_ID> (3,498)
3498

>  <Formula> (3,498)
C16H27NO14RS

>  <MolWeight> (3,498)
489.44888

>  <Item Name> (3,498)
Chondroitin sulfate

>  <Catalog Number> (3,498)
S2416

>  <Synonyms> (3,498)
N/A

>  <Target> (3,498)
Others

>  <Form> (3,498)
sulfate

>  <URL> (3,498)
http://www.selleckchem.com/products/chondroitin-sulfate.html

>  <CAS Number> (3,498)
9007-28-7

$$$$
S3667 Imipenem.cdx
csChFnd80/10101813032D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,499)
3499

>  <Formula> (3,499)
C12H19N3O5S

>  <MolWeight> (3,499)
317.36136

>  <Item Name> (3,499)
Imipenem

>  <Catalog Number> (3,499)
S3667

>  <Synonyms> (3,499)
N/A

>  <Target> (3,499)
AmpC ¦Â-lactamase

>  <Form> (3,499)
hydrate

>  <URL> (3,499)
http://www.selleckchem.com/products/imipenem.html

>  <CAS Number> (3,499)
74431-23-5

$$$$
MKC-3946.cdx
csChFnd80/10101813032D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (3,500)
3500

>  <Formula> (3,500)
C21H20N2O3S

>  <MolWeight> (3,500)
380.4601

>  <Item Name> (3,500)
MKC-3946

>  <Catalog Number> (3,500)
S8286

>  <Synonyms> (3,500)
N/A

>  <Target> (3,500)
IRE1¦Á endoribonuclease

>  <Form> (3,500)
free base

>  <URL> (3,500)
http://www.selleckchem.com/products/mkc-3946.html

>  <CAS Number> (3,500)
1093119-54-0

$$$$
S3649 Ceftazidime.cdx
csChFnd80/10101813032D

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 29 30  1  0  0  0  0
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 31 36  1  0  0  0  0
 31 37  1  0  0  0  0
M  END
>  <Mol_ID> (3,501)
3501

>  <Formula> (3,501)
C22H22N6O7S2

>  <MolWeight> (3,501)
546.57608

>  <Item Name> (3,501)
Ceftazidime

>  <Catalog Number> (3,501)
S3649

>  <Synonyms> (3,501)
N/A

>  <Target> (3,501)
Antifection

>  <Form> (3,501)
inner salt

>  <URL> (3,501)
http://www.selleckchem.com/products/ceftazidime.html

>  <CAS Number> (3,501)
72558-82-8

$$$$
S3662 Pirenzepine (dihydrochloride).cdx
csChFnd80/10101813032D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.3495    7.7811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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 11 14  1  0  0  0  0
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 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,502)
3502

>  <Formula> (3,502)
C19H23Cl2N5O2

>  <MolWeight> (3,502)
424.32422

>  <Item Name> (3,502)
Pirenzepine dihydrochloride

>  <Catalog Number> (3,502)
S3662

>  <Synonyms> (3,502)
N/A

>  <Target> (3,502)
AChR

>  <Form> (3,502)
dihydrochloride

>  <URL> (3,502)
http://www.selleckchem.com/products/pirenzepine-dihydrochlori

>  <CAS Number> (3,502)
29868-97-1

$$$$
S3669 Carmustine.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,503)
3503

>  <Formula> (3,503)
C5H9Cl2N3O2

>  <MolWeight> (3,503)
214.04986

>  <Item Name> (3,503)
Carmustine

>  <Catalog Number> (3,503)
S3669

>  <Synonyms> (3,503)
bis-chloroethylnitrosourea, BCNU, BiCNU|

>  <Target> (3,503)
Others

>  <Form> (3,503)
free base

>  <URL> (3,503)
http://www.selleckchem.com/products/carmustine.html

>  <CAS Number> (3,503)
154-93-8

$$$$
S3737 Cangrelor Tetrasodium.cdx
csChFnd80/10101813032D

 48 50  0  0  0  0  0  0  0  0999 V2000
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    9.7442    6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9562    5.6268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1707    6.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1707    7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9562    8.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5013    5.8964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3251    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9562    9.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4317    0.9250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 36 37  1  0  0  0  0
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 43 44  1  0  0  0  0
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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (3,504)
3504

>  <Formula> (3,504)
C17H21Cl2F3N5Na4O12P3S2

>  <MolWeight> (3,504)
864.2865126

>  <Item Name> (3,504)
Cangrelor Tetrasodium

>  <Catalog Number> (3,504)
S3737

>  <Synonyms> (3,504)
AR-C69931MX

>  <Target> (3,504)
P2Y12 receptor

>  <Form> (3,504)
tetrasodium salt

>  <URL> (3,504)
http://www.selleckchem.com/products/cangrelor-tetrasodium.html

>  <CAS Number> (3,504)
163706-36-3

$$$$
S3721 Bilastine.cdx
csChFnd80/10101813032D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.5408    2.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4626    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7461    2.5864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0722    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,505)
3505

>  <Formula> (3,505)
C28H37N3O3

>  <MolWeight> (3,505)
463.61168

>  <Item Name> (3,505)
Bilastine

>  <Catalog Number> (3,505)
S3721

>  <Synonyms> (3,505)
N/A

>  <Target> (3,505)
H1 receptor

>  <Form> (3,505)
free base

>  <URL> (3,505)
http://www.selleckchem.com/products/bilastine.html

>  <CAS Number> (3,505)
202189-78-4

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,506)
3506

>  <Formula> (3,506)
C12H8ClI

>  <MolWeight> (3,506)
314.54939

>  <Item Name> (3,506)
Diphenyleneiodonium chloride (DPI)

>  <Catalog Number> (3,506)
S8639

>  <Synonyms> (3,506)
N/A

>  <Target> (3,506)
NADPH oxidase

>  <Form> (3,506)
chloride

>  <URL> (3,506)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

>  <CAS Number> (3,506)
4673-26-1

$$$$
LYN-1604.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,507)
3507

>  <Formula> (3,507)
C33H45Cl4N3O2

>  <MolWeight> (3,507)
657.5413

>  <Item Name> (3,507)
LYN-1604

>  <Catalog Number> (3,507)
S8597

>  <Synonyms> (3,507)
N/A

>  <Target> (3,507)
ULK1

>  <Form> (3,507)
dihydrochloride

>  <URL> (3,507)
http://www.selleckchem.com/products/lyn-1604.html

>  <CAS Number> (3,507)
2088939-99-3(free base)

$$$$
GNF-6231.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,508)
3508

>  <Formula> (3,508)
C24H25FN6O2

>  <MolWeight> (3,508)
448.4927032

>  <Item Name> (3,508)
GNF-6231

>  <Catalog Number> (3,508)
S8644

>  <Synonyms> (3,508)
N/A

>  <Target> (3,508)
Porcupine

>  <Form> (3,508)
free base

>  <URL> (3,508)
http://www.selleckchem.com/products/gnf-6231.html

>  <CAS Number> (3,508)
1243245-18-2

$$$$
ACY-738.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,509)
3509

>  <Formula> (3,509)
C14H14N4O2

>  <MolWeight> (3,509)
270.28656

>  <Item Name> (3,509)
ACY-738

>  <Catalog Number> (3,509)
S8648

>  <Synonyms> (3,509)
N/A

>  <Target> (3,509)
HDAC6

>  <Form> (3,509)
free base

>  <URL> (3,509)
http://www.selleckchem.com/products/acy-738.html

>  <CAS Number> (3,509)
1375465-91-0

$$$$
S3642 Cesium chloride.cdx
csChFnd80/10101813032D

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  1  2  1  0  0  0  0
M  END
>  <Mol_ID> (3,510)
3510

>  <Formula> (3,510)
ClCs

>  <MolWeight> (3,510)
168.35845

>  <Item Name> (3,510)
Cesium chloride

>  <Catalog Number> (3,510)
S3642

>  <Synonyms> (3,510)
CsCl

>  <Target> (3,510)
Others

>  <Form> (3,510)
inorganic salt

>  <URL> (3,510)
http://www.selleckchem.com/products/cesium-chloride.html

>  <CAS Number> (3,510)
7647-17-8

$$$$
S3738 Travoprost.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,511)
3511

>  <Formula> (3,511)
C26H35F3O6

>  <MolWeight> (3,511)
500.5477096

>  <Item Name> (3,511)
Travoprost

>  <Catalog Number> (3,511)
S3738

>  <Synonyms> (3,511)
Travoprostum

>  <Target> (3,511)
 Prostaglandin F receptor

>  <Form> (3,511)
free base

>  <URL> (3,511)
http://www.selleckchem.com/products/travoprost.html

>  <CAS Number> (3,511)
157283-68-6

$$$$
S3715 Boldenone Undecylenate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,512)
3512

>  <Formula> (3,512)
C30H44O3

>  <MolWeight> (3,512)
452.66856

>  <Item Name> (3,512)
Boldenone Undecylenate

>  <Catalog Number> (3,512)
S3715

>  <Synonyms> (3,512)
N/A

>  <Target> (3,512)
androgen receptor

>  <Form> (3,512)
free base

>  <URL> (3,512)
http://www.selleckchem.com/products/boldenone-undecylenate.html

>  <CAS Number> (3,512)
13103-34-9

$$$$
EAD1.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,513)
3513

>  <Formula> (3,513)
C26H28Cl2F3N7O2

>  <MolWeight> (3,513)
598.4474296

>  <Item Name> (3,513)
EAD1

>  <Catalog Number> (3,513)
S8576

>  <Synonyms> (3,513)
N/A

>  <Target> (3,513)
Autophagy

>  <Form> (3,513)
Trifluoroacetate

>  <URL> (3,513)
http://www.selleckchem.com/products/ead1.html

>  <CAS Number> (3,513)
1644388-26-0(free base)

$$$$
COTI-2.cdx
csChFnd80/10101813032D

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M  END
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>  <Formula> (3,514)
C19H22N6S

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>  <Item Name> (3,514)
COTI-2

>  <Catalog Number> (3,514)
S8580

>  <Synonyms> (3,514)
N/A

>  <Target> (3,514)
p53 mutants

>  <Form> (3,514)
free base

>  <URL> (3,514)
http://www.selleckchem.com/products/coti-2.html

>  <CAS Number> (3,514)
1039455-84-9

$$$$
S3736 Fondaparinux Sodium.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,515)
3515

>  <Formula> (3,515)
C31H43N3Na10O49S8

>  <MolWeight> (3,515)
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>  <Item Name> (3,515)
Fondaparinux Sodium

>  <Catalog Number> (3,515)
S3736

>  <Synonyms> (3,515)
Natural heparin pentasaccharide Sodium

>  <Target> (3,515)
Factor Xa

>  <Form> (3,515)
decasodium salt

>  <URL> (3,515)
http://www.selleckchem.com/products/fondaparinux-sodium.html

>  <CAS Number> (3,515)
114870-03-0

$$$$
S3748 Acamprosate Calcium.cdx
csChFnd80/10101813032D

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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
A   12
?0.5Ca2+?
M  END
>  <Mol_ID> (3,516)
3516

>  <Formula> (3,516)
C5H10NO4RS-

>  <MolWeight> (3,516)
180.2022

>  <Item Name> (3,516)
Acamprosate CalciuM

>  <Catalog Number> (3,516)
S3748

>  <Synonyms> (3,516)
N-Acetylhomotaurine Calcium, calcium acetylhomotaurinate

>  <Target> (3,516)
GABA Receptor

>  <Form> (3,516)
calcium salt

>  <URL> (3,516)
http://www.selleckchem.com/products/acamprosate-calcium.html

>  <CAS Number> (3,516)
77337-73-6

$$$$
S3749 Calcium gluconate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,517)
3517

>  <Formula> (3,517)
C12H24CaO15

>  <MolWeight> (3,517)
448.38796

>  <Item Name> (3,517)
Calcium gluconate

>  <Catalog Number> (3,517)
S3749

>  <Synonyms> (3,517)
Calcarea gluconica, Calcium gluconate anhydrous, Calcium D-gluconate, Calciofon, Glucobiogen

>  <Target> (3,517)
Others

>  <Form> (3,517)
calcium salt, hydrate

>  <URL> (3,517)
http://www.selleckchem.com/products/calcium-gluconate.html

>  <CAS Number> (3,517)
66905-23-5

$$$$
octocrylene.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,518)
3518

>  <Formula> (3,518)
C24H27NO2

>  <MolWeight> (3,518)
361.47668

>  <Item Name> (3,518)
Octocrylene

>  <Catalog Number> (3,518)
S1750

>  <Synonyms> (3,518)
N/A

>  <Target> (3,518)
Others

>  <Form> (3,518)
free base

>  <URL> (3,518)
http://www.selleckchem.com/products/octocrylene.html

>  <CAS Number> (3,518)
6197-30-4

$$$$
FM-381.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,519)
3519

>  <Formula> (3,519)
C24H24N6O2

>  <MolWeight> (3,519)
428.48636

>  <Item Name> (3,519)
FM-381

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S8541

>  <Synonyms> (3,519)
N/A

>  <Target> (3,519)
JAK3

>  <Form> (3,519)
free base

>  <URL> (3,519)
http://www.selleckchem.com/products/fm-381.html

>  <CAS Number> (3,519)
No

$$$$
CA-4948.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,520)
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>  <Formula> (3,520)
C21H19N7O3

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>  <Item Name> (3,520)
CA-4948

>  <Catalog Number> (3,520)
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>  <Synonyms> (3,520)
N/A

>  <Target> (3,520)
IRAK4

>  <Form> (3,520)
free base

>  <URL> (3,520)
http://www.selleckchem.com/products/ca-4948.html

>  <CAS Number> (3,520)
1801343-74-7

$$$$
PF-06840003.cdx
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IDO-1

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free base

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http://www.selleckchem.com/products/pf-06840003.html

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198474-05-4

$$$$
GSK3326595 (EPZ015938).cdx
csChFnd80/10101813032D

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N/A

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PRMT5

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free base

>  <URL> (3,522)
http://www.selleckchem.com/products/gsk3326595-epz015938.html

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1616392-22-3

$$$$
S3614 Lupeol.cdx
csChFnd80/10101813032D

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(3¦Â,13¦Î)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol

>  <Target> (3,523)
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free base

>  <URL> (3,523)
http://www.selleckchem.com/products/lupeol.html

>  <CAS Number> (3,523)
545-47-1

$$$$
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csChFnd80/10101813032D

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Adenosine Dialdehyde (ADOX)

>  <Catalog Number> (3,524)
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>  <Synonyms> (3,524)
N/A

>  <Target> (3,524)
AdoHcy hydrolase

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free base

>  <URL> (3,524)
http://www.selleckchem.com/products/adenosine-dialdehyde-adox.html

>  <CAS Number> (3,524)
34240-05-6

$$$$
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iCRT3

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S8647

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N/A

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Wnt/¦Â-catenin

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free base

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http://www.selleckchem.com/products/icrt3.html

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901751-47-1

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N/A

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STAT3

>  <Form> (3,526)
free base

>  <URL> (3,526)
http://www.selleckchem.com/products/c188-9.html

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432001-19-9

$$$$
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>  <Formula> (3,527)
C13H10N2O

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3PO

>  <Catalog Number> (3,527)
S7639

>  <Synonyms> (3,527)
3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one

>  <Target> (3,527)
PFKFB3

>  <Form> (3,527)
free base

>  <URL> (3,527)
http://www.selleckchem.com/products/3po.html

>  <CAS Number> (3,527)
18550-98-6

$$$$
S5146 3-Methylpyrazole.cdx
csChFnd80/10101813032D

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>  <Formula> (3,528)
C4H6N2

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3-Methylpyrazole

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S5146

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3-MP

>  <Target> (3,528)
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free base

>  <URL> (3,528)
http://www.selleckchem.com/products/3-methylpyrazole.html

>  <CAS Number> (3,528)
1453-58-3

$$$$
S5147 1,3,5-Trimethylpyrazole.cdx
csChFnd80/10101813032D

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C6H10N2

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1,3,5-Trimethylpyrazole

>  <Catalog Number> (3,529)
S5147

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1,3,5-TMePz; 1,3,5-Trimethyl-1H-pyrazole

>  <Target> (3,529)
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>  <Form> (3,529)
free base

>  <URL> (3,529)
http://www.selleckchem.com/products/1-3-5-trimethylpyrazole.html

>  <CAS Number> (3,529)
1072-91-9

$$$$
S5148 2-Methylenebutyrolactone.cdx
csChFnd80/10101813032D

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3530

>  <Formula> (3,530)
C5H6O2

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Tulipalin A, MBL, ¦Á-methylene-¦Ã-butyrolactone

>  <Target> (3,530)
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free base

>  <URL> (3,530)
http://www.selleckchem.com/products/2-methylenebutyrolactone.html

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547-65-9

$$$$
>  <Mol_ID> (3,531)
3531

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Soybean isoflavones

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N/A

>  <Target> (3,531)
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No

$$$$
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3532

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Gypenoside

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N/A

>  <Target> (3,532)
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 17  1  0  0  0  0
 22 27  1  1  0  0  0
 21 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,533)
3533

>  <Formula> (3,533)
C20H22ClN7O

>  <MolWeight> (3,533)
411.88798

>  <Item Name> (3,533)
BAY 1895344

>  <Catalog Number> (3,533)
S8666

>  <Synonyms> (3,533)
N/A

>  <Target> (3,533)
ATR

>  <Form> (3,533)
hydrochloride

>  <URL> (3,533)
http://www.selleckchem.com/products/bay-1895344.html

>  <CAS Number> (3,533)
1876467-74-1(free base)

$$$$
CBL0137(CBL-0137).cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.0124    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1798    6.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3124    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450    6.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8736    7.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    6.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8144    6.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7512    7.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3186    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9492    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    9.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020   10.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2554    9.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8227   10.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6248    9.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0999    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0999    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6751    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5297    1.9087    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  1  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,534)
3534

>  <Formula> (3,534)
C21H25ClN2O2

>  <MolWeight> (3,534)
372.8884

>  <Item Name> (3,534)
CBL0137(CBL-0137)

>  <Catalog Number> (3,534)
S8483

>  <Synonyms> (3,534)
CBLC137, Curaxin 137

>  <Target> (3,534)
FACT,p53,NF-¦ÊB 

>  <Form> (3,534)
hydrochloride

>  <URL> (3,534)
http://www.selleckchem.com/products/cbl0137-cbl-0137.html

>  <CAS Number> (3,534)
1197397-89-9

$$$$
>  <Mol_ID> (3,535)
3535

>  <Item Name> (3,535)
Tea polyphenol

>  <Catalog Number> (3,535)
S5104

>  <Synonyms> (3,535)
N/A

>  <Target> (3,535)
Others

>  <URL> (3,535)
http://www.selleckchem.com/products/tea-polyphenol.html

>  <CAS Number> (3,535)
84650-60-2

$$$$
S5120 Elemicin.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,536)
3536

>  <Formula> (3,536)
C12H16O3

>  <MolWeight> (3,536)
208.25364

>  <Item Name> (3,536)
Elemicin

>  <Catalog Number> (3,536)
S5120

>  <Synonyms> (3,536)
3,4,5-trimethoxyallylbenzene

>  <Target> (3,536)
Others

>  <Form> (3,536)
free base

>  <URL> (3,536)
http://www.selleckchem.com/products/elemicin.html

>  <CAS Number> (3,536)
487-11-6

$$$$
S5121 Phytol.cdx
csChFnd80/10101813032D

 21 20  0  0  0  0  0  0  0  0999 V2000
   10.9119    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,537)
3537

>  <Formula> (3,537)
C20H40O

>  <MolWeight> (3,537)
296.531

>  <Item Name> (3,537)
Phytol

>  <Catalog Number> (3,537)
S5121

>  <Synonyms> (3,537)
trans-Phytol

>  <Target> (3,537)
PPAR¦Á

>  <Form> (3,537)
free base

>  <URL> (3,537)
http://www.selleckchem.com/products/phytol.html

>  <CAS Number> (3,537)
150-86-7

$$$$
S5139 Methyl Dihydrojasmonate.cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.7580    2.4144    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3263    3.7523    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4566    1.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379    2.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2505    4.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6885    4.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8566    1.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3780    6.0842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0999    5.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5519    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5587    2.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4621    5.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8735    7.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2357    7.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,538)
3538

>  <Formula> (3,538)
C13H22O3

>  <MolWeight> (3,538)
226.31198

>  <Item Name> (3,538)
Methyl Dihydrojasmonate

>  <Catalog Number> (3,538)
S5139

>  <Synonyms> (3,538)
Hedione, Kharismal

>  <Target> (3,538)
Others

>  <Form> (3,538)
free base

>  <URL> (3,538)
http://www.selleckchem.com/products/methyl-dihydrojasmonate.html

>  <CAS Number> (3,538)
24851-98-7

$$$$
S5138 Citral.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  2 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,539)
3539

>  <Formula> (3,539)
C10H16O

>  <MolWeight> (3,539)
152.23344

>  <Item Name> (3,539)
Citral

>  <Catalog Number> (3,539)
S5138

>  <Synonyms> (3,539)
Geranialdehyde

>  <Target> (3,539)
Others

>  <Form> (3,539)
free base

>  <URL> (3,539)
http://www.selleckchem.com/products/citral.html

>  <CAS Number> (3,539)
5392-40-5

$$$$
S3944 Valproic acid.cdx
csChFnd80/10101813032D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.1078    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    4.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,540)
3540

>  <Formula> (3,540)
C8H16O2

>  <MolWeight> (3,540)
144.21144

>  <Item Name> (3,540)
Valproic acid

>  <Catalog Number> (3,540)
S3944

>  <Synonyms> (3,540)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (3,540)
HDAC1

>  <Form> (3,540)
free base

>  <URL> (3,540)
http://www.selleckchem.com/products/valproic-acid.html

>  <CAS Number> (3,540)
99-66-1

$$$$
S3965 Vanillyl Butyl Ether.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.6881    4.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6881    2.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    4.9856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9108    4.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    2.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2032    4.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1140    4.2504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2032    2.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    0.7707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3171    4.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1087    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5045    4.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    4.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9217    4.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,541)
3541

>  <Formula> (3,541)
C12H18O3

>  <MolWeight> (3,541)
210.26952

>  <Item Name> (3,541)
Vanillyl Butyl Ether

>  <Catalog Number> (3,541)
S3965

>  <Synonyms> (3,541)
4-(Butoxymethyl)-2-methoxyphenol

>  <Target> (3,541)
Others

>  <URL> (3,541)
http://www.selleckchem.com/products/vanillyl-butyl-ether.html

>  <CAS Number> (3,541)
82654-98-6

$$$$
S3953 L-Lysine hydrochloride.cdx
csChFnd80/10101813032D

 11  9  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.3746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.4746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9409    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  6  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,542)
3542

>  <Formula> (3,542)
C6H15ClN2O2

>  <MolWeight> (3,542)
182.6485

>  <Item Name> (3,542)
L-Lysine hydrochloride

>  <Catalog Number> (3,542)
S3953

>  <Synonyms> (3,542)
N/A

>  <Target> (3,542)
Others

>  <Form> (3,542)
hydrochloride

>  <URL> (3,542)
http://www.selleckchem.com/products/l-lysine-hydrochloride.html

>  <CAS Number> (3,542)
657-27-2

$$$$
S5140 Cinene.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2116    2.0705    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2116    0.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4231    2.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168    0.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4231    4.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    4.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    6.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,543)
3543

>  <Formula> (3,543)
C10H16

>  <MolWeight> (3,543)
136.23404

>  <Item Name> (3,543)
Cinene

>  <Catalog Number> (3,543)
S5140

>  <Synonyms> (3,543)
Limonene, Dipentene, Cyclohexene, Eulimen|

>  <Target> (3,543)
Others

>  <Form> (3,543)
free base

>  <URL> (3,543)
http://www.selleckchem.com/products/cinene.html

>  <CAS Number> (3,543)
138-86-3

$$$$
S5103 lutein.cdx
csChFnd80/10101813032D

 42 43  0  0  0  0  0  0  0  0999 V2000
   26.6707    2.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8840    2.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6707    4.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4562    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0970    2.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9846    1.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7822    1.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8872    4.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4563    4.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2458    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0970    4.2108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.0297    2.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3171    4.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8201    2.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0297    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6036    2.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3941    2.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1776    2.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9682    2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1776    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7516    2.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5422    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3257    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1163    2.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8997    2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1163    4.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6903    2.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4737    2.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643    2.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0477    2.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643    4.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8383    2.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6218    2.0811    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4077    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6218    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3041    3.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5038    3.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4077    0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8383    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  1  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 34 38  1  0  0  0  0
 35 39  2  0  0  0  0
 35 40  1  0  0  0  0
 36 41  1  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  6  0  0  0
  8  3  1  0  0  0  0
M  END
>  <Mol_ID> (3,544)
3544

>  <Formula> (3,544)
C40H56O2

>  <MolWeight> (3,544)
568.87144

>  <Item Name> (3,544)
lutein

>  <Catalog Number> (3,544)
S5103

>  <Synonyms> (3,544)
Xanthophyll, Xantofyl

>  <Target> (3,544)
Others

>  <Form> (3,544)
free base

>  <URL> (3,544)
http://www.selleckchem.com/products/iutein.html

>  <CAS Number> (3,544)
127-40-2

$$$$
S5119 Olivetol.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0401    3.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2616    4.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8277    4.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4748    3.4915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141    3.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4749    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    4.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4204    4.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1802    3.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,545)
3545

>  <Formula> (3,545)
C11H16O2

>  <MolWeight> (3,545)
180.24354

>  <Item Name> (3,545)
Olivetol

>  <Catalog Number> (3,545)
S5119

>  <Synonyms> (3,545)
5-Pentylresorcinol, 5-n-Amylresorcinol

>  <Target> (3,545)
CB1,CB2,CYP1A1,CYP2C19

>  <Form> (3,545)
free base

>  <URL> (3,545)
http://www.selleckchem.com/products/olivetol.html

>  <CAS Number> (3,545)
500-66-3

$$$$
S3761 Eucalyptol.cdx
csChFnd80/10101813032D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4046    2.5647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    2.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    4.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9980    0.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0422    3.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  5  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,546)
3546

>  <Formula> (3,546)
C10H18O

>  <MolWeight> (3,546)
154.24932

>  <Item Name> (3,546)
Eucalyptol

>  <Catalog Number> (3,546)
S3761

>  <Synonyms> (3,546)
1,8-cineol; 1,8-cineole|cajeputol; 1,8-epoxy-p-menthane; 1,8-oxido-p-menthane; cineol; cineole

>  <Target> (3,546)
Others

>  <Form> (3,546)
free base

>  <URL> (3,546)
http://www.selleckchem.com/products/eucalyptol.html

>  <CAS Number> (3,546)
470-82-6

$$$$
S3756 Methyl salicylate.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4046    2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6037    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1786    2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046    4.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5868    0.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8161    2.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1702    0.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1956    4.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    4.9194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,547)
3547

>  <Formula> (3,547)
C8H8O3

>  <MolWeight> (3,547)
152.14732

>  <Item Name> (3,547)
Methyl salicylate

>  <Catalog Number> (3,547)
S3756

>  <Synonyms> (3,547)
2-Carbomethoxyphenol, Betula oil, Gaultheria oil, Methyl 2-hydroxybenzoate, Natural wintergreen oil

>  <Target> (3,547)
TRPA1,TRPV1

>  <Form> (3,547)
free base

>  <URL> (3,547)
http://www.selleckchem.com/products/methyl-salicylate.html

>  <CAS Number> (3,547)
119-36-8

$$$$
S3763 Cinnamaldehyde.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,548)
3548

>  <Formula> (3,548)
C9H8O

>  <MolWeight> (3,548)
132.15922

>  <Item Name> (3,548)
Cinnamaldehyde

>  <Catalog Number> (3,548)
S3763

>  <Synonyms> (3,548)
N/A

>  <Target> (3,548)
TRPA1

>  <Form> (3,548)
free base

>  <URL> (3,548)
http://www.selleckchem.com/products/cinnamaldehyde.html

>  <CAS Number> (3,548)
14371-10-9

$$$$
S5173 2'-Hydroxy-4'-methylacetophenone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,549)
3549

>  <Formula> (3,549)
C9H10O2

>  <MolWeight> (3,549)
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>  <Item Name> (3,549)
2'-Hydroxy-4'-methylacetophenone

>  <Catalog Number> (3,549)
S5173

>  <Synonyms> (3,549)
N/A

>  <Target> (3,549)
Others

>  <Form> (3,549)
free base

>  <URL> (3,549)
http://www.selleckchem.com/products/2-hydroxy-4-methylacetophenone.html

>  <CAS Number> (3,549)
6921-64-8

$$$$
S3821 Nuciferine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,550)
3550

>  <Formula> (3,550)
C19H21NO2

>  <MolWeight> (3,550)
295.37554

>  <Item Name> (3,550)
Nuciferine

>  <Catalog Number> (3,550)
S3821

>  <Synonyms> (3,550)
Sanjoinine E, (-)-Nuciferine, VLT 049|

>  <Target> (3,550)
Others

>  <Form> (3,550)
free base

>  <URL> (3,550)
http://www.selleckchem.com/products/nuciferine.html

>  <CAS Number> (3,550)
475-83-2

$$$$
S3973 L-SelenoMethionine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,551)
3551

>  <Formula> (3,551)
C5H11NO2Se

>  <MolWeight> (3,551)
196.10634

>  <Item Name> (3,551)
L-SelenoMethionine

>  <Catalog Number> (3,551)
S3973

>  <Synonyms> (3,551)
N/A

>  <Target> (3,551)
ROS

>  <Form> (3,551)
free base

>  <URL> (3,551)
http://www.selleckchem.com/products/l-selenomethionine.html

>  <CAS Number> (3,551)
3211-76-5

$$$$
ONC212.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,552)
3552

>  <Formula> (3,552)
C24H23F3N4O

>  <MolWeight> (3,552)
440.4608296

>  <Item Name> (3,552)
ONC212

>  <Catalog Number> (3,552)
S8673

>  <Synonyms> (3,552)
N/A

>  <Target> (3,552)
Others

>  <Form> (3,552)
free base

>  <URL> (3,552)
http://www.selleckchem.com/products/onc212.html

>  <CAS Number> (3,552)
1807861-48-8

$$$$
S3770 Sodium Aescinate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,553)
3553

>  <Formula> (3,553)
C54H83NaO23

>  <MolWeight> (3,553)
1123.21279

>  <Item Name> (3,553)
Sodium Aescinate

>  <Catalog Number> (3,553)
S3770

>  <Synonyms> (3,553)
Escin sodium salt

>  <Target> (3,553)
Others

>  <Form> (3,553)
sodium salt

>  <URL> (3,553)
http://www.selleckchem.com/products/sodium-aescinate.html

>  <CAS Number> (3,553)
20977-05-3

$$$$
S5101 Tabersonine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,554)
3554

>  <Formula> (3,554)
C21H25ClN2O2

>  <MolWeight> (3,554)
372.8884

>  <Item Name> (3,554)
Tabersonine hydrochloride

>  <Catalog Number> (3,554)
S5101

>  <Synonyms> (3,554)
N/A

>  <Target> (3,554)
A¦Â(1-42) aggregation

>  <Form> (3,554)
hydrochloride

>  <URL> (3,554)
http://www.selleckchem.com/products/tabersonine-hydrochloride.html

>  <CAS Number> (3,554)
29479-00-3

$$$$
S3788 Carvacrol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,555)
3555

>  <Formula> (3,555)
C10H14O

>  <MolWeight> (3,555)
150.21756

>  <Item Name> (3,555)
Carvacrol

>  <Catalog Number> (3,555)
S3788

>  <Synonyms> (3,555)
cymophenol

>  <Target> (3,555)
Others

>  <Form> (3,555)
free base

>  <URL> (3,555)
http://www.selleckchem.com/products/carvacrol.html

>  <CAS Number> (3,555)
499-75-2

$$$$
S3779 cis-Anethol.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8516    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0649    2.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4898    2.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (3,556)
3556

>  <Formula> (3,556)
C10H12O

>  <MolWeight> (3,556)
148.20168

>  <Item Name> (3,556)
cis-Anethole

>  <Catalog Number> (3,556)
S3779

>  <Synonyms> (3,556)
(Z)-Anethole, Cis-p-Propenylanisole, Cis-p-Anethole

>  <Target> (3,556)
Others

>  <Form> (3,556)
free base

>  <URL> (3,556)
http://www.selleckchem.com/products/cis-anethole.html

>  <CAS Number> (3,556)
104-46-1

$$$$
S3752 isoleucine.cdx
csChFnd80/10101813032D

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  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,557)
3557

>  <Formula> (3,557)
C6H13NO2

>  <MolWeight> (3,557)
131.17292

>  <Item Name> (3,557)
isoleucine

>  <Catalog Number> (3,557)
S3752

>  <Synonyms> (3,557)
Ile

>  <Target> (3,557)
Others

>  <Form> (3,557)
free base

>  <URL> (3,557)
http://www.selleckchem.com/products/isoleucine.html

>  <CAS Number> (3,557)
73-32-5

$$$$
S3753 L-Leucine.cdx
csChFnd80/10101813032D

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  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,558)
3558

>  <Formula> (3,558)
C6H13NO2

>  <MolWeight> (3,558)
131.17292

>  <Item Name> (3,558)
L-Leucine

>  <Catalog Number> (3,558)
S3753

>  <Synonyms> (3,558)
(S)-Leucine, Leu

>  <Target> (3,558)
Others

>  <Form> (3,558)
free base

>  <URL> (3,558)
http://www.selleckchem.com/products/l-leucine.html

>  <CAS Number> (3,558)
61-90-5

$$$$
S3853 Perillyl alcohol.cdx
csChFnd80/10101813032D

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    0.0000    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8615    3.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0718    4.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2842    3.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,559)
3559

>  <Formula> (3,559)
C10H16O

>  <MolWeight> (3,559)
152.23344

>  <Item Name> (3,559)
Perillyl alcohol

>  <Catalog Number> (3,559)
S3853

>  <Synonyms> (3,559)
Perilla alcohol, Isocarveol

>  <Target> (3,559)
Others

>  <Form> (3,559)
free base

>  <URL> (3,559)
http://www.selleckchem.com/products/perillyl-alcohol.html

>  <CAS Number> (3,559)
536-59-4

$$$$
S3860 Allicin.cdx
csChFnd80/10101813032D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.7322    0.8980    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    4.8638    0.1715    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5105    0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7322    2.2836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1432    0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2619    0.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3278    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5877    0.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,560)
3560

>  <Formula> (3,560)
C6H10OS2

>  <MolWeight> (3,560)
162.273

>  <Item Name> (3,560)
Allicin

>  <Catalog Number> (3,560)
S3860

>  <Synonyms> (3,560)
diallyl thiosulfinate

>  <Target> (3,560)
Others

>  <Form> (3,560)
free base

>  <URL> (3,560)
http://www.selleckchem.com/products/allicin.html

>  <CAS Number> (3,560)
539-86-6

$$$$
S3871 Muscone.cdx
csChFnd80/10101813032D

 17 17  0  0  0  0  0  0  0  0999 V2000
    5.2250    2.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1389    3.1270    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4454    2.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7973    2.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4517    4.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6659    2.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4454    4.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9938    3.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6659    0.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5951    3.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4756    0.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2552    0.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7867    1.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1523    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023    1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7839    0.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,561)
3561

>  <Formula> (3,561)
C16H30O

>  <MolWeight> (3,561)
238.4088

>  <Item Name> (3,561)
Muscone

>  <Catalog Number> (3,561)
S3871

>  <Synonyms> (3,561)
3-Methylcyclopentadecanone, Methylexaltone

>  <Target> (3,561)
Immunology & Inflammation

>  <Form> (3,561)
free base

>  <URL> (3,561)
http://www.selleckchem.com/products/muscone.html

>  <CAS Number> (3,561)
541-91-3

$$$$
S3762 methylnonylketone.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,562)
3562

>  <Formula> (3,562)
C11H22O

>  <MolWeight> (3,562)
170.29178

>  <Item Name> (3,562)
Methylnonylketone

>  <Catalog Number> (3,562)
S3762

>  <Synonyms> (3,562)
2-Undecanone, IBI-246

>  <Target> (3,562)
Others

>  <Form> (3,562)
free base

>  <URL> (3,562)
http://www.selleckchem.com/products/methylnonylketone.html

>  <CAS Number> (3,562)
112-12-9

$$$$
S5105 Proanthocyanidins.cdx
csChFnd80/10101813032D

 43 48  0  0  0  0  0  0  0  0999 V2000
    6.0914    6.7401    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4396    7.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    5.4534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608    6.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0914    8.1290    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4455    6.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8327    8.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8006    4.3250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6406    6.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608    8.8388    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3120    8.8388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7680    6.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1553    8.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3775    3.0381    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4117    4.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6406    8.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4457    6.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8608   10.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1561    7.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7177    5.4381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7664    2.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5043    1.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5741    3.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4457    8.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202    6.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5041    8.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3126    1.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5682    4.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1258    2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1905    3.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202    8.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4457   10.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7017    1.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9927    3.8398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2882    0.9703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3529    2.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6390    4.8356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5391    2.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2479    0.1329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8993    1.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9534    2.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0619    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 19  2  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  2  0  0  0  0
 19 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 28  2  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
 23 29  2  0  0  0  0
 24 31  2  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
 25 31  1  0  0  0  0
 27 34  2  0  0  0  0
 28 35  1  0  0  0  0
 29 36  1  0  0  0  0
 30 37  2  0  0  0  0
 30 38  1  0  0  0  0
 34 39  1  0  0  0  0
 34 40  1  0  0  0  0
 35 39  2  0  0  0  0
 36 41  2  0  0  0  0
 37 41  1  0  0  0  0
 39 42  1  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <Mol_ID> (3,563)
3563

>  <Formula> (3,563)
C30H26O13

>  <MolWeight> (3,563)
594.51964

>  <Item Name> (3,563)
Proanthocyanidins

>  <Catalog Number> (3,563)
S5105

>  <Synonyms> (3,563)
condensed tannins

>  <Target> (3,563)
others

>  <Form> (3,563)
free base

>  <URL> (3,563)
http://www.selleckchem.com/products/proanthocyanidins.html

>  <CAS Number> (3,563)
20347-71-1

$$$$
S3893 Bornyl acetate.cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4135    2.8407    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0127    1.9180    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6825    4.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4957    2.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581    3.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    1.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3335    2.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648    2.1206    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6052    5.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815    5.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3200    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6676    1.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9590    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5992    0.6804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  1  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,564)
3564

>  <Formula> (3,564)
C12H20O2

>  <MolWeight> (3,564)
196.286

>  <Item Name> (3,564)
Bornyl acetate

>  <Catalog Number> (3,564)
S3893

>  <Synonyms> (3,564)
 Isobornyl acetate, Bornyl acetic ether, 2-Camphanol acetate

>  <Target> (3,564)
Immunology & Inflammation

>  <Form> (3,564)
free base

>  <URL> (3,564)
http://www.selleckchem.com/products/bornyl-acetate.html

>  <CAS Number> (3,564)
76-49-3

$$$$
S3963 DL-Glutamine.cdx
csChFnd80/10101813032D

 10  9  0  0  0  0  0  0  0  0999 V2000
    6.0618    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6372    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0618    3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,565)
3565

>  <Formula> (3,565)
C5H10N2O3

>  <MolWeight> (3,565)
146.1445

>  <Item Name> (3,565)
DL-Glutamine

>  <Catalog Number> (3,565)
S3963

>  <Synonyms> (3,565)
Glutamin, 2-amino-4-carbamoylbutanoic acid

>  <Target> (3,565)
Others

>  <Form> (3,565)
free base

>  <URL> (3,565)
http://www.selleckchem.com/products/dl-glutamine.html

>  <CAS Number> (3,565)
6899-04-3

$$$$
S3891 Vincamine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,566)
3566

>  <Formula> (3,566)
C21H26N2O3

>  <MolWeight> (3,566)
354.44274

>  <Item Name> (3,566)
Vincamine

>  <Catalog Number> (3,566)
S3891

>  <Synonyms> (3,566)
Angiopac, Devincan, Equipur, Minorin, Novicet, Oxybral, Perval, Sostenil, Tripervan

>  <Target> (3,566)
Others

>  <Form> (3,566)
free base

>  <URL> (3,566)
http://www.selleckchem.com/products/vincamine.html

>  <CAS Number> (3,566)
1617-90-9

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,567)
3567

>  <Formula> (3,567)
C17H15N9

>  <MolWeight> (3,567)
345.3613

>  <Item Name> (3,567)
Savolitinib(AZD6094, HMPL-504)

>  <Catalog Number> (3,567)
S7674

>  <Synonyms> (3,567)
Volitinib

>  <Target> (3,567)
MET

>  <Form> (3,567)
free base

>  <URL> (3,567)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

>  <CAS Number> (3,567)
1313725-88-0

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,568)
3568

>  <Formula> (3,568)
C14H27NaO5S

>  <MolWeight> (3,568)
330.41595

>  <Item Name> (3,568)
Sodium Houttuyfonate

>  <Catalog Number> (3,568)
S3801

>  <Synonyms> (3,568)
N/A

>  <Target> (3,568)
Antifection

>  <Form> (3,568)
sodium salt

>  <URL> (3,568)
http://www.selleckchem.com/products/sodium-houttuyfonate.html

>  <CAS Number> (3,568)
1847-58-1

$$$$
S3810 Scutellarin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,569)
3569

>  <Formula> (3,569)
C21H18O12

>  <MolWeight> (3,569)
462.36042

>  <Item Name> (3,569)
Breviscapinun

>  <Catalog Number> (3,569)
S5152

>  <Synonyms> (3,569)
Scutellarin, Scutellarein-7-glucuronide

>  <Target> (3,569)
Others

>  <Form> (3,569)
free base

>  <URL> (3,569)
http://selleckchem.com/products/breviscapinun.html

>  <CAS Number> (3,569)
27740-01-8

$$$$
S3813 Bakuchiol.cdx
csChFnd80/10101813032D

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  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  1  0  0  0
  1 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,570)
3570

>  <Formula> (3,570)
C18H24O

>  <MolWeight> (3,570)
256.38256

>  <Item Name> (3,570)
Bakuchiol

>  <Catalog Number> (3,570)
S3813

>  <Synonyms> (3,570)
(S)-(+)-Bakuchiol

>  <Target> (3,570)
Immunology & Inflammation related

>  <Form> (3,570)
free base

>  <URL> (3,570)
http://www.selleckchem.com/products/bakuchiol.html

>  <CAS Number> (3,570)
10309-37-2

$$$$
Tat-beclin 1 (Tat-BECN1).cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,571)
3571

>  <Formula> (3,571)
C164H251N57O45

>  <MolWeight> (3,571)
3741.10264

>  <Item Name> (3,571)
Tat-beclin 1 (Tat-BECN1)

>  <Catalog Number> (3,571)
S8595

>  <Synonyms> (3,571)
N/A

>  <Target> (3,571)
Beclin 1

>  <Form> (3,571)
free base

>  <URL> (3,571)
http://www.selleckchem.com/products/tat-beclin-1-tat-becn1.html

>  <CAS Number> (3,571)
No

$$$$
WT161.cdx
csChFnd80/10101813032D

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free base

>  <URL> (3,576)
http://www.selleckchem.com/products/l-citrulline.html

>  <CAS Number> (3,576)
372-75-8

$$$$
H3B-6527.cdx
csChFnd80/10101813032D

 43 46  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  9  1  0  0  0  0
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  7 14  1  0  0  0  0
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 18  7  1  0  0  0  0
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 19 20  1  0  0  0  0
  9 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
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 34 35  2  0  0  0  0
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 36 40  1  0  0  0  0
 34 41  1  0  0  0  0
 41 42  1  0  0  0  0
 40 43  1  0  0  0  0
M  END
>  <Mol_ID> (3,577)
3577

>  <Formula> (3,577)
C29H34Cl2N8O4

>  <MolWeight> (3,577)
629.53746

>  <Item Name> (3,577)
H3B-6527

>  <Catalog Number> (3,577)
S8675

>  <Synonyms> (3,577)
N/A

>  <Target> (3,577)
FGFR4

>  <Form> (3,577)
free base

>  <URL> (3,577)
http://www.selleckchem.com/products/h3b-6527.html

>  <CAS Number> (3,577)
1702259-66-2

$$$$
S3806 Angelic anhydride.cdx
csChFnd80/10101813032D

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    2.4284    2.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0689    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2657    3.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,578)
3578

>  <Formula> (3,578)
C10H14O3

>  <MolWeight> (3,578)
182.21636

>  <Item Name> (3,578)
Angelic anhydride

>  <Catalog Number> (3,578)
S3806

>  <Synonyms> (3,578)
2-Methylisocrotonic Anhydride, (Z)-2-Methylbut-2-enoic anhydride

>  <Target> (3,578)
Others

>  <Form> (3,578)
free base

>  <URL> (3,578)
http://www.selleckchem.com/products/angelic-anhydride.html

>  <CAS Number> (3,578)
94487-74-8

$$$$
S3681.cdx
csChFnd80/10101813032D

 34 35  0  0  0  0  0  0  0  0999 V2000
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    6.1163    3.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3307    1.4168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9116    1.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9116    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3307    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5354    2.1301    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.1595    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3835    0.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6314    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8651    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0698    2.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0698    0.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  1  0  0  0
  7 14  1  6  0  0  0
  7 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 10  2  0  0  0  0
 10 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (3,579)
3579

>  <Formula> (3,579)
C31H52O3

>  <MolWeight> (3,579)
472.74278

>  <Item Name> (3,579)
Vitamin E Acetate

>  <Catalog Number> (3,579)
S3681

>  <Synonyms> (3,579)
Tocopherol acetate

>  <Target> (3,579)
Others

>  <Form> (3,579)
free base

>  <URL> (3,579)
http://www.selleckchem.com/products/vitamin-e-acetate.html

>  <CAS Number> (3,579)
58-95-7

$$$$
S4810 Glycylglycine.cdx
csChFnd80/10101813032D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,580)
3580

>  <Formula> (3,580)
C4H8N2O3

>  <MolWeight> (3,580)
132.11792

>  <Item Name> (3,580)
Glycylglycine

>  <Catalog Number> (3,580)
S4810

>  <Synonyms> (3,580)
Diglycine, Diglycocoll, Glycine dipeptide, N-Glycylglycine

>  <Target> (3,580)
Others

>  <Form> (3,580)
free base

>  <URL> (3,580)
http://www.selleckchem.com/products/glycylglycine.html

>  <CAS Number> (3,580)
556-50-3

$$$$
S4811 VitaMin U.cdx
csChFnd80/10101813032D

 11  9  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2923    0.3690    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,581)
3581

>  <Formula> (3,581)
C6H14ClNO2S

>  <MolWeight> (3,581)
199.69886

>  <Item Name> (3,581)
VitaMin U

>  <Catalog Number> (3,581)
S4811

>  <Synonyms> (3,581)
Methylmethioninesulfonium Chloride, Cabagin-U, Smethylmethionine

>  <Target> (3,581)
Others

>  <Form> (3,581)
chloride

>  <URL> (3,581)
http://www.selleckchem.com/products/vitamin-u.html

>  <CAS Number> (3,581)
3493-12-7

$$$$
S5107 Flavin mononucleotide.cdx
csChFnd80/10101813032D

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    9.2604    5.5987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0598    6.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4846    6.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2604    4.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0716    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8415    5.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4964    7.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6911    5.5782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524    3.5013    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2899    8.3986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8651    8.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6321    6.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7206    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9064    6.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524    2.0987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8422    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6498    7.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197    5.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9212    7.6679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7206    9.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1189    5.5629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8411    1.3994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2660    1.3981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    8.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6281    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8411    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4159    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2034    2.0999    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.9033    3.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9909    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033    0.8874    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9115    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  1  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 21  2  0  0  0  0
 14 19  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  6  0  0  0
 17 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (3,582)
3582

>  <Formula> (3,582)
C17H20N4NaO9P

>  <MolWeight> (3,582)
478.325631

>  <Item Name> (3,582)
Flavin mononucleotide

>  <Catalog Number> (3,582)
S5107

>  <Synonyms> (3,582)
riboflavin-5'-phosphate, FMN

>  <Target> (3,582)
Others

>  <Form> (3,582)
sodium salt

>  <URL> (3,582)
http://www.selleckchem.com/products/flavin-mononucleotide.html

>  <CAS Number> (3,582)
130-40-5

$$$$
S5108 Tylosin.cdx
csChFnd80/10101813032D

 64 67  0  0  0  0  0  0  0  0999 V2000
   16.1347    8.0947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3658    6.4042    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.5464    7.8037    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.4237    8.6384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4319   11.8722    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6372    9.7559    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.9551    6.7111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5271    9.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4319    9.0672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3108    4.1633    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.3003   11.0902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.1381   13.2066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.6847    9.0529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330   15.3516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6014   10.0446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567   11.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7753   13.8738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.3082    0.9365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3218    6.9580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9042    9.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5271   11.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8935    4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3597    1.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0475    6.9796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886   11.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3576   13.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0691   11.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2053   13.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0404    5.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  1  8  1  1  0  0  0
 10  1  1  0  0  0  0
  2 19  1  0  0  0  0
  2 25  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 37  1  1  0  0  0
  4 42  1  6  0  0  0
  5  7  1  0  0  0  0
  6  5  1  0  0  0  0
  5 43  1  1  0  0  0
  6 45  1  1  0  0  0
  6 13  1  0  0  0  0
  7 36  1  6  0  0  0
 12  7  1  0  0  0  0
 19  8  1  0  0  0  0
  9 10  1  6  0  0  0
 15  9  1  0  0  0  0
 29  9  1  0  0  0  0
 11 17  1  0  0  0  0
 11 46  1  6  0  0  0
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 11 21  1  0  0  0  0
 23 12  1  0  0  0  0
 13 23  1  0  0  0  0
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 14 25  1  6  0  0  0
 17 14  1  0  0  0  0
 18 14  1  0  0  0  0
 24 15  1  0  0  0  0
 15 52  1  6  0  0  0
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 20 16  1  0  0  0  0
 40 16  2  0  0  0  0
 27 18  1  0  0  0  0
 19 54  1  1  0  0  0
 32 20  1  0  0  0  0
 21 27  1  0  0  0  0
 21 48  1  6  0  0  0
 22 24  1  0  0  0  0
 23 55  1  6  0  0  0
 24 49  1  6  0  0  0
 26 32  1  0  0  0  0
 26 39  1  1  0  0  0
 26 28  1  0  0  0  0
 27 56  1  1  0  0  0
 28 33  2  0  0  0  0
 34 29  1  0  0  0  0
 29 53  1  6  0  0  0
 30 31  1  0  0  0  0
 35 30  2  0  0  0  0
 31 38  1  0  0  0  0
 41 31  2  0  0  0  0
 32 57  1  6  0  0  0
 33 35  1  0  0  0  0
 58 33  1  0  0  0  0
 38 34  1  0  0  0  0
 36 39  1  0  0  0  0
 59 37  1  0  0  0  0
 60 37  1  0  0  0  0
 38 61  1  6  0  0  0
 62 43  1  0  0  0  0
 44 50  2  0  0  0  0
 63 45  1  0  0  0  0
 50 53  1  0  0  0  0
 64 57  1  0  0  0  0
M  END
>  <Mol_ID> (3,583)
3583

>  <Formula> (3,583)
C46H77NO17

>  <MolWeight> (3,583)
916.10008

>  <Item Name> (3,583)
Tylosin

>  <Catalog Number> (3,583)
S5108

>  <Synonyms> (3,583)
Fradizine, Tylocine, Tylosine, Tylosin A

>  <Target> (3,583)
Antifection

>  <Form> (3,583)
free base

>  <URL> (3,583)
http://www.selleckchem.com/products/tylosin.html

>  <CAS Number> (3,583)
1401-69-0

$$$$
S3861 Sodium Demethylcantharidate.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5124    2.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,584)
3584

>  <Formula> (3,584)
C8H9NaO5

>  <MolWeight> (3,584)
208.14383

>  <Item Name> (3,584)
Sodium Demethylcantharidate

>  <Catalog Number> (3,584)
S3861

>  <Synonyms> (3,584)
Sodium norcantharidin

>  <Target> (3,584)
Others

>  <Form> (3,584)
sodium salt

>  <URL> (3,584)
http://www.selleckchem.com/products/sodium-demethylcantharidate.html

>  <CAS Number> (3,584)
13114-29-9

$$$$
S3852 L-Theanine.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,585)
3585

>  <Formula> (3,585)
C7H14N2O3

>  <MolWeight> (3,585)
174.19766

>  <Item Name> (3,585)
L-Theanine

>  <Catalog Number> (3,585)
S3852

>  <Synonyms> (3,585)
N/A

>  <Target> (3,585)
Others

>  <Form> (3,585)
free base

>  <URL> (3,585)
http://www.selleckchem.com/products/l-theanine.html

>  <CAS Number> (3,585)
3081-61-6

$$$$
S5143 Citropten.cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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>  <Mol_ID> (3,586)
3586

>  <Formula> (3,586)
C11H10O4

>  <MolWeight> (3,586)
206.1947

>  <Item Name> (3,586)
Citropten

>  <Catalog Number> (3,586)
S5143

>  <Synonyms> (3,586)
 5,7-Dimethoxycoumarin, Citroptene, Limettin, Limetin

>  <Target> (3,586)
Others

>  <Form> (3,586)
free base

>  <URL> (3,586)
http://www.selleckchem.com/products/citropten.html

>  <CAS Number> (3,586)
487-06-9

$$$$
S5144 Neferine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,587)
3587

>  <Formula> (3,587)
C38H44N2O6

>  <MolWeight> (3,587)
624.76576

>  <Item Name> (3,587)
Neferine

>  <Catalog Number> (3,587)
S5144

>  <Synonyms> (3,587)
(R)-1,2-Dimethoxyaporphine

>  <Target> (3,587)
Others

>  <Form> (3,587)
free base

>  <URL> (3,587)
http://www.selleckchem.com/products/neferine.html

>  <CAS Number> (3,587)
2292-16-2

$$$$
S5142 D-(+)-Melezitose.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,588)
3588

>  <Formula> (3,588)
C18H32O16

>  <MolWeight> (3,588)
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>  <Item Name> (3,588)
D-(+)-Melezitose

>  <Catalog Number> (3,588)
S5142

>  <Synonyms> (3,588)
D-Melezitose, (+)-Melezitose, D-melicitose, (+)-melicitose, melicitose

>  <Target> (3,588)
Others

>  <Form> (3,588)
free base

>  <URL> (3,588)
http://www.selleckchem.com/products/d-melezitose.html

>  <CAS Number> (3,588)
597-12-6

$$$$
S5145 Protoporphyrin IX.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,589)
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>  <Formula> (3,589)
C34H34N4O4

>  <MolWeight> (3,589)
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>  <Item Name> (3,589)
Protoporphyrin IX

>  <Catalog Number> (3,589)
S5145

>  <Synonyms> (3,589)
PPIX

>  <Target> (3,589)
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>  <Form> (3,589)
free base

>  <URL> (3,589)
http://www.selleckchem.com/products/protoporphyrin-ix.html

>  <CAS Number> (3,589)
553-12-8

$$$$
S5141 Pyrithioxin.cdx
csChFnd80/10101813032D

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    3.6398    5.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2199    4.1653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0696    4.1826    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7094    3.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7144    2.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9194    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9294    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5045    1.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1343    3.5043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1393    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9344    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2896    2.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3542    1.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
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 18 22  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,590)
3590

>  <Formula> (3,590)
C16H20N2O4S2

>  <MolWeight> (3,590)
368.471

>  <Item Name> (3,590)
Pyrithioxin

>  <Catalog Number> (3,590)
S5141

>  <Synonyms> (3,590)
Bonifen, Encefabol, Pyritinol, Vitamin B6 disulfide

>  <Target> (3,590)
Others

>  <Form> (3,590)
free base

>  <URL> (3,590)
http://www.selleckchem.com/products/pyrithioxin.html

>  <CAS Number> (3,590)
1098-97-1

$$$$
S5118 (+)-Abscisic acid.cdx
csChFnd80/10101813032D

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    8.4845    0.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4845    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    2.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    4.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0596    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8472    2.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    2.1044    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4223    2.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5213    3.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2106    2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3211    3.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
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 10 15  1  0  0  0  0
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  1 17  2  0  0  0  0
  1 18  1  0  0  0  0
  7 19  1  6  0  0  0
M  END
>  <Mol_ID> (3,591)
3591

>  <Formula> (3,591)
C15H20O4

>  <MolWeight> (3,591)
264.3169

>  <Item Name> (3,591)
(+)-Abscisic acid

>  <Catalog Number> (3,591)
S5118

>  <Synonyms> (3,591)
Dormin, (+)-ABA

>  <Target> (3,591)
Others

>  <Form> (3,591)
free base

>  <URL> (3,591)
http://www.selleckchem.com/products/abscisic-acid.html

>  <CAS Number> (3,591)
21293-29-8

$$$$
S5157 Thymol.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,592)
3592

>  <Formula> (3,592)
C10H14O

>  <MolWeight> (3,592)
150.21756

>  <Item Name> (3,592)
Thymol

>  <Catalog Number> (3,592)
S5157

>  <Synonyms> (3,592)
2-isopropyl-5-methylphenol, IPMP

>  <Target> (3,592)
Others

>  <Form> (3,592)
free base

>  <URL> (3,592)
http://www.selleckchem.com/products/thymol.html

>  <CAS Number> (3,592)
89-83-8

$$$$
S5169 2,6-Dihydroxyanthraquinone.cdx
csChFnd80/10101813032D

 18 20  0  0  0  0  0  0  0  0999 V2000
    7.2709    4.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4843    3.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4861    2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2096    3.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211    4.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6345    3.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8442    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0594    3.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6958    4.2064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  5 16  1  0  0  0  0
  1 16  2  0  0  0  0
 10 17  1  0  0  0  0
  2 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,593)
3593

>  <Formula> (3,593)
C14H8O4

>  <MolWeight> (3,593)
240.21092

>  <Item Name> (3,593)
2,6-Dihydroxyanthraquinone

>  <Catalog Number> (3,593)
S5169

>  <Synonyms> (3,593)
Anthraflavic acid, Anthraflavin

>  <Target> (3,593)
Others

>  <Form> (3,593)
free base

>  <URL> (3,593)
http://www.selleckchem.com/products/2-6-dihydroxyanthraquinone.html

>  <CAS Number> (3,593)
84-60-6

$$$$
S5161 1-Octacosanol.cdx
csChFnd80/10101813032D

 29 28  0  0  0  0  0  0  0  0999 V2000
   17.3330    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1427    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8391    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8963    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0712    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6505    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3035    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4184    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1863    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7814    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9405    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0136    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2734    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4485    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5192    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2022    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7515    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9835    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7378    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5057    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   34.7078    0.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,594)
3594

>  <Formula> (3,594)
C28H58O

>  <MolWeight> (3,594)
410.75952

>  <Item Name> (3,594)
1-Octacosanol

>  <Catalog Number> (3,594)
S5161

>  <Synonyms> (3,594)
n-Octacosanol, Octacosyl alcohol, Octanosol, Montanyl alcohol, Cluytyl alcohol

>  <Target> (3,594)
Others

>  <Form> (3,594)
free base

>  <URL> (3,594)
http://www.selleckchem.com/products/1-octacosanol.html

>  <CAS Number> (3,594)
557-61-9

$$$$
Takinib.cdx
csChFnd80/10101813032D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    3.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.9686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    4.8360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    2.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    7.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792    3.6235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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C18H18N4O2

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>  <Item Name> (3,595)
Takinib

>  <Catalog Number> (3,595)
S8663

>  <Synonyms> (3,595)
EDHS-206

>  <Target> (3,595)
TAK1,IRAK4,IRAK1

>  <Form> (3,595)
free base

>  <URL> (3,595)
http://www.selleckchem.com/products/takinib.html

>  <CAS Number> (3,595)
1111556-37-6

$$$$
CA3.cdx
csChFnd80/10101813032D

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3596

>  <Formula> (3,596)
C23H27N3O5S2

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489.60758

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CA3

>  <Catalog Number> (3,596)
S8661

>  <Synonyms> (3,596)
N/A

>  <Target> (3,596)
YAP/TEAD interaction

>  <Form> (3,596)
free base

>  <URL> (3,596)
http://www.selleckchem.com/products/ca3.html

>  <CAS Number> (3,596)
300802-28-2

$$$$
PTC-028.cdx
csChFnd80/10101813032D

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3597

>  <Formula> (3,597)
C19H12F5N5

>  <MolWeight> (3,597)
405.324096

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PTC-028

>  <Catalog Number> (3,597)
S8662

>  <Synonyms> (3,597)
N/A

>  <Target> (3,597)
BMI-1

>  <Form> (3,597)
free base

>  <URL> (3,597)
http://www.selleckchem.com/products/ptc-028.html

>  <CAS Number> (3,597)
1782970-28-8

$$$$
>  <Mol_ID> (3,598)
3598

>  <Item Name> (3,598)
Casanthranol

>  <Catalog Number> (3,598)
S5132

>  <Synonyms> (3,598)
N/A

>  <Target> (3,598)
Others

>  <URL> (3,598)
http://www.selleckchem.com/products/casanthranol.html

>  <CAS Number> (3,598)
8024-48-4

$$$$
S5131 Homotaurine.cdx
csChFnd80/10101813032D

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3599

>  <Formula> (3,599)
C3H9NO3S

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139.17346

>  <Item Name> (3,599)
Homotaurine

>  <Catalog Number> (3,599)
S5131

>  <Synonyms> (3,599)
Tramiprosate, Alzhemed, 3-Amino-1-propanesulfonic acid

>  <Target> (3,599)
GABA receptor

>  <Form> (3,599)
free base

>  <URL> (3,599)
http://www.selleckchem.com/products/homotaurine.html

>  <CAS Number> (3,599)
3687-18-1

$$$$
S5130 Taurocholic acid sodium salt hydrate.cdx
csChFnd80/10101813032D

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?xH2O?
M  END
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3600

>  <Formula> (3,600)
C26H44NNaO7RS

>  <MolWeight> (3,600)
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>  <Item Name> (3,600)
Taurocholic acid sodium salt hydrate

>  <Catalog Number> (3,600)
S5130

>  <Synonyms> (3,600)
Sodium taurocholate hydrate

>  <Target> (3,600)
Others

>  <Form> (3,600)
sodium salt, hydrate

>  <URL> (3,600)
http://www.selleckchem.com/products/taurocholic-acid-sodium-salt-hydrate.html

>  <CAS Number> (3,600)
345909-26-4

$$$$
S5128 Orsellinic acid ethyl ester.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,601)
3601

>  <Formula> (3,601)
C10H12O4

>  <MolWeight> (3,601)
196.19988

>  <Item Name> (3,601)
Orsellinic acid ethyl ester

>  <Catalog Number> (3,601)
S5128

>  <Synonyms> (3,601)
Ethyl Orsellinate

>  <Target> (3,601)
Others

>  <Form> (3,601)
free base

>  <URL> (3,601)
http://www.selleckchem.com/products/orsellinic-acid-ethyl-ester.html

>  <CAS Number> (3,601)
2524-37-0

$$$$
IDO inhibitor 1.cdx
csChFnd80/10101813032D

 37 40  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    3.3771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.0456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.0456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    3.3771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  8 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  8  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 18 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 31 34  1  0  0  0  0
 20 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (3,602)
3602

>  <Formula> (3,602)
C29H35N7O

>  <MolWeight> (3,602)
497.6345

>  <Item Name> (3,602)
IDO inhibitor 1

>  <Catalog Number> (3,602)
S8557

>  <Synonyms> (3,602)
N/A

>  <Target> (3,602)
IDO

>  <Form> (3,602)
free base

>  <URL> (3,602)
http://www.selleckchem.com/products/mucic-acid.html

>  <CAS Number> (3,602)
1668565-74-9

$$$$
S4791 S-allyl-L-cysteine.cdx
csChFnd80/10101813032D

 10  9  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,603)
3603

>  <Formula> (3,603)
C6H11NO2S

>  <MolWeight> (3,603)
161.22204

>  <Item Name> (3,603)
S-allyl-L-cysteine

>  <Catalog Number> (3,603)
S4791

>  <Synonyms> (3,603)
S-Allylcysteine

>  <Target> (3,603)
Others

>  <Form> (3,603)
free base

>  <URL> (3,603)
http://www.selleckchem.com/products/s-allyl-l-cysteine.html

>  <CAS Number> (3,603)
21593-77-1

$$$$
S4792 N-Acetylneuraminic acid.cdx
csChFnd80/10101813032D

 22 22  0  0  0  0  0  0  0  0999 V2000
    4.8715    4.5138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6364    3.8166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0765    3.7763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8715    5.9137    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6340    2.3834    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4240    4.5166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0746    2.3863    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0767    6.6095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6518    6.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481    1.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    3.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5481    1.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4540    2.6256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2928    5.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0767    8.0053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    2.4186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9258    0.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5034    6.6063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    5.2138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  1  0  0  0
  7 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  6  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 13 20  2  0  0  0  0
 15 21  1  0  0  0  0
  1 22  1  1  0  0  0
M  END
>  <Mol_ID> (3,604)
3604

>  <Formula> (3,604)
C11H19NO9

>  <MolWeight> (3,604)
309.26986

>  <Item Name> (3,604)
N-Acetylneuraminic acid

>  <Catalog Number> (3,604)
S4792

>  <Synonyms> (3,604)
Neu5Ac, NeuAc, Acido aceneuramico, Acide aceneuramique, Acidium aceneuramicum, Sialic acid

>  <Target> (3,604)
Others

>  <Form> (3,604)
free base

>  <URL> (3,604)
http://www.selleckchem.com/products/n-acetylneuraminic-acid.html

>  <CAS Number> (3,604)
131-48-6

$$$$
S5124 DL-Citrulline.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,605)
3605

>  <Formula> (3,605)
C6H13N3O3

>  <MolWeight> (3,605)
175.18572

>  <Item Name> (3,605)
DL-Citrulline

>  <Catalog Number> (3,605)
S5124

>  <Synonyms> (3,605)
Citrulline

>  <Target> (3,605)
Others

>  <Form> (3,605)
free base

>  <URL> (3,605)
http://www.selleckchem.com/products/dl-citrulline.html

>  <CAS Number> (3,605)
627-77-0

$$$$
S5133 Sodium erythorbate.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.7641    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    3.7431    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4641    4.5660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    3.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9412    1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9870    1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4176    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.8092    4.4431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8092    3.0431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0216    3.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8092    5.8431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2340    4.4431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  1  0  0  0
 10 12  1  0  0  0  0
 10 13  1  6  0  0  0
 12 14  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,606)
3606

>  <Formula> (3,606)
C6H7NaO6

>  <MolWeight> (3,606)
198.10595

>  <Item Name> (3,606)
Sodium erythorbate

>  <Catalog Number> (3,606)
S5133

>  <Synonyms> (3,606)
D-Isoascorbate, Erythorbic acid sodium salt, Araboascorbic acid monosodium salt, Erbit N, Eribate N

>  <Target> (3,606)
Others

>  <Form> (3,606)
sodium salt

>  <URL> (3,606)
http://www.selleckchem.com/products/sodium-erythorbate.html

>  <CAS Number> (3,606)
6381-77-7

$$$$
S5136 Calcium folinate.cdx
csChFnd80/10101813032D

 36 37  0  0  0  0  0  0  0  0999 V2000
   17.6717    1.7626    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    3.6577    7.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8747    6.3010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577    8.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4341    6.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0854    7.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8747    4.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8577    9.0920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237    9.1117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    7.0072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4341    4.9321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0854    8.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2948    6.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0971    4.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1952    8.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5095    7.0031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    6.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9559    7.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    4.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1579    6.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9500    4.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1579    4.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3690    4.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5810    4.9248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3690    2.8233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7944    4.2242    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9583    4.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7569    2.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1937    4.2115    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.9583    6.2969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5603    2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5538    0.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7585    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.3408    0.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6618    4.2113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 27 25  1  6  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 35  2  0  0  0  0
 33 34  1  0  0  0  0
  7 36  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,607)
3607

>  <Formula> (3,607)
C20H21CaN7O7

>  <MolWeight> (3,607)
511.50144

>  <Item Name> (3,607)
Calcium folinate

>  <Catalog Number> (3,607)
S5136

>  <Synonyms> (3,607)
Leucovorin calcium, Folinic acid calcium salt, Wellcovorin

>  <Target> (3,607)
Others

>  <Form> (3,607)
calcium salt

>  <URL> (3,607)
http://www.selleckchem.com/products/calcium-folinate.html

>  <CAS Number> (3,607)
1492-18-8

$$$$
S4786 S-Methyl-L-cysteine.cdx
csChFnd80/10101813032D

  8  7  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,608)
3608

>  <Formula> (3,608)
C4H9NO2S

>  <MolWeight> (3,608)
135.18476

>  <Item Name> (3,608)
S-Methyl-L-cysteine

>  <Catalog Number> (3,608)
S4786

>  <Synonyms> (3,608)
 S-Methylcysteine

>  <Target> (3,608)
Others

>  <Form> (3,608)
free base

>  <URL> (3,608)
http://www.selleckchem.com/products/s-methyl-l-cysteine.html

>  <CAS Number> (3,608)
1187-84-4

$$$$
S4788 L-¦Á-Phosphatidylcholine.cdx
csChFnd80/10101813032D

 23 21  0  0  0  0  0  0  0  0999 V2000
    4.8497    6.4426    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    7.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.0426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.1426    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.2124    7.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870    5.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    8.3551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.8426    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4426    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.5426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5870    5.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2870    4.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6870    4.7178    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.6870    3.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0870    4.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6870    6.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.9426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.0426    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    0.5739    0.0000    0.0000 L   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  7 21  2  0  0  0  0
  7 22  1  0  0  0  0
A   13
R
A   22
R'
A   23
R,R' = fatty acid residues
M  END
>  <Mol_ID> (3,609)
3609

>  <Formula> (3,609)
C10H18LNO8PR2

>  <MolWeight> (3,609)
311.225581

>  <Item Name> (3,609)
L-¦Á-Phosphatidylcholine

>  <Catalog Number> (3,609)
S4788

>  <Synonyms> (3,609)
N/A

>  <Target> (3,609)
Others

>  <URL> (3,609)
http://www.selleckchem.com/products/l-alpha-phosphatidylcholine.html

>  <CAS Number> (3,609)
8002-43-5

$$$$
S4770 Creatine phosphate disodium salt.cdx
csChFnd80/10101813032D

 15 12  0  0  0  0  0  0  0  0999 V2000
    7.1740    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5989    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8113    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5989    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1740    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9616    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7492    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8367    0.8876    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3243    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2367    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.9252    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8210    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,610)
3610

>  <Formula> (3,610)
C4H8N3Na2O5P

>  <MolWeight> (3,610)
255.076721

>  <Item Name> (3,610)
Creatine phosphate disodium salt

>  <Catalog Number> (3,610)
S4770

>  <Synonyms> (3,610)
Phosphocreatine disodium salt

>  <Target> (3,610)
Others

>  <Form> (3,610)
disodium salt

>  <URL> (3,610)
http://www.selleckchem.com/products/creatine-phosphate-disodium-salt.html

>  <CAS Number> (3,610)
922-32-7

$$$$
LLY-283.cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    5.5072    9.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5072    8.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196    7.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9320    8.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9320    9.9966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196   10.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757   10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3528    9.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757    8.1640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431    6.8325    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4116    6.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.9999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7431    4.5673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5660    5.6999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2790    4.1770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.7464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2927    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4390    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757    3.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9660    5.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196   12.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 12 15  1  1  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 13 23  1  6  0  0  0
 14 24  1  6  0  0  0
  6 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,611)
3611

>  <Formula> (3,611)
C17H18N4O4

>  <MolWeight> (3,611)
342.34922

>  <Item Name> (3,611)
LLY-283

>  <Catalog Number> (3,611)
S8479

>  <Synonyms> (3,611)
N/A

>  <Target> (3,611)
PRMT5

>  <Form> (3,611)
free base

>  <URL> (3,611)
http://www.selleckchem.com/products/lly-283.html

>  <CAS Number> (3,611)
2040291-27-6

$$$$
IPI-3063.cdx
csChFnd80/10101813032D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 16  7  1  0  0  0  0
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 21 22  1  0  0  0  0
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M  END
>  <Mol_ID> (3,612)
3612

>  <Formula> (3,612)
C25H25N7O2

>  <MolWeight> (3,612)
455.5117

>  <Item Name> (3,612)
IPI-3063

>  <Catalog Number> (3,612)
S7335

>  <Synonyms> (3,612)
N/A

>  <Target> (3,612)
p110¦Ä

>  <Form> (3,612)
free base

>  <URL> (3,612)
http://www.selleckchem.com/products/ipi-3063.html

>  <CAS Number> (3,612)
1425043-73-7

$$$$
S5167 Benzyl cinnamate.cdx
csChFnd80/10101813032D

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    1.2209    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2043    0.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,613)
3613

>  <Formula> (3,613)
C16H14O2

>  <MolWeight> (3,613)
238.28116

>  <Item Name> (3,613)
Benzyl cinnamate

>  <Catalog Number> (3,613)
S5167

>  <Synonyms> (3,613)
Cinnamein, Benzylcinnamoate, Benzyl 3-phenylpropenoate, Cinnamic acid benzyl ester

>  <Target> (3,613)
Others

>  <Form> (3,613)
free base

>  <URL> (3,613)
http://www.selleckchem.com/products/benzyl-cinnamate.html

>  <CAS Number> (3,613)
103-41-3

$$$$
S5168 Anthraquinone.cdx
csChFnd80/10101813032D

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    2.4401    2.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6568    1.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6568    4.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,614)
3614

>  <Formula> (3,614)
C14H8O2

>  <MolWeight> (3,614)
208.21212

>  <Item Name> (3,614)
Anthraquinone

>  <Catalog Number> (3,614)
S5168

>  <Synonyms> (3,614)
Anthradione, anthracenedione, dioxoanthracene

>  <Target> (3,614)
Others

>  <Form> (3,614)
free base

>  <URL> (3,614)
http://www.selleckchem.com/products/anthraquinone.html

>  <CAS Number> (3,614)
84-65-1

$$$$
S5170 Coumarin 6.cdx
csChFnd80/10101813032D

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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    6.2923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    4.3306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    7.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,615)
3615

>  <Formula> (3,615)
C20H18N2O2S

>  <MolWeight> (3,615)
350.43412

>  <Item Name> (3,615)
Coumarin 6

>  <Catalog Number> (3,615)
S5170

>  <Synonyms> (3,615)
N/A

>  <Target> (3,615)
Others

>  <Form> (3,615)
free base

>  <URL> (3,615)
http://www.selleckchem.com/products/coumarin-6.html

>  <CAS Number> (3,615)
38215-36-0

$$$$
S5171 Atrazine.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
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    4.8482    0.0088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.0039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,616)
3616

>  <Formula> (3,616)
C8H14ClN5

>  <MolWeight> (3,616)
215.68326

>  <Item Name> (3,616)
Atrazine

>  <Catalog Number> (3,616)
S5171

>  <Synonyms> (3,616)
Chromozin, Oleogesaprim, Aktikon, Gesaprim

>  <Target> (3,616)
Others

>  <Form> (3,616)
free base

>  <URL> (3,616)
http://www.selleckchem.com/products/atrazine.html

>  <CAS Number> (3,616)
1912-24-9

$$$$
S5174 Kojic acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,617)
3617

>  <Formula> (3,617)
C6H6O4

>  <MolWeight> (3,617)
142.10944

>  <Item Name> (3,617)
Kojic acid

>  <Catalog Number> (3,617)
S5174

>  <Synonyms> (3,617)
N/A

>  <Target> (3,617)
Tyrosinase

>  <Form> (3,617)
free base

>  <URL> (3,617)
http://www.selleckchem.com/products/kojic-acid.html

>  <CAS Number> (3,617)
501-30-4

$$$$
S5175 (-)-Ambroxide.cdx
csChFnd80/10101813032D

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M  END
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>  <Formula> (3,618)
C16H28O

>  <MolWeight> (3,618)
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>  <Item Name> (3,618)
(-)-Ambroxide

>  <Catalog Number> (3,618)
S5175

>  <Synonyms> (3,618)
N/A

>  <Target> (3,618)
Others

>  <Form> (3,618)
free base

>  <URL> (3,618)
http://www.selleckchem.com/products/ambroxide.html

>  <CAS Number> (3,618)
6790-58-5

$$$$
S5109 Ademetionine.cdx
csChFnd80/10101813032D

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>  <Formula> (3,619)
C15H22N6O5S

>  <MolWeight> (3,619)
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>  <Item Name> (3,619)
Ademetionine

>  <Catalog Number> (3,619)
S5109

>  <Synonyms> (3,619)
AdoMet, S-Adenosylmethionine, SAMe

>  <Target> (3,619)
Others

>  <Form> (3,619)
inner salt

>  <URL> (3,619)
http://www.selleckchem.com/products/ademetionine.html

>  <CAS Number> (3,619)
29908-03-0

$$$$
S5110 Safflower Yellow.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,620)
3620

>  <Formula> (3,620)
C43H42O22

>  <MolWeight> (3,620)
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>  <Item Name> (3,620)
Safflower Yellow

>  <Catalog Number> (3,620)
S5110

>  <Synonyms> (3,620)
Safflor Yellow

>  <Target> (3,620)
Others

>  <Form> (3,620)
free base

>  <URL> (3,620)
http://www.selleckchem.com/products/safflower-yellow.html

>  <CAS Number> (3,620)
36338-96-2

$$$$
S5111 7-Ethylcamptothecin.cdx
csChFnd80/10101813032D

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>  <Formula> (3,621)
C22H20N2O4

>  <MolWeight> (3,621)
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>  <Item Name> (3,621)
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>  <Catalog Number> (3,621)
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>  <Synonyms> (3,621)
N/A

>  <Target> (3,621)
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free base

>  <URL> (3,621)
http://www.selleckchem.com/products/7-ethylcamptothecin.html

>  <CAS Number> (3,621)
78287-27-1

$$$$
S5112 alpha-Arbutin.cdx
csChFnd80/10101813032D

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    2.4237    2.0672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4237    3.4811    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0474    4.1938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6593    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2592    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999    1.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2118    4.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2592    2.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6948    3.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4709    1.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8947    1.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  1  7  1  6  0  0  0
  3  2  1  0  0  0  0
  2  8  1  6  0  0  0
  3  9  1  1  0  0  0
  3  5  1  0  0  0  0
  6  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  6  0  0  0
  6 13  1  1  0  0  0
 10  7  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 12 16  1  0  0  0  0
 18 12  1  0  0  0  0
 17 12  2  0  0  0  0
 19 13  1  0  0  0  0
 17 14  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,622)
3622

>  <Formula> (3,622)
C12H16O7

>  <MolWeight> (3,622)
272.25124

>  <Item Name> (3,622)
alpha-Arbutin

>  <Catalog Number> (3,622)
S5112

>  <Synonyms> (3,622)
alpha-Arbutoside, 4-hydroxyphenyl-D-lucopyranoside

>  <Target> (3,622)
Others

>  <Form> (3,622)
free base

>  <URL> (3,622)
http://www.selleckchem.com/products/alpha-arbutin.html

>  <CAS Number> (3,622)
84380-01-8

$$$$
S5114 Hydroquinine.cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2045    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6054    6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0388    8.3133    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2904    5.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5035    9.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1987    3.9982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  1  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 12  2  0  0  0  0
  9 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  6  0  0  0
 22 23  1  0  0  0  0
 14 24  1  0  0  0  0
 10 25  1  1  0  0  0
M  END
>  <Mol_ID> (3,623)
3623

>  <Formula> (3,623)
C20H26N2O2

>  <MolWeight> (3,623)
326.43264

>  <Item Name> (3,623)
Hydroquinine

>  <Catalog Number> (3,623)
S5114

>  <Synonyms> (3,623)
Dihydroquinine

>  <Target> (3,623)
Others

>  <Form> (3,623)
free base

>  <URL> (3,623)
http://www.selleckchem.com/products/hydroquinine.html

>  <CAS Number> (3,623)
522-66-7

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/10101813032D

 20 17  0  0  0  0  0  0  0  0999 V2000
    4.7611    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521    3.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2131    5.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5731    2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282    5.0829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5143    2.5760    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0767    5.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5423    5.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921    1.2735    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    5.5489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7231    1.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2700    0.6897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    0.5444    4.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    7.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6829    0.6064    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5646    6.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 14 16  1  0  0  0  0
  5 20  1  6  0  0  0
M  END
>  <Mol_ID> (3,624)
3624

>  <Formula> (3,624)
C6H6Na3O9P

>  <MolWeight> (3,624)
322.049511

>  <Item Name> (3,624)
Sodium L-ascorbyl-2-phosphate

>  <Catalog Number> (3,624)
S5115

>  <Synonyms> (3,624)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (3,624)
Others

>  <Form> (3,624)
sodium salt

>  <URL> (3,624)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

>  <CAS Number> (3,624)
66170-10-3

$$$$
S5116 Bilibubin.cdx
csChFnd80/10101813032D

 43 46  0  0  0  0  0  0  0  0999 V2000
    2.5277    6.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8981    4.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0390    3.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2017    4.1827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8333    2.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6400    3.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569    2.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3522    1.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2580    1.9358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1090    7.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6423    8.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3674    9.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8605    9.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4842    7.5817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215    8.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   10.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5783    3.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3312    1.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  6  9  2  0  0  0  0
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 14 18  1  0  0  0  0
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 18 22  1  0  0  0  0
 20 41  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 25  2  0  0  0  0
 24 27  1  0  0  0  0
 25 31  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  2  0  0  0  0
 33 36  1  0  0  0  0
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 35 38  1  0  0  0  0
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 37 39  2  0  0  0  0
 38 40  2  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
M  END
>  <Mol_ID> (3,625)
3625

>  <Formula> (3,625)
C33H36N4O6

>  <MolWeight> (3,625)
584.66214

>  <Item Name> (3,625)
Bilibubin

>  <Catalog Number> (3,625)
S5116

>  <Synonyms> (3,625)
N/A

>  <Target> (3,625)
Others

>  <Form> (3,625)
free base

>  <URL> (3,625)
http://www.selleckchem.com/products/bilibubin.html

>  <CAS Number> (3,625)
635-65-4

$$$$
S5117 Doramectin.cdx
csChFnd80/10101813032D

 69 76  0  0  0  0  0  0  0  0999 V2000
   14.3020    3.4952    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.3020    2.0834    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.5773    4.2157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0946    4.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3020    4.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9291    1.6842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5773    1.3824    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5968    5.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7652    3.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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3626

>  <Formula> (3,626)
C50H74O14

>  <MolWeight> (3,626)
899.11416

>  <Item Name> (3,626)
Doramectin

>  <Catalog Number> (3,626)
S5117

>  <Synonyms> (3,626)
Cyclohexylavermectin B1, Dectomax

>  <Target> (3,626)
Others

>  <Form> (3,626)
free base

>  <URL> (3,626)
http://www.selleckchem.com/products/doramectin.html

>  <CAS Number> (3,626)
117704-25-3

$$$$
PF-06651600.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,627)
3627

>  <Formula> (3,627)
C15H19N5O

>  <MolWeight> (3,627)
285.34426

>  <Item Name> (3,627)
PF-06651600

>  <Catalog Number> (3,627)
S8538

>  <Synonyms> (3,627)
N/A

>  <Target> (3,627)
JAK3 

>  <Form> (3,627)
free base

>  <URL> (3,627)
http://www.selleckchem.com/products/pf-06651600.html

>  <CAS Number> (3,627)
1792180-81-4

$$$$
S5113 Propyl gallate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,628)
3628

>  <Formula> (3,628)
C10H12O5

>  <MolWeight> (3,628)
212.19928

>  <Item Name> (3,628)
Propyl gallate

>  <Catalog Number> (3,628)
S5113

>  <Synonyms> (3,628)
Gallic acid propyl esterZ, n-Propyl gallate

>  <Target> (3,628)
Others

>  <Form> (3,628)
free base

>  <URL> (3,628)
http://www.selleckchem.com/products/propyl-gallate.html

>  <CAS Number> (3,628)
121-79-9

$$$$
S5160 4-Methoxysalicylic acid.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,629)
3629

>  <Formula> (3,629)
C8H8O4

>  <MolWeight> (3,629)
168.14672

>  <Item Name> (3,629)
4-Methoxysalicylic acid

>  <Catalog Number> (3,629)
S5160

>  <Synonyms> (3,629)
2-Hydroxy-p-anisic Acid

>  <Target> (3,629)
Others

>  <Form> (3,629)
free base

>  <URL> (3,629)
http://www.selleckchem.com/products/4-methoxysalicylic-acid.html

>  <CAS Number> (3,629)
2237-36-7

$$$$
S5162 Isovanillic acid.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (3,630)
3630

>  <Formula> (3,630)
C8H8O4

>  <MolWeight> (3,630)
168.14672

>  <Item Name> (3,630)
Isovanillic acid

>  <Catalog Number> (3,630)
S5162

>  <Synonyms> (3,630)
Acide isovanillique, 3-Hydroxyanisic acid, 3-Hydroxy-p-anisic acid

>  <Target> (3,630)
Others

>  <Form> (3,630)
free base

>  <URL> (3,630)
http://www.selleckchem.com/products/isovanillic-acid.html

>  <CAS Number> (3,630)
645-08-9

$$$$
S5163 7-Methoxycoumarin.cdx
csChFnd80/10101813032D

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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  8 10  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,631)
3631

>  <Formula> (3,631)
C10H8O3

>  <MolWeight> (3,631)
176.16872

>  <Item Name> (3,631)
7-Methoxycoumarin

>  <Catalog Number> (3,631)
S5163

>  <Synonyms> (3,631)
Herniarin, Herniarine

>  <Target> (3,631)
Others

>  <Form> (3,631)
free base

>  <URL> (3,631)
http://www.selleckchem.com/products/7-methoxycoumarin.html

>  <CAS Number> (3,631)
531-59-9

$$$$
S5165 Solvent Red 23.cdx
csChFnd80/10101813032D

 27 30  0  0  0  0  0  0  0  0999 V2000
   13.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,632)
3632

>  <Formula> (3,632)
C22H16N4O

>  <MolWeight> (3,632)
352.38864

>  <Item Name> (3,632)
Solvent Red 23

>  <Catalog Number> (3,632)
S5165

>  <Synonyms> (3,632)
Cerasin Red, Sudan III, Sudan Red III, Fettscharlach

>  <Target> (3,632)
Others

>  <Form> (3,632)
free base

>  <URL> (3,632)
http://www.selleckchem.com/products/solvent-red-23.html

>  <CAS Number> (3,632)
85-86-9

$$$$
S5166 Benzoyleneurea.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,633)
3633

>  <Formula> (3,633)
C8H6N2O2

>  <MolWeight> (3,633)
162.14544

>  <Item Name> (3,633)
Benzoyleneurea

>  <Catalog Number> (3,633)
S5166

>  <Synonyms> (3,633)
2,4-Dihydroxyquinazoline, Quinazolinedione, Quinazoline-2,4-diol

>  <Target> (3,633)
Others

>  <Form> (3,633)
free base

>  <URL> (3,633)
http://www.selleckchem.com/products/benzoyleneurea.html

>  <CAS Number> (3,633)
86-96-4

$$$$
S5122 Abietic Acid.cdx
csChFnd80/10101813032D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.1023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4284    4.5023    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2107    2.4053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6355    2.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6426    5.1993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2177    5.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7515    1.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1033    1.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    4.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6461    6.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0035    4.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1402    0.9367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0674    5.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8603    7.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0709    6.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2851    7.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4958    6.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    8.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6426    3.7993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4284    5.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  3  9  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5 22  1  6  0  0  0
  1 23  1  6  0  0  0
  2 24  1  1  0  0  0
M  END
>  <Mol_ID> (3,634)
3634

>  <Formula> (3,634)
C20H30O2

>  <MolWeight> (3,634)
302.451

>  <Item Name> (3,634)
Abietic Acid

>  <Catalog Number> (3,634)
S5122

>  <Synonyms> (3,634)
Sylvic acid, Abietate, L-Abietic acid, Rosin Acid

>  <Target> (3,634)
PPAR¦Ã,5-lipoxygenase

>  <Form> (3,634)
free base

>  <URL> (3,634)
http://www.selleckchem.com/products/abietic-acid.html

>  <CAS Number> (3,634)
514-10-3

$$$$
S5126 Aleuritic Acid.cdx
csChFnd80/10101813032D

 21 20  0  0  0  0  0  0  0  0999 V2000
   10.9119    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,635)
3635

>  <Formula> (3,635)
C16H32O5

>  <MolWeight> (3,635)
304.42228

>  <Item Name> (3,635)
Aleuritic Acid

>  <Catalog Number> (3,635)
S5126

>  <Synonyms> (3,635)
Aleuritolic acid, 9,10,16-trihydroxy-palmitic acid

>  <Target> (3,635)
Others

>  <Form> (3,635)
free base

>  <URL> (3,635)
http://www.selleckchem.com/products/aleuritic-acid.html

>  <CAS Number> (3,635)
533-87-9

$$$$
S5127 Spiculisporic Acid.cdx
csChFnd80/10101813032D

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.6166    1.9615    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3164    3.1736    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1795    0.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4739    2.7901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8955    1.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6164    4.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7677    0.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310    1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0279    2.2147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0418    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4160    4.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2161    4.3860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3159    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148    4.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5151    5.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9159    5.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6152    6.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0159    6.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7152    8.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1160    8.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8153    9.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  9 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,636)
3636

>  <Formula> (3,636)
C17H28O6

>  <MolWeight> (3,636)
328.40062

>  <Item Name> (3,636)
Spiculisporic Acid

>  <Catalog Number> (3,636)
S5127

>  <Synonyms> (3,636)
4,5-dicarboxy-4-pentadecanolide

>  <Target> (3,636)
Others

>  <Form> (3,636)
free base

>  <URL> (3,636)
http://www.selleckchem.com/products/spiculisporic-acid.html

>  <CAS Number> (3,636)
469-77-2

$$$$
S5134 D(-)-Arabinose.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6383    2.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.1050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2182    3.5050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4338    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,637)
3637

>  <Formula> (3,637)
C5H10O5

>  <MolWeight> (3,637)
150.1299

>  <Item Name> (3,637)
D(-)-Arabinose

>  <Catalog Number> (3,637)
S5134

>  <Synonyms> (3,637)
D-arabinose

>  <Target> (3,637)
Others

>  <Form> (3,637)
free base

>  <URL> (3,637)
http://www.selleckchem.com/products/d-arabinose.html

>  <CAS Number> (3,637)
28697-53-2

$$$$
S5135 Hydroferulic acid.cdx
csChFnd80/10101813032D

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    6.0634    4.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,638)
3638

>  <Formula> (3,638)
C10H12O4

>  <MolWeight> (3,638)
196.19988

>  <Item Name> (3,638)
Hydroferulic acid

>  <Catalog Number> (3,638)
S5135

>  <Synonyms> (3,638)
Dihydroferulic acid, Dihydroconiferylic acid

>  <Target> (3,638)
Others

>  <Form> (3,638)
free base

>  <URL> (3,638)
http://www.selleckchem.com/products/hydroferulic-acid.html

>  <CAS Number> (3,638)
1135-23-5

$$$$
>  <Mol_ID> (3,639)
3639

>  <Item Name> (3,639)
Lanolin

>  <Catalog Number> (3,639)
S5106

>  <Synonyms> (3,639)
wool wax, wool grease

>  <Target> (3,639)
Others

>  <URL> (3,639)
http://www.selleckchem.com/products/lanolin.html

>  <CAS Number> (3,639)
8006-54-0

$$$$
GO-203.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,640)
3640

>  <Formula> (3,640)
C89H171F3N52O21S2

>  <MolWeight> (3,640)
2426.7710496

>  <Item Name> (3,640)
GO-203

>  <Catalog Number> (3,640)
S8674

>  <Synonyms> (3,640)
N/A

>  <Target> (3,640)
MUC-1C

>  <Form> (3,640)
trifluoroacetate

>  <URL> (3,640)
http://www.selleckchem.com/products/go-203.html

>  <CAS Number> (3,640)
1222186-26-6

$$$$
ML204.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,641)
3641

>  <Formula> (3,641)
C15H18N2

>  <MolWeight> (3,641)
226.31682

>  <Item Name> (3,641)
ML204

>  <Catalog Number> (3,641)
S8691

>  <Synonyms> (3,641)
N/A

>  <Target> (3,641)
TRPC4

>  <Form> (3,641)
free base

>  <URL> (3,641)
http://www.selleckchem.com/products/ml204.html

>  <CAS Number> (3,641)
5465-86-1

$$$$
S4821 Glycine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,642)
3642

>  <Formula> (3,642)
C2H5NO2

>  <MolWeight> (3,642)
75.0666

>  <Item Name> (3,642)
Glycine

>  <Catalog Number> (3,642)
S4821

>  <Synonyms> (3,642)
 2-Aminoacetic acid, Aminoacetic acid, Glycocoll

>  <Target> (3,642)
Others

>  <Form> (3,642)
free base

>  <URL> (3,642)
http://www.selleckchem.com/products/glycine.html

>  <CAS Number> (3,642)
56-40-6

$$$$
S4826 Aluminium hydroxide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,643)
3643

>  <Formula> (3,643)
AlH3O3

>  <MolWeight> (3,643)
78.003558

>  <Item Name> (3,643)
Aluminium hydroxide

>  <Catalog Number> (3,643)
S4826

>  <Synonyms> (3,643)
Aluminic hydroxide, Aluminum trihydroxide, Aluminium(III) hydroxide

>  <Target> (3,643)
Others

>  <Form> (3,643)
free base

>  <URL> (3,643)
http://www.selleckchem.com/products/aluminium-hydroxide.html

>  <CAS Number> (3,643)
21645-51-2

$$$$
S5159 Doxycycline.cdx
csChFnd80/10101813032D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,644)
3644

>  <Formula> (3,644)
C22H24N2O8

>  <MolWeight> (3,644)
444.43456

>  <Item Name> (3,644)
Doxycycline

>  <Catalog Number> (3,644)
S5159

>  <Synonyms> (3,644)
Vibramycin, Doxytetracycline, Doxiciclina, Doxycyclinum

>  <Target> (3,644)
Antifection

>  <Form> (3,644)
free base

>  <URL> (3,644)
http://www.selleckchem.com/products/doxycycline.html

>  <CAS Number> (3,644)
564-25-0

$$$$
S5164 Chlorotetracycline.cdx
csChFnd80/10101813032D

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    7.2428    5.7967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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free base

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57-62-5

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G9a,GLP

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free base

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1481677-78-4

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NGP 555.cdx
csChFnd80/10101813032D

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¦Ã-secretase

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free base

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1304630-27-0

$$$$
S3989 L-Hisidine.cdx
csChFnd80/10101813032D

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71-00-1

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Cetilistat

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>  <Synonyms> (3,649)
ATL962

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pancreatic lipase

>  <Form> (3,649)
free base

>  <URL> (3,649)
http://www.selleckchem.com/products/cetilistat.html

>  <CAS Number> (3,649)
282526-98-1

$$$$
JQ-EZ-05 (JQEZ5).cdx
csChFnd80/10101813032D

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C30H38N8O2

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JQ-EZ-05 (JQEZ5)

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S8607

>  <Synonyms> (3,650)
N/A

>  <Target> (3,650)
EZH1,EZH2

>  <Form> (3,650)
free base

>  <URL> (3,650)
http://www.selleckchem.com/products/jq-ez-05-jqez5.html

>  <CAS Number> (3,650)
1913252-04-6

$$$$
Stenabolic (SR9009).cdx
csChFnd80/10101813032D

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>  <Formula> (3,651)
C20H24ClN3O4S

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Stenabolic (SR9009)

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N/A

>  <Target> (3,651)
REV-ERB-¦Á,REV-ERB-¦Â

>  <Form> (3,651)
free base

>  <URL> (3,651)
http://www.selleckchem.com/products/stenabolic-sr9009.html

>  <CAS Number> (3,651)
1379686-30-2

$$$$
S5033 Terconazole.cdx
csChFnd80/10101813032D

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3652

>  <Formula> (3,652)
C26H31Cl2N5O3

>  <MolWeight> (3,652)
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>  <Item Name> (3,652)
Terconazole

>  <Catalog Number> (3,652)
S5033

>  <Synonyms> (3,652)
Terazol 3, Terazol 7, Triaconazole, Gyno-Terazol 

>  <Target> (3,652)
Anti-infection

>  <Form> (3,652)
free base

>  <URL> (3,652)
http://selleckchem.com/products/terconazole.html

>  <CAS Number> (3,652)
67915-31-5

$$$$
S5049 Thiocolchicoside.cdx
csChFnd80/10101813032D

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    8.3692   11.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7341    5.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7415    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8286   10.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7341   11.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0900   11.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0456   12.7720    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3834   13.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4415    5.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7415    4.5751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8415    5.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  8  1  0  0  0  0
  3  7  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 37  1  0  0  0  0
  9 14  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  1  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 36  1  0  0  0  0
 17 33  1  0  0  0  0
 18 21  2  0  0  0  0
 18 19  1  0  0  0  0
 19 22  1  0  0  0  0
 23 20  1  1  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  6  0  0  0
 27 30  1  0  0  0  0
 27 38  1  1  0  0  0
 28 31  1  1  0  0  0
 28 30  1  0  0  0  0
 30 32  1  6  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (3,653)
3653

>  <Formula> (3,653)
C27H33NO10S

>  <MolWeight> (3,653)
563.61662

>  <Item Name> (3,653)
Thiocolchicoside

>  <Catalog Number> (3,653)
S5049

>  <Synonyms> (3,653)
Thiocolchicine 2-glucoside analog, Coltramyl

>  <Target> (3,653)
GABA Receptor

>  <URL> (3,653)
http://selleckchem.com/products/thiocolchicoside.html

>  <CAS Number> (3,653)
602-41-5

$$$$
2-D08.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,654)
3654

>  <Formula> (3,654)
C15H10O5

>  <MolWeight> (3,654)
270.2369

>  <Item Name> (3,654)
2-D08
2-D08

>  <Catalog Number> (3,654)
S8696

>  <Synonyms> (3,654)
2',3',4'-trihydroxy flavone

>  <Target> (3,654)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (3,654)
free base

>  <URL> (3,654)
http://selleckchem.com/products/2-d08.html

>  <CAS Number> (3,654)
144707-18-6

$$$$
SHP099.cdx
csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.2792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.8792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0618    0.2269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8477    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,655)
3655

>  <Formula> (3,655)
C16H20Cl3N5

>  <MolWeight> (3,655)
388.7225

>  <Item Name> (3,655)
SHP099 hydrochloride

>  <Catalog Number> (3,655)
S8278

>  <Synonyms> (3,655)
N/A

>  <Target> (3,655)
phosphatase

>  <Form> (3,655)
hydrochloride 

>  <URL> (3,655)
http://selleckchem.com/products/shp099-dihydrochloride.html

>  <CAS Number> (3,655)
1801747-42-1(free base)

$$$$
S5025 Efinaconazole.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.8724    4.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2803    6.0564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4394    7.1758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    8.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5769    7.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    6.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1812    2.8128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8921    1.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9272    0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2586    0.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5524    2.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5133    3.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8575    3.2058    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1444    3.7463    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2937    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3145    5.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    3.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198    2.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    1.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4390    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    4.6187    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    1.9508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  6  1  0  0  0  0
  1  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  1  0  0  0  0
  7 14  1  0  0  0  0
 13  1  1  0  0  0  0
 10 15  2  0  0  0  0
 14 16  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 20 23  1  0  0  0  0
 18 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  6  0  0  0
M  END
>  <Mol_ID> (3,656)
3656

>  <Formula> (3,656)
C18H22F2N4O

>  <MolWeight> (3,656)
348.3902864

>  <Item Name> (3,656)
Efinaconazole

>  <Catalog Number> (3,656)
S5025

>  <Synonyms> (3,656)
KP-103

>  <Target> (3,656)
Anti-infection

>  <Form> (3,656)
free base

>  <URL> (3,656)
http://selleckchem.com/products/efinaconazole.html

>  <CAS Number> (3,656)
164650-44-6

$$$$
S5030 Dihydralazine sulphate.cdx
csChFnd80/10101813032D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.6372    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.9998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5819    2.2051    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3696    2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7944    1.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2819    3.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8819    0.9926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
 11 12  1  0  0  0  0
  4 12  2  0  0  0  0
 13 14  1  0  0  0  0
  1 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,657)
3657

>  <Formula> (3,657)
C8H12N6O4S

>  <MolWeight> (3,657)
288.28368

>  <Item Name> (3,657)
Dihydralazine sulphate

>  <Catalog Number> (3,657)
S5030

>  <Synonyms> (3,657)
Nepresol; Depressan; 1,4-Dihydrazinophthalazine sulfate; Hydralazine sulfate

>  <Target> (3,657)
Others

>  <URL> (3,657)
http://selleckchem.com/products/dihydralazine-sulphate.html

>  <CAS Number> (3,657)
7327-87-9

$$$$
S5031 Sulfaquinoxaline sodium.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 12 21  2  0  0  0  0
 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,658)
3658

>  <Formula> (3,658)
C14H11N4NaO2S

>  <MolWeight> (3,658)
322.31751

>  <Item Name> (3,658)
Sulfaquinoxaline sodium

>  <Catalog Number> (3,658)
S5031

>  <Synonyms> (3,658)
SQ-Na

>  <Target> (3,658)
Anti-infection

>  <Form> (3,658)
sodium salt

>  <URL> (3,658)
http://selleckchem.com/products/sulfaquinoxaline-sodium.html

>  <CAS Number> (3,658)
967-80-6

$$$$
S5036 Nisin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,659)
3659

>  <Formula> (3,659)
C143H230N42O37S7

>  <MolWeight> (3,659)
3354.0705

>  <Item Name> (3,659)
Nisin

>  <Catalog Number> (3,659)
S5036

>  <Synonyms> (3,659)
Ambicin N

>  <Target> (3,659)
Anti-infection

>  <URL> (3,659)
http://selleckchem.com/products/nisin.html

>  <CAS Number> (3,659)
1414-45-5

$$$$
S5047 Methyl ¦Á-D-mannopyranoside.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,660)
3660

>  <Formula> (3,660)
C7H14O6

>  <MolWeight> (3,660)
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>  <Item Name> (3,660)
Methyl ¦Á-D-mannopyranoside

>  <Catalog Number> (3,660)
S5047

>  <Synonyms> (3,660)
N/A

>  <Target> (3,660)
Others

>  <Form> (3,660)
free base

>  <URL> (3,660)
http://selleckchem.com/products/methyl-alpha-d-mannopyranoside.html

>  <CAS Number> (3,660)
617-04-9

$$$$
S5055 Milbemycin Oxime.cdx
csChFnd80/10101813032D

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 20  5  2  0  0  0  0
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 14  7  1  0  0  0  0
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 35  8  1  0  0  0  0
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 34 29  1  0  0  0  0
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A   36
R
A   44
R=CH3(80%);R=CH2CH3(20%)
M  END
>  <Mol_ID> (3,661)
3661

>  <Formula> (3,661)
C30H40NO7R2

>  <MolWeight> (3,661)
526.6411

>  <Item Name> (3,661)
Milbemycin Oxime

>  <Catalog Number> (3,661)
S5055

>  <Synonyms> (3,661)
N/A

>  <Target> (3,661)
Anti-infection

>  <URL> (3,661)
http://selleckchem.com/products/milbemycin-oxime.html

>  <CAS Number> (3,661)
129496-10-2

$$$$
S5059 Pixantrone Maleate.cdx
csChFnd80/10101813032D

 40 40  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,662)
3662

>  <Formula> (3,662)
C25H27N5O10

>  <MolWeight> (3,662)
557.50938

>  <Item Name> (3,662)
Pixantrone Maleate

>  <Catalog Number> (3,662)
S5059

>  <Synonyms> (3,662)
BBR-2778

>  <Target> (3,662)
Topoisomerase

>  <Form> (3,662)
dimaleate

>  <URL> (3,662)
http://selleckchem.com/products/pixantrone-maleate.html

>  <CAS Number> (3,662)
144675-97-8

$$$$
S5063 Trelagliptin succinate.cdx
csChFnd80/10101813032D

 34 35  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 25 20  1  0  0  0  0
 22 26  1  1  0  0  0
  8  9  3  0  0  0  0
 27 28  1  0  0  0  0
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 31 33  1  0  0  0  0
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M  END
>  <Mol_ID> (3,663)
3663

>  <Formula> (3,663)
C22H26FN5O6

>  <MolWeight> (3,663)
475.4701432

>  <Item Name> (3,663)
Trelagliptin succinate

>  <Catalog Number> (3,663)
S5063

>  <Synonyms> (3,663)
N/A

>  <Target> (3,663)
DPP-4

>  <Form> (3,663)
succinate

>  <URL> (3,663)
http://selleckchem.com/products/trelagliptin-succinate.html

>  <CAS Number> (3,663)
1029877-94-8

$$$$
S5070 Mupirocin calcium.cdx
csChFnd80/10101813032D

 77 78  0  0  0  0  0  0  0  0999 V2000
   10.6352   18.8763    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.0957   17.4767    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,664)
3664

>  <Formula> (3,664)
C52H90CaO20

>  <MolWeight> (3,664)
1075.337

>  <Item Name> (3,664)
Mupirocin calcium

>  <Catalog Number> (3,664)
S5070

>  <Synonyms> (3,664)
pseudomonic acid A

>  <Target> (3,664)
Anti-infection

>  <Form> (3,664)
calcium salt dihydrate

>  <URL> (3,664)
http://selleckchem.com/products/mupirocin-calcium.html

>  <CAS Number> (3,664)
115074-43-6

$$$$
S5076 Xipamide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,665)
3665

>  <Formula> (3,665)
C15H15ClN2O4S

>  <MolWeight> (3,665)
354.8086

>  <Item Name> (3,665)
Xipamide

>  <Catalog Number> (3,665)
S5076

>  <Synonyms> (3,665)
N/A

>  <Target> (3,665)
Others

>  <Form> (3,665)
free base

>  <URL> (3,665)
http://selleckchem.com/products/xipamide.html

>  <CAS Number> (3,665)
14293-44-8

$$$$
S5083 Lentinan.cdx
csChFnd80/10101813032D

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 26 20  1  1  0  0  0
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 22 28  1  0  0  0  0
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 30 23  1  1  0  0  0
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 44 52  1  0  0  0  0
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 57 60  1  6  0  0  0
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  8  9  1  0  0  0  0
 18 24  1  0  0  0  0
 28 34  1  0  0  0  0
 40 48  1  0  0  0  0
 46 52  1  0  0  0  0
 61 63  1  0  0  0  0
 70 72  1  0  0  0  0
 59 77  1  1  0  0  0
 77 78  1  0  0  0  0
 53 65  1  0  0  0  0
 50 79  1  0  0  0  0
A   80
n
A   81
n
M  END
>  <Mol_ID> (3,666)
3666

>  <Formula> (3,666)
C42H70O35R2

>  <MolWeight> (3,666)
1134.9842

>  <Item Name> (3,666)
Lentinan

>  <Catalog Number> (3,666)
S5083

>  <Synonyms> (3,666)
A823605, Bromoduline

>  <Target> (3,666)
Immunology & Inflammation related

>  <URL> (3,666)
http://selleckchem.com/products/lentinan.html

>  <CAS Number> (3,666)
37339-90-5

$$$$
S5085 Azamethiphos.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6414    2.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6414    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7521    1.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4170    3.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9592    0.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    2.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1520    1.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7916    4.1332    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8377    3.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6595    7.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
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 13 16  1  0  0  0  0
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 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,667)
3667

>  <Formula> (3,667)
C9H10ClN2O5PS

>  <MolWeight> (3,667)
324.677861

>  <Item Name> (3,667)
Azamethiphos

>  <Catalog Number> (3,667)
S5085

>  <Synonyms> (3,667)
N/A

>  <Target> (3,667)
Others

>  <Form> (3,667)
free base

>  <URL> (3,667)
http://selleckchem.com/products/azamethiphos.html

>  <CAS Number> (3,667)
35575-96-3

$$$$
S5086 p-Anisaldehyde.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8879    1.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7764    2.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6883    1.2191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
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  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,668)
3668

>  <Formula> (3,668)
C8H8O2

>  <MolWeight> (3,668)
136.14792

>  <Item Name> (3,668)
p-Anisaldehyde

>  <Catalog Number> (3,668)
S5086

>  <Synonyms> (3,668)
4-Methoxybenzaldehyde, Anisaldehyde, Anisic aldehyde, P-Methoxybenzaldehyde, 4-Anisaldehyde

>  <Target> (3,668)
Anti-infection

>  <Form> (3,668)
free base

>  <URL> (3,668)
http://selleckchem.com/products/p-anisaldehyde.html

>  <CAS Number> (3,668)
123-11-5

$$$$
S5089 4-Isopropylbenzaldehyde.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2368    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4509    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0198    2.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2368    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    4.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0159    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4502    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0253    0.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    4.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    6.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    6.9990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,669)
3669

>  <Formula> (3,669)
C10H12O

>  <MolWeight> (3,669)
148.20168

>  <Item Name> (3,669)
4-Isopropylbenzaldehyde

>  <Catalog Number> (3,669)
S5089

>  <Synonyms> (3,669)
Cuminaldehyde, Cuminic aldehyde, Cuminal

>  <Target> (3,669)
Others

>  <Form> (3,669)
free base

>  <URL> (3,669)
http://selleckchem.com/products/4-isopropylbenzaldehyde.html

>  <CAS Number> (3,669)
122-03-2

$$$$
S5090 4-Isopropylbenzyl Alcohol.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1625    1.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8645    2.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8546    0.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    1.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2623    2.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2521    0.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269    2.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9634    1.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3633    1.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
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  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,670)
3670

>  <Formula> (3,670)
C10H14O

>  <MolWeight> (3,670)
150.21756

>  <Item Name> (3,670)
4-Isopropylbenzyl Alcohol

>  <Catalog Number> (3,670)
S5090

>  <Synonyms> (3,670)
Cumic alcohol, Cuminyl alcohol, Cuminic alcohol

>  <Target> (3,670)
Others

>  <Form> (3,670)
free base

>  <URL> (3,670)
http://selleckchem.com/products/4-isopropylbenzyl-alcohol.html

>  <CAS Number> (3,670)
536-60-7

$$$$
S5091 Geranyl acetate.cdx
csChFnd80/10101813032D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.0624    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,671)
3671

>  <Formula> (3,671)
C12H20O2

>  <MolWeight> (3,671)
196.286

>  <Item Name> (3,671)
Geranyl acetate

>  <Catalog Number> (3,671)
S5091

>  <Synonyms> (3,671)
Geraniol acetate, Geranyl ethanoate

>  <Target> (3,671)
Others

>  <Form> (3,671)
free base

>  <URL> (3,671)
http://selleckchem.com/products/geranyl-acetate.html

>  <CAS Number> (3,671)
105-87-3

$$$$
S5094 Maduramycin Ammonium.cdx
csChFnd80/10101813032D

 72 77  0  0  0  0  0  0  0  0999 V2000
    9.7501    7.4366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9835    6.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0332    6.2604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4744    8.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0548    8.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1809    7.2858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6062    6.2604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6575    8.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6062    8.6269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6365    7.3361    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6182    9.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4018    5.0631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9180    7.4436    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.1689    3.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0216    6.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9095    7.3145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4866    8.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0641    6.2821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0641    3.9159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8671    7.2786    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3828    9.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6303    6.2821    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   18.2399    8.6051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   19.1936   11.4446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   21.6674   11.4446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.0869    4.3388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.3059    6.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0799    8.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6674   12.8214    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   24.0837    3.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0869   15.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9339    6.1315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1715    6.0812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  1  0  0  0  0
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 13 19  1  6  0  0  0
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 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  6  0  0  0
 22 26  1  0  0  0  0
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 23 28  1  0  0  0  0
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 27 33  1  0  0  0  0
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 29 36  1  0  0  0  0
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 30 38  1  0  0  0  0
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 47 51  1  0  0  0  0
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 49 53  1  0  0  0  0
 49 54  1  1  0  0  0
 50 55  1  0  0  0  0
 50 56  1  6  0  0  0
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 52 58  1  0  0  0  0
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 52 60  1  1  0  0  0
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 61 64  1  0  0  0  0
  6  8  1  0  0  0  0
  9 13  1  0  0  0  0
 20 21  1  0  0  0  0
 28 31  1  0  0  0  0
 36 38  1  0  0  0  0
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 53 58  1  0  0  0  0
  7 65  1  1  0  0  0
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M  END
>  <Mol_ID> (3,672)
3672

>  <Formula> (3,672)
C47H83NO17

>  <MolWeight> (3,672)
934.15842

>  <Item Name> (3,672)
Maduramycin Ammonium

>  <Catalog Number> (3,672)
S5094

>  <Synonyms> (3,672)
N/A

>  <Target> (3,672)
Anti-infection

>  <URL> (3,672)
http://selleckchem.com/products/maduramycin-ammonium.html

>  <CAS Number> (3,672)
84878-61-5

$$$$
S5096 SulfadiMethoxine sodiuM.cdx
csChFnd80/10101813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.5220    3.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3096    3.7009    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5220    1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7345    3.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6096    2.4885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0096    4.9134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0972    4.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7345    0.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9469    3.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2098    2.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3096    1.2761    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    9.9469    1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4904    3.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  9 12  2  0  0  0  0
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M  END
>  <Mol_ID> (3,673)
3673

>  <Formula> (3,673)
C12H13N4NaO4S

>  <MolWeight> (3,673)
332.31079

>  <Item Name> (3,673)
SulfadiMethoxine sodium

>  <Catalog Number> (3,673)
S5096

>  <Synonyms> (3,673)
Sulfadimethoxydiazine sodium

>  <Target> (3,673)
Anti-infection

>  <Form> (3,673)
sodium salt

>  <URL> (3,673)
http://selleckchem.com/products/sulfadiMethoxine-sodium.html

>  <CAS Number> (3,673)
1037-50-9

$$$$
S5099 4-Aminophenylarsonic acid.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    5.5892    1.3978    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    1.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5892    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4800    2.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4002    1.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
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  2  7  1  0  0  0  0
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  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,674)
3674

>  <Formula> (3,674)
C6H8AsNO3

>  <MolWeight> (3,674)
217.05422

>  <Item Name> (3,674)
4-Aminophenylarsonic acid

>  <Catalog Number> (3,674)
S5099

>  <Synonyms> (3,674)
Arsanilic acid, p-arsanilic acid

>  <Target> (3,674)
Anti-infection

>  <Form> (3,674)
free base

>  <URL> (3,674)
http://selleckchem.com/products/4-aminophenylarsonic-acid.html

>  <CAS Number> (3,674)
98-50-0

$$$$
S5200 Diaveridine.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8587    2.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0719    2.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8587    0.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2851    2.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6535    0.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4957    2.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2851    0.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    0.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2177    2.7978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9307    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  4  7  2  0  0  0  0
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  6 10  2  0  0  0  0
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 10 15  1  0  0  0  0
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 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,675)
3675

>  <Formula> (3,675)
C13H16N4O2

>  <MolWeight> (3,675)
260.29174

>  <Item Name> (3,675)
Diaveridine

>  <Catalog Number> (3,675)
S5200

>  <Synonyms> (3,675)
AI3-23935, CCRIS-3784

>  <Target> (3,675)
DHFR

>  <Form> (3,675)
free base

>  <URL> (3,675)
http://selleckchem.com/products/diaveridine.html

>  <CAS Number> (3,675)
5355-16-8

$$$$
S5201 Acetylisovaleryltylosin Tartrate.cdx
csChFnd80/10101813032D

 85 87  0  0  0  0  0  0  0  0999 V2000
   13.5799   10.1507    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6447   11.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1852   10.8096    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7599    9.4576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7411    8.4276    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1306    8.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3321    7.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4137    9.1627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4238   10.1527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0615   11.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3668   11.5315    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5978   10.4475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2837    9.2103    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6977    9.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    8.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   10.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    9.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    8.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    9.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8821   11.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0630   12.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8225    9.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0349   10.2059    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3597    9.5134    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3169    8.0486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.4946    7.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8432    8.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0783    7.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3788    8.2488    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.4319    9.8002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.6443   10.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8468    9.8059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,676)
3676

>  <Formula> (3,676)
C57H93NO25

>  <MolWeight> (3,676)
1192.34002

>  <Item Name> (3,676)
Acetylisovaleryltylosin Tartrate

>  <Catalog Number> (3,676)
S5201

>  <Synonyms> (3,676)
AK105039

>  <Target> (3,676)
Anti-infection

>  <Form> (3,676)
tartrate

>  <URL> (3,676)
http://selleckchem.com/products/acetylisovaleryltylosin-tartrate.html

>  <CAS Number> (3,676)
63428-13-7

$$$$
S5202 Quinocetone.cdx
csChFnd80/10101813032D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,677)
3677

>  <Formula> (3,677)
C18H14N2O3

>  <MolWeight> (3,677)
306.31536

>  <Item Name> (3,677)
Quinocetone

>  <Catalog Number> (3,677)
S5202

>  <Synonyms> (3,677)
N/A

>  <Target> (3,677)
Anti-infection

>  <Form> (3,677)
free base

>  <URL> (3,677)
http://selleckchem.com/products/quinocetone.html

>  <CAS Number> (3,677)
81810-66-4

$$$$
S5206 Benzylpenicillin potassiuM.cdx
csChFnd80/10101813032D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,678)
3678

>  <Formula> (3,678)
C16H17KN2O4S

>  <MolWeight> (3,678)
372.48048

>  <Item Name> (3,678)
Benzylpenicillin potassium

>  <Catalog Number> (3,678)
S5206

>  <Synonyms> (3,678)
Penicillin G potassium

>  <Target> (3,678)
Anti-infection

>  <Form> (3,678)
potassium salt

>  <URL> (3,678)
http://selleckchem.com/products/benzylpenicillin-potassium.html

>  <CAS Number> (3,678)
113-98-4

$$$$
S5208 Ciprofloxacin hydrochloride hydrate.cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (3,679)
3679

>  <Formula> (3,679)
C17H21ClFN3O4

>  <MolWeight> (3,679)
385.8177432

>  <Item Name> (3,679)
Ciprofloxacin hydrochloride hydrate

>  <Catalog Number> (3,679)
S5208

>  <Synonyms> (3,679)
Ciloxan, Ceprimax, Oftacilox

>  <Target> (3,679)
Anti-infection

>  <Form> (3,679)
hydrochloride hydrate

>  <URL> (3,679)
http://selleckchem.com/products/ciprofloxacin-hydrochloride-hydrate.html

>  <CAS Number> (3,679)
86393-32-0

$$$$
S5209 Enoxacin Sesquihydrate.cdx
csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.0541    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    2.0994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0541    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    2.0994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4819    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    4.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    4.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6439    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4819    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    6.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6439    4.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    2.0994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6982    4.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    4.8912    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9054    4.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6982    6.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7092    0.4160    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    8.4790    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
  5 24  1  0  0  0  0
A   23
?1.5H2O?
M  END
>  <Mol_ID> (3,680)
3680

>  <Formula> (3,680)
C15H17FN4O3R

>  <MolWeight> (3,680)
320.3188832

>  <Item Name> (3,680)
Enoxacin Sesquihydrate

>  <Catalog Number> (3,680)
S5209

>  <Synonyms> (3,680)
Enoxacin hydrate

>  <Target> (3,680)
Anti-infection

>  <Form> (3,680)
sesquihydrate

>  <URL> (3,680)
http://selleckchem.com/products/enoxacin-sesquihydrate.html

>  <CAS Number> (3,680)
84294-96-2

$$$$
S5210 Sulfamethazine Sodium Salt.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,681)
3681

>  <Formula> (3,681)
C12H13N4NaO2S

>  <MolWeight> (3,681)
300.31199

>  <Item Name> (3,681)
Sulfamethazine Sodium Salt

>  <Catalog Number> (3,681)
S5210

>  <Synonyms> (3,681)
Sulfadimethyldiazine Sodium Salt

>  <Target> (3,681)
Anti-infection

>  <Form> (3,681)
sodium salt 

>  <URL> (3,681)
http://selleckchem.com/products/sulfamethazine-sodium-salt.html

>  <CAS Number> (3,681)
1981-58-4

$$$$
S5211 4-Aminosalicylic acid.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.1858    2.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4849    3.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5860    2.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1121    1.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1003    3.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2216    1.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3486    3.5863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    2.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,682)
3682

>  <Formula> (3,682)
C7H7NO3

>  <MolWeight> (3,682)
153.13538

>  <Item Name> (3,682)
4-Aminosalicylic acid

>  <Catalog Number> (3,682)
S5211

>  <Synonyms> (3,682)
para-aminosalicylic acid, Aminosalicylic acid, 4-aminosalicylate

>  <Target> (3,682)
Anti-infection

>  <Form> (3,682)
free base

>  <URL> (3,682)
http://selleckchem.com/products/4-aminosalicylic-acid.html

>  <CAS Number> (3,682)
65-49-6

$$$$
S5212 Imidazolidinyl Urea.cdx
csChFnd80/10101813032D

 27 28  0  0  0  0  0  0  0  0999 V2000
    3.5537    2.3555    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2950    2.9025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4090    0.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7662    3.0555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936    1.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9969    4.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0922    0.6747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4522    0.0289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9766    2.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6446    4.6587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1839    3.0537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9766    0.9508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4030    2.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6080    3.0456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8126    2.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0330    3.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2536    2.3500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.5056    2.8844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
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 22 24  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,683)
3683

>  <Formula> (3,683)
C11H16N8O8

>  <MolWeight> (3,683)
388.29354

>  <Item Name> (3,683)
Imidazolidinyl Urea

>  <Catalog Number> (3,683)
S5212

>  <Synonyms> (3,683)
Imidurea

>  <Target> (3,683)
Anti-infection

>  <Form> (3,683)
free base

>  <URL> (3,683)
http://selleckchem.com/products/imidazolidinyl-urea.html

>  <CAS Number> (3,683)
39236-46-9

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/10101813032D

 40 45  0  0  0  0  0  0  0  0999 V2000
    0.0108    2.1093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2287    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5845    1.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2395    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6419    9.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2834    8.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1559    7.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7952    9.9058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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1334298-90-6

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Estrogen/progestogen Receptor

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free base

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1365888-06-7

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free base

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http://selleckchem.com/products/sr-18292.html

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2095432-55-4

$$$$
IWP-O1.cdx
csChFnd80/10101813032D

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Wnt/beta-catenin

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free base

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2074607-48-8

$$$$
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4-acetylaminophenylacetic acid

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Immunology & Inflammation related

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free base

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18699-02-0

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M  END
>  <Mol_ID> (3,689)
3689

>  <Formula> (3,689)
C17H15NO5

>  <MolWeight> (3,689)
313.3047

>  <Item Name> (3,689)
Benorylate
Benorylate

>  <Catalog Number> (3,689)
S5043

>  <Synonyms> (3,689)
Benorilate, Benoral, Benortan

>  <Target> (3,689)
Immunology & Inflammation related

>  <Form> (3,689)
free base

>  <URL> (3,689)
http://selleckchem.com/products/benorylate.html

>  <CAS Number> (3,689)
5003-48-5

$$$$
S5045 Nomilin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,690)
3690

>  <Formula> (3,690)
C28H34O9

>  <MolWeight> (3,690)
514.56416

>  <Item Name> (3,690)
Nomilin

>  <Catalog Number> (3,690)
S5045

>  <Synonyms> (3,690)
N/A

>  <Target> (3,690)
Others

>  <Form> (3,690)
free base

>  <URL> (3,690)
http://selleckchem.com/products/nomilin.html

>  <CAS Number> (3,690)
1063-77-0

$$$$
S5052 Granisetron.cdx
csChFnd80/10101813032D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,691)
3691

>  <Formula> (3,691)
C18H24N4O

>  <MolWeight> (3,691)
312.40936

>  <Item Name> (3,691)
Granisetron

>  <Catalog Number> (3,691)
S5052

>  <Synonyms> (3,691)
Sancuso, Kevatril, Granisetronum, Sustol

>  <Target> (3,691)
5-HT Receptor

>  <URL> (3,691)
http://selleckchem.com/products/granisetron.html

>  <CAS Number> (3,691)
109889-09-0

$$$$
S5058 Revaprazan Hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,692)
3692

>  <Formula> (3,692)
C22H24ClFN4

>  <MolWeight> (3,692)
398.9041632

>  <Item Name> (3,692)
Revaprazan Hydrochloride

>  <Catalog Number> (3,692)
S5058

>  <Synonyms> (3,692)
YH1885

>  <Target> (3,692)
Proton Pump

>  <URL> (3,692)
http://selleckchem.com/products/revaprazan-hydrochloride.html

>  <CAS Number> (3,692)
178307-42-1

$$$$
S5062 Daclatasvir Digydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,693)
3693

>  <Formula> (3,693)
C40H52Cl2N8O6

>  <MolWeight> (3,693)
811.79688

>  <Item Name> (3,693)
Daclatasvir Digydrochloride

>  <Catalog Number> (3,693)
S5062

>  <Synonyms> (3,693)
N/A

>  <Target> (3,693)
HCV Protease

>  <Form> (3,693)
dihydrochloride 

>  <URL> (3,693)
http://selleckchem.com/products/daclatasvir-digydrochloride.html

>  <CAS Number> (3,693)
1009119-65-6

$$$$
S5066 Pramipexole dihydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,694)
3694

>  <Formula> (3,694)
C10H19Cl2N3S

>  <MolWeight> (3,694)
284.24896

>  <Item Name> (3,694)
Pramipexole dihydrochloride

>  <Catalog Number> (3,694)
S5066

>  <Synonyms> (3,694)
N/A

>  <Target> (3,694)
Dopamine Receptor

>  <Form> (3,694)
dihydrochloride 

>  <URL> (3,694)
http://selleckchem.com/products/pramipexole-dihydrochloride.html

>  <CAS Number> (3,694)
104632-25-9

$$$$
S5074 Argatroban Monohydrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,695)
3695

>  <Formula> (3,695)
C23H38N6O6S

>  <MolWeight> (3,695)
526.64942

>  <Item Name> (3,695)
Argatroban Monohydrate

>  <Catalog Number> (3,695)
S5074

>  <Synonyms> (3,695)
Argatroban hydrate, Argipidine

>  <Target> (3,695)
Thrombin

>  <URL> (3,695)
http://selleckchem.com/products/argatroban-monohydrate.html

>  <CAS Number> (3,695)
141396-28-3

$$$$
S5075 Acotiamide.cdx
csChFnd80/10101813032D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,696)
3696

>  <Formula> (3,696)
C21H30N4O5S

>  <MolWeight> (3,696)
450.5517

>  <Item Name> (3,696)
Acotiamide

>  <Catalog Number> (3,696)
S5075

>  <Synonyms> (3,696)
Acofide

>  <Target> (3,696)
AChR

>  <Form> (3,696)
free base

>  <URL> (3,696)
http://selleckchem.com/products/acotiamide.html

>  <CAS Number> (3,696)
185106-16-5

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/10101813032D

 34 35  0  0  0  0  0  0  0  0999 V2000
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monohydrate

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http://selleckchem.com/products/regorafenib-monohydrate.html

>  <CAS Number> (3,697)
1019206-88-2

$$$$
S5079 Sitagliptin.cdx
csChFnd80/10101813032D

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MK-0431

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DPP-4

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free base

>  <URL> (3,698)
http://selleckchem.com/products/sitagliptin.html

>  <CAS Number> (3,698)
486460-32-6

$$$$
S5084 Carbazochrome.cdx
csChFnd80/10101813032D

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>  <Formula> (3,699)
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Carbazochrome

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Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

>  <Target> (3,699)
Others

>  <Form> (3,699)
free base

>  <URL> (3,699)
http://selleckchem.com/products/carbazochrome.html

>  <CAS Number> (3,699)
69-81-8

$$$$
S5092 Febantel.cdx
csChFnd80/10101813032D

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Febantel

>  <Catalog Number> (3,700)
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Rintal, Combotel, Oratel, Bay Vh 5757, Negabot Plus

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Anti-infection

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free base

>  <URL> (3,700)
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>  <CAS Number> (3,700)
58306-30-2

$$$$
S5093 Rafoxanide.cdx
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 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,701)
3701

>  <Formula> (3,701)
C19H11Cl2I2NO3

>  <MolWeight> (3,701)
626.01048

>  <Item Name> (3,701)
Rafoxanide

>  <Catalog Number> (3,701)
S5093

>  <Synonyms> (3,701)
Disalan, Ranide, Flukanide, Bovanide

>  <Target> (3,701)
Anti-infection

>  <Form> (3,701)
free base

>  <URL> (3,701)
http://selleckchem.com/products/rafoxanide.html

>  <CAS Number> (3,701)
22662-39-1

$$$$
S5100 Pralidoxime Iodide.cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.4173    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    1.3798    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4173    3.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2020    4.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6477    0.2516    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,702)
3702

>  <Formula> (3,702)
C7H9IN2O

>  <MolWeight> (3,702)
264.06363

>  <Item Name> (3,702)
Pralidoxime Iodide

>  <Catalog Number> (3,702)
S5100

>  <Synonyms> (3,702)
2-PAM

>  <Target> (3,702)
AChR

>  <Form> (3,702)
iodide salt

>  <URL> (3,702)
http://selleckchem.com/products/pralidoxime-lodide.html

>  <CAS Number> (3,702)
94-63-3

$$$$
S5214 Imidocarb dipropionate.cdx
csChFnd80/10101813032D

 36 37  0  0  0  0  0  0  0  0999 V2000
    7.0655    4.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    6.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    4.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    4.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    5.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    6.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    7.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    6.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    4.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4864    3.3317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8558    3.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5558    4.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6191    5.2935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9084    0.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4885    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4885    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
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  6  7  2  0  0  0  0
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 11 15  1  0  0  0  0
  7 11  1  0  0  0  0
  4  5  1  0  0  0  0
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 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
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 23 24  1  0  0  0  0
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 18 22  1  0  0  0  0
  1 16  1  0  0  0  0
 27 28  1  0  0  0  0
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 27 30  2  0  0  0  0
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 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  2  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (3,703)
3703

>  <Formula> (3,703)
C25H32N6O5

>  <MolWeight> (3,703)
496.55878

>  <Item Name> (3,703)
Imidocarb dipropionate

>  <Catalog Number> (3,703)
S5214

>  <Synonyms> (3,703)
N/A

>  <Target> (3,703)
Anti-infection

>  <Form> (3,703)
dipropionate

>  <URL> (3,703)
http://selleckchem.com/products/Imidocarb-dipropionate.html

>  <CAS Number> (3,703)
55750-06-6

$$$$
S5220 D-Pantethine.cdx
csChFnd80/10101813032D

 36 35  0  0  0  0  0  0  0  0999 V2000
   26.3487    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.1363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3487    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9238    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.1363    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2611    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7736    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8611    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6611    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4990    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0741    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2865    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4368    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
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 10 12  1  0  0  0  0
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 31 35  1  0  0  0  0
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M  END
>  <Mol_ID> (3,704)
3704

>  <Formula> (3,704)
C22H42N4O8S2

>  <MolWeight> (3,704)
554.72088

>  <Item Name> (3,704)
D-Pantethine

>  <Catalog Number> (3,704)
S5220

>  <Synonyms> (3,704)
Bis-pantethine, Pantetina, Pantomin, Pantosin

>  <Target> (3,704)
Vitamin

>  <Form> (3,704)
free base

>  <URL> (3,704)
http://selleckchem.com/products/d-pantethine.html

>  <CAS Number> (3,704)
16816-67-4

$$$$
S5236 ¦Â-Estradiol 17-Acetate.cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3484    2.7998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3855    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1159    2.1114    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,705)
3705

>  <Formula> (3,705)
C20H26O3

>  <MolWeight> (3,705)
314.41864

>  <Item Name> (3,705)
¦Â-Estradiol 17-Acetate

>  <Catalog Number> (3,705)
S5236

>  <Synonyms> (3,705)
N/A

>  <Target> (3,705)
Others

>  <Form> (3,705)
free base

>  <URL> (3,705)
http://selleckchem.com/products/beta-estradiol-17-acetate.html

>  <CAS Number> (3,705)
1743-60-8

$$$$
S5249 Coptisine chloride.cdx
csChFnd80/10101813032D

 25 29  0  0  0  0  0  0  0  0999 V2000
    5.7918    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1543    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    2.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167    7.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    0.2675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7607    4.4677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7607    6.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5835    5.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5867    1.4888    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,706)
3706

>  <Formula> (3,706)
C19H14ClNO4

>  <MolWeight> (3,706)
355.77176

>  <Item Name> (3,706)
Coptisine chloride

>  <Catalog Number> (3,706)
S5249

>  <Synonyms> (3,706)
Q-100696, NSC-119754

>  <Target> (3,706)
Others

>  <Form> (3,706)
chloride 

>  <URL> (3,706)
http://selleckchem.com/products/coptisine-chloride.html

>  <CAS Number> (3,706)
6020-18-4

$$$$
S5304 2-Acetylphenothiazine.cdx
csChFnd80/10101813032D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  2  0  0  0  0
  8 12  1  0  0  0  0
  8 10  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,707)
3707

>  <Formula> (3,707)
C14H11NOS

>  <MolWeight> (3,707)
241.30824

>  <Item Name> (3,707)
2-Acetylphenothiazine (ML171)

>  <Catalog Number> (3,707)
S5304

>  <Synonyms> (3,707)
2-APT

>  <Target> (3,707)
NADPH-oxidase

>  <Form> (3,707)
free base

>  <URL> (3,707)
http://selleckchem.com/products/2-acetylphenothiazine-ml171.html

>  <CAS Number> (3,707)
6631-94-3

$$$$
S5305 2-Bromo-N-carbamoyl-3-methylbutanamide.cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,708)
3708

>  <Formula> (3,708)
C6H11BrN2O2

>  <MolWeight> (3,708)
223.06774

>  <Item Name> (3,708)
Bromisoval

>  <Catalog Number> (3,708)
S5305

>  <Synonyms> (3,708)
bromovalerylurea, Isobromyl, Bromaral, BRN 1773255, 2-Bromo-N-carbamoyl-3-methylbutanamide

>  <Target> (3,708)
Others

>  <Form> (3,708)
free base

>  <URL> (3,708)
http://selleckchem.com/products/bromisoval.html

>  <CAS Number> (3,708)
496-67-3

$$$$
S5309 Propyphenazone.cdx
csChFnd80/10101813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.2068    2.4611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    2.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0072    3.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0145    1.3301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1076    3.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0953    1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3473    3.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5689    4.9107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3540    1.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5776    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7076    3.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6954    1.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4779    3.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875    0.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7583    3.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3280    5.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,709)
3709

>  <Formula> (3,709)
C14H18N2O

>  <MolWeight> (3,709)
230.30552

>  <Item Name> (3,709)
Propyphenazone (4-Isopropylantipyrine)

>  <Catalog Number> (3,709)
S5309

>  <Synonyms> (3,709)
Isopropylantipyrine, Isopropyrine

>  <Target> (3,709)
Others

>  <Form> (3,709)
free base

>  <URL> (3,709)
http://selleckchem.com/products/propyphenazone.html

>  <CAS Number> (3,709)
479-92-5

$$$$
BGB-3111.cdx
csChFnd80/10101813032D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.7440    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7440    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9565    1.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1689    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1689    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9565    4.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5316    4.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3813    1.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5938    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8062    1.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0187    2.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0187    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8062    4.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5938    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3853    6.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0159    6.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3159    5.2622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2526    4.2218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4464    7.7536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4257    7.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1346    8.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7571    6.6877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    5.1159    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1006    6.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083    6.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1389    4.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    3.6906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18  7  2  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 23 17  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (3,710)
3710

>  <Formula> (3,710)
C24H25N5O3

>  <MolWeight> (3,710)
431.487

>  <Item Name> (3,710)
Btk inhibitor 2

>  <Catalog Number> (3,710)
S8542

>  <Synonyms> (3,710)
N/A

>  <Target> (3,710)
BTK

>  <Form> (3,710)
free base

>  <URL> (3,710)
http://selleckchem.com/products/btk-inhibitor-2.html

>  <CAS Number> (3,710)
1558036-85-3

$$$$
kira6.cdx
csChFnd80/10101813032D

 38 42  0  0  0  0  0  0  0  0999 V2000
    8.4870    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.1660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.2660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.1660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   15.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.9660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.5660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5746    2.4116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4072    3.7431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8358    2.9937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6378    1.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2281    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,711)
3711

>  <Formula> (3,711)
C28H25F3N6O

>  <MolWeight> (3,711)
518.5329096

>  <Item Name> (3,711)
kira6

>  <Catalog Number> (3,711)
S8658

>  <Synonyms> (3,711)
N/A

>  <Target> (3,711)
Others

>  <URL> (3,711)
http://selleckchem.com/products/kira6.html

>  <CAS Number> (3,711)
1589527-65-0

$$$$
S4827 Manganese chloride.cdx
csChFnd80/10101813032D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
>  <Mol_ID> (3,712)
3712

>  <Formula> (3,712)
Cl2Mn

>  <MolWeight> (3,712)
125.844049

>  <Item Name> (3,712)
Manganese chloride

>  <Catalog Number> (3,712)
S4827

>  <Synonyms> (3,712)
N/A

>  <Target> (3,712)
Others

>  <Form> (3,712)
free base

>  <URL> (3,712)
http://selleckchem.com/products/manganese-chloride.html

>  <CAS Number> (3,712)
7773-01-5

$$$$
S4851 Tafluprost.cdx
csChFnd80/10101813032D

 34 35  0  0  0  0  0  0  0  0999 V2000
    2.1424    2.2755    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 20  4  1  0  0  0  0
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 14  7  1  0  0  0  0
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 17  7  1  0  0  0  0
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 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
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 31 25  1  0  0  0  0
 30 26  2  0  0  0  0
 32 30  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (3,713)
3713

>  <Formula> (3,713)
C25H34F2O5

>  <MolWeight> (3,713)
452.5312664

>  <Item Name> (3,713)
Tafluprost

>  <Catalog Number> (3,713)
S4851

>  <Synonyms> (3,713)
AFP-168

>  <Target> (3,713)
Others

>  <URL> (3,713)
http://selleckchem.com/products/tafluprost.html

>  <CAS Number> (3,713)
209860-87-7

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.9401    3.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3255    2.3595    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3318    1.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5684    2.0426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3263    3.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2995    4.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1360    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2837    4.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8846    4.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2282    6.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8291    6.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0863    5.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7427    3.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1418    3.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9709    7.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3145    8.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0572    9.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4008   10.9870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4563    9.7006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5801    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.8263    1.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 14  9  1  0  0  0  0
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 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,714)
3714

>  <Formula> (3,714)
C18H13BrN2O4S2

>  <MolWeight> (3,714)
465.34082

>  <Item Name> (3,714)
Skp2 inhibitor C1 (SKPin C1)

>  <Catalog Number> (3,714)
S8652

>  <Synonyms> (3,714)
N/A

>  <Target> (3,714)
CDK

>  <URL> (3,714)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

>  <CAS Number> (3,714)
432001-69-9

$$$$
SNS-314.cdx
csChFnd80/10101813032D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.1148    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    2.4623    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3272    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2309    4.3233    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5552    5.2179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3026    2.8146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3560    4.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7446    4.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0536    7.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6650    7.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8162    6.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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  6 10  1  0  0  0  0
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 12 13  1  0  0  0  0
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 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,715)
3715

>  <Formula> (3,715)
C18H15ClN6OS2

>  <MolWeight> (3,715)
430.9343

>  <Item Name> (3,715)
SNS-314 Mesylate

>  <Catalog Number> (3,715)
S8699

>  <Synonyms> (3,715)
N/A

>  <Target> (3,715)
Aurora Kinase

>  <URL> (3,715)
http://selleckchem.com/products/sns-314.html

>  <CAS Number> (3,715)
1057249-41-8

$$$$
DIPRIVAN (propofol).cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,716)
3716

>  <Formula> (3,716)
C12H18O

>  <MolWeight> (3,716)
178.27072

>  <Item Name> (3,716)
Propofol

>  <Catalog Number> (3,716)
S2023

>  <Synonyms> (3,716)
N/A

>  <Target> (3,716)
GABA Receptor

>  <URL> (3,716)
http://selleckchem.com/products/propofol-diprivan.html

>  <CAS Number> (3,716)
2078-54-8

$$$$
S4862 Squalene.cdx
csChFnd80/10101813032D

 30 29  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,717)
3717

>  <Formula> (3,717)
C30H50

>  <MolWeight> (3,717)
410.718

>  <Item Name> (3,717)
Squalene

>  <Catalog Number> (3,717)
S4862

>  <Synonyms> (3,717)
Spinacene, Supraene, trans-Squalene

>  <Target> (3,717)
Others

>  <Form> (3,717)
free base

>  <URL> (3,717)
http://selleckchem.com/products/squalene.html

>  <CAS Number> (3,717)
 111-02-4

$$$$
S4941 Farnesol.cdx
csChFnd80/10101813032D

 16 15  0  0  0  0  0  0  0  0999 V2000
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,718)
3718

>  <Formula> (3,718)
C15H26O

>  <MolWeight> (3,718)
222.36634

>  <Item Name> (3,718)
Farnesol

>  <Catalog Number> (3,718)
S4941

>  <Synonyms> (3,718)
N/A

>  <Target> (3,718)
Others

>  <Form> (3,718)
free base

>  <URL> (3,718)
http://selleckchem.com/products/farnesol.html

>  <CAS Number> (3,718)
4602-84-0

$$$$
S4949 Nonanoic acid.cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,719)
3719

>  <Formula> (3,719)
C9H18O2

>  <MolWeight> (3,719)
158.23802

>  <Item Name> (3,719)
Nonanoic acid

>  <Catalog Number> (3,719)
s4949

>  <Synonyms> (3,719)
pelargonic acid, Nonoic acid

>  <Target> (3,719)
Others

>  <Form> (3,719)
free base

>  <URL> (3,719)
http://selleckchem.com/products/nonanoic-acid.html

>  <CAS Number> (3,719)
112-05-0

$$$$
S4957 Linalool.cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1622    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,720)
3720

>  <Formula> (3,720)
C10H18O

>  <MolWeight> (3,720)
154.24932

>  <Item Name> (3,720)
Linalool

>  <Catalog Number> (3,720)
S4957

>  <Synonyms> (3,720)
Phantol

>  <Target> (3,720)
NMDAR

>  <Form> (3,720)
free base

>  <URL> (3,720)
http://selleckchem.com/products/linalool.html

>  <CAS Number> (3,720)
78-70-6

$$$$
S4960 Jasmone.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2544    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6544    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,721)
3721

>  <Formula> (3,721)
C11H16O

>  <MolWeight> (3,721)
164.24414

>  <Item Name> (3,721)
Jasmone

>  <Catalog Number> (3,721)
S4960

>  <Synonyms> (3,721)
N/A

>  <Target> (3,721)
Others

>  <URL> (3,721)
http://selleckchem.com/products/jasmone.html

>  <CAS Number> (3,721)
488-10-8

$$$$
S4970 Nerol.cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,722)
3722

>  <Formula> (3,722)
C10H18O

>  <MolWeight> (3,722)
154.24932

>  <Item Name> (3,722)
Nerol

>  <Catalog Number> (3,722)
S4970

>  <Synonyms> (3,722)
Cis-Geraniol, Neryl alcohol

>  <Target> (3,722)
Others

>  <Form> (3,722)
free base

>  <URL> (3,722)
http://selleckchem.com/products/nerol.html

>  <CAS Number> (3,722)
106-25-2

$$$$
S5123 Dihydrocholesterol.cdx
csChFnd80/10101813032D

 33 36  0  0  0  0  0  0  0  0999 V2000
    7.2663    3.5100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0583    2.8129    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2663    4.8923    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5766    3.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8442    3.5100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0583    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5766    5.3252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0583    5.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3759    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6302    2.8129    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8442    4.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8442    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0394    6.6655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6302    1.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4222    3.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6302    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3975    6.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1077    7.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    2.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3112    5.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    1.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6755    6.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5771    5.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1023    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9653    5.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6302    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0492    4.2554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    6.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363    2.0765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    2.0765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9766    5.3252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 32  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 29  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 30  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 31  1  6  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
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  7 33  1  6  0  0  0
M  END
>  <Mol_ID> (3,723)
3723

>  <Formula> (3,723)
C27H48O

>  <MolWeight> (3,723)
388.66942

>  <Item Name> (3,723)
Dihydrocholesterol

>  <Catalog Number> (3,723)
S5123

>  <Synonyms> (3,723)
Beta-Cholestanol, Zymostanol, 5alpha-Cholestanol

>  <Target> (3,723)
Others

>  <Form> (3,723)
free base

>  <URL> (3,723)
http://selleckchem.com/products/dihydrocholesterol.html

>  <CAS Number> (3,723)
80-97-7

$$$$
BMS-935177.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,724)
3724

>  <Formula> (3,724)
C31H26N4O3

>  <MolWeight> (3,724)
502.56314

>  <Item Name> (3,724)
BMS-935177

>  <Catalog Number> (3,724)
S8348

>  <Synonyms> (3,724)
N/A

>  <Target> (3,724)
BTK,Trk receptor,c-RET

>  <Form> (3,724)
free base

>  <URL> (3,724)
http://selleckchem.com/products/bms-935177.html

>  <CAS Number> (3,724)
1231889-53-4

$$$$
KPT-9274.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,725)
3725

>  <Formula> (3,725)
C35H29F3N4O3

>  <MolWeight> (3,725)
610.6249696

>  <Item Name> (3,725)
KPT-9274

>  <Catalog Number> (3,725)
S8444

>  <Synonyms> (3,725)
N/A

>  <Target> (3,725)
NAMPT,PAK

>  <Form> (3,725)
free base

>  <URL> (3,725)
http://selleckchem.com/products/kpt-9274.html

>  <CAS Number> (3,725)
1643913-93-2

$$$$
S4818 Chloral hydrate.cdx
csChFnd80/10101813032D

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    2.3846    1.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1722    1.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,726)
3726

>  <Formula> (3,726)
C2H3Cl3O2

>  <MolWeight> (3,726)
165.40302

>  <Item Name> (3,726)
Chloral hydrate

>  <Catalog Number> (3,726)
S4818

>  <Form> (3,726)
free base

>  <CAS Number> (3,726)
302-17-0

$$$$
>  <Mol_ID> (3,727)
3727

>  <Item Name> (3,727)
Diastase

>  <Catalog Number> (3,727)
S4820

>  <Synonyms> (3,727)
N/A

>  <Target> (3,727)
Others

>  <URL> (3,727)
http://selleckchem.com/products/diastase.html

>  <CAS Number> (3,727)
9000-92-4

$$$$
S4828 Sodium carbonate.cdx
csChFnd80/10101813032D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  2  0  0  0  0
  1  2  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <Mol_ID> (3,728)
3728

>  <Formula> (3,728)
CNa2O3

>  <MolWeight> (3,728)
105.98844

>  <Item Name> (3,728)
Sodium carbonate

>  <Catalog Number> (3,728)
S4828

>  <Synonyms> (3,728)
Disodium carbonate, Soda Ash, Carbonic acid disodium salt

>  <Target> (3,728)
Others

>  <URL> (3,728)
http://selleckchem.com/products/sodium-carbonate.html

>  <CAS Number> (3,728)
497-19-8

$$$$
S4841 Laurocapram.cdx
csChFnd80/10101813032D

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free base

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http://selleckchem.com/products/laurocapram.html

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59227-89-3

$$$$
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csChFnd80/10101813032D

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Titanium tetrafluoride

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N/A

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Others

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salt

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http://selleckchem.com/products/titanium-tetrafluoride.html

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7783-63-3

$$$$
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csChFnd80/10101813032D

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Agmatine sulfate

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S4962

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N/A

>  <Target> (3,731)
NOS

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http://selleckchem.com/products/agmatine-sulfate.html

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2482-00-0

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csChFnd80/10101813032D

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N/A

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Bcr-Abl

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free base

>  <URL> (3,732)
http://selleckchem.com/products/asciminib-abl001.html

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1492952-76-7

$$$$
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M  END
>  <Mol_ID> (3,735)
3735

>  <Formula> (3,735)
C16H20N4O3S

>  <MolWeight> (3,735)
348.42

>  <Item Name> (3,735)
GLPG1837

>  <Catalog Number> (3,735)
S8698

>  <Synonyms> (3,735)
ABBV-974

>  <Target> (3,735)
CFTR

>  <Form> (3,735)
free base

>  <URL> (3,735)
http://selleckchem.com/products/glpg1837.html

>  <CAS Number> (3,735)
1654725-02-6

$$$$
S5018 Mebhydrolin napadisylate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,736)
3736

>  <Formula> (3,736)
C48H48N4O6S2

>  <MolWeight> (3,736)
841.04792

>  <Item Name> (3,736)
Mebhydrolin napadisylate

>  <Catalog Number> (3,736)
S5018

>  <Synonyms> (3,736)
Diazoline, Diazolin, Incidal, Omeril

>  <Target> (3,736)
Histamine Receptor

>  <Form> (3,736)
salt

>  <URL> (3,736)
http://selleckchem.com/products/mebhydrolin-napadisylate.html

>  <CAS Number> (3,736)
6153-33-9

$$$$
S5027 Mebeverine Hydrochloride.cdx
csChFnd80/10101813032D

 32 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,737)
3737

>  <Formula> (3,737)
C25H36ClNO5

>  <MolWeight> (3,737)
466.01004

>  <Item Name> (3,737)
Mebeverine Hydrochloride

>  <Catalog Number> (3,737)
S5027

>  <Synonyms> (3,737)
Duspatalin Hydrochloride, Duspatal Hydrochloride, Colofac Hydrochloride

>  <Target> (3,737)
Others

>  <Form> (3,737)
hydrochloride 

>  <URL> (3,737)
http://selleckchem.com/products/mebeverine-hydrochlo.html

>  <CAS Number> (3,737)
 2753-45-9

$$$$
S5028 Dalfampridine4-Aminopyridine.cdx
csChFnd80/10101813032D

  7  7  0  0  0  0  0  0  0  0999 V2000
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  3  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,738)
3738

>  <Formula> (3,738)
C5H6N2

>  <MolWeight> (3,738)
94.11454

>  <Item Name> (3,738)
4-Aminopyridine

>  <Catalog Number> (3,738)
S5028

>  <Synonyms> (3,738)
fampridine, dalfampridine

>  <Target> (3,738)
Potassium Channel

>  <Form> (3,738)
free base

>  <URL> (3,738)
http://selleckchem.com/products/aminopyridine.html

>  <CAS Number> (3,738)
504-24-5

$$$$
S4972 Choline Glycerophosphate.cdx
csChFnd80/10101813032D

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   10.8738    1.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,739)
3739

>  <Formula> (3,739)
C8H20NO6P

>  <MolWeight> (3,739)
257.221261

>  <Item Name> (3,739)
Choline Glycerophosphate

>  <Catalog Number> (3,739)
S4972

>  <Synonyms> (3,739)
Glycerophosphorylcholine

>  <Target> (3,739)
Others

>  <URL> (3,739)
http://selleckchem.com/products/choline-glycerophosphate.html

>  <CAS Number> (3,739)
28319-77-9

$$$$
S5029 Etofylline.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6381    3.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,740)
3740

>  <Formula> (3,740)
C9H12N4O3

>  <MolWeight> (3,740)
224.21658

>  <Item Name> (3,740)
Etofylline

>  <Catalog Number> (3,740)
S5029

>  <Synonyms> (3,740)
Aethophyllinum, Cordalin, Oxyphylline

>  <Target> (3,740)
Others

>  <URL> (3,740)
http://selleckchem.com/products/etofylline.html

>  <CAS Number> (3,740)
 519-37-9

$$$$
S5032 Mephenesin.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4231    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,741)
3741

>  <Formula> (3,741)
C10H14O3

>  <MolWeight> (3,741)
182.21636

>  <Item Name> (3,741)
Mephenesin

>  <Catalog Number> (3,741)
S5032

>  <Synonyms> (3,741)
Decontractyl, Cresoxydiol, Memphenesin, Mephedan

>  <Target> (3,741)
NMDAR

>  <Form> (3,741)
free base

>  <URL> (3,741)
http://selleckchem.com/products/mephenesin.html

>  <CAS Number> (3,741)
59-47-2

$$$$
S5034 Melitracen hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,742)
3742

>  <Formula> (3,742)
C21H26ClN

>  <MolWeight> (3,742)
327.89084

>  <Item Name> (3,742)
Melitracen hydrochloride

>  <Catalog Number> (3,742)
S5034

>  <Synonyms> (3,742)
Thymeol hydrochloride

>  <Target> (3,742)
Dopamine Receptor

>  <Form> (3,742)
hydrochloride 

>  <URL> (3,742)
http://selleckchem.com/products/melitracen-hydrochloride.html

>  <CAS Number> (3,742)
10563-70-9

$$$$
S5040 Tiamulin.cdx
csChFnd80/10101813032D

 35 37  0  0  0  0  0  0  0  0999 V2000
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   12.0931    1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,743)
3743

>  <Formula> (3,743)
C28H47NO4S

>  <MolWeight> (3,743)
493.74208

>  <Item Name> (3,743)
Tiamulin

>  <Catalog Number> (3,743)
S5040

>  <Synonyms> (3,743)
N/A

>  <Target> (3,743)
Others

>  <Form> (3,743)
free base

>  <URL> (3,743)
http://selleckchem.com/products/tiamulin.html

>  <CAS Number> (3,743)
55297-95-5

$$$$
S5042 Bevantolol hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,744)
3744

>  <Formula> (3,744)
C20H28ClNO4

>  <MolWeight> (3,744)
381.89362

>  <Item Name> (3,744)
Bevantolol hydrochloride

>  <Catalog Number> (3,744)
S5042

>  <Synonyms> (3,744)
NC-1400 hydrochloride

>  <Target> (3,744)
Adrenergic Receptor

>  <Form> (3,744)
hydrochloride 

>  <URL> (3,744)
http://selleckchem.com/products/bevantolol-hydrochloride.html

>  <CAS Number> (3,744)
42864-78-8

$$$$
S5044 Isoxepac.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,745)
3745

>  <Formula> (3,745)
C16H12O4

>  <MolWeight> (3,745)
268.26408

>  <Item Name> (3,745)
Isoxepac

>  <Catalog Number> (3,745)
S5044

>  <Synonyms> (3,745)
N/A

>  <Target> (3,745)
Immunology & Inflammation related

>  <Form> (3,745)
free base

>  <URL> (3,745)
http://selleckchem.com/products/isoxepac.html

>  <CAS Number> (3,745)
55453-87-7

$$$$
S5046 Clonixin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,746)
3746

>  <Formula> (3,746)
C13H11ClN2O2

>  <MolWeight> (3,746)
262.69164

>  <Item Name> (3,746)
Clonixin

>  <Catalog Number> (3,746)
S5046

>  <Synonyms> (3,746)
Clonixic acid

>  <Target> (3,746)
Immunology & Inflammation related

>  <Form> (3,746)
free base

>  <URL> (3,746)
http://selleckchem.com/products/clonixin.html

>  <CAS Number> (3,746)
 17737-65-4

$$$$
PHTPP.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,747)
3747

>  <Formula> (3,747)
C20H11F6N3O

>  <MolWeight> (3,747)
423.3112592

>  <Item Name> (3,747)
PHTPP

>  <Catalog Number> (3,747)
S8686

>  <Synonyms> (3,747)
N/A

>  <Target> (3,747)
Estrogen/progestogen Receptor

>  <Form> (3,747)
free base

>  <URL> (3,747)
http://selleckchem.com/products/phtpp.html

>  <CAS Number> (3,747)
805239-56-9

$$$$
RAF709.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,748)
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>  <Formula> (3,748)
C28H29F3N4O4

>  <MolWeight> (3,748)
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>  <Item Name> (3,748)
RAF709

>  <Catalog Number> (3,748)
S8690

>  <Synonyms> (3,748)
N/A

>  <Target> (3,748)
Raf

>  <Form> (3,748)
free base

>  <URL> (3,748)
http://selleckchem.com/products/raf709.html

>  <CAS Number> (3,748)
1628838-42-5

$$$$
ML221.cdx
csChFnd80/10101813032D

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ML221

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S8695

>  <Synonyms> (3,749)
N/A

>  <Target> (3,749)
Others

>  <URL> (3,749)
http://selleckchem.com/products/ml221.html

>  <CAS Number> (3,749)
877636-42-5

$$$$
S5073 Donepezil.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,750)
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>  <Formula> (3,750)
C24H29NO3

>  <MolWeight> (3,750)
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>  <Item Name> (3,750)
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S5073

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Aricept, Donepezilo

>  <Target> (3,750)
AChR

>  <Form> (3,750)
free base

>  <URL> (3,750)
http://selleckchem.com/products/donepezil.html

>  <CAS Number> (3,750)
120014-06-4

$$$$
S5081 Ceforanide.cdx
csChFnd80/10101813032D

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3751

>  <Formula> (3,751)
C20H21N7O6S2

>  <MolWeight> (3,751)
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>  <Item Name> (3,751)
Ceforanide

>  <Catalog Number> (3,751)
S5081

>  <Synonyms> (3,751)
N/A

>  <Target> (3,751)
Anti-infection

>  <Form> (3,751)
free base

>  <URL> (3,751)
http://selleckchem.com/products/ceforanide.html

>  <CAS Number> (3,751)
60925-61-3

$$$$
S5082VitaminK2.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,752)
3752

>  <Formula> (3,752)
C31H40O2

>  <MolWeight> (3,752)
444.6481

>  <Item Name> (3,752)
 Vitamin K2

>  <Catalog Number> (3,752)
S5082

>  <Synonyms> (3,752)
menaquinone

>  <Target> (3,752)
Vitamin

>  <Form> (3,752)
free base

>  <URL> (3,752)
http://selleckchem.com/products/vitamin-k2.html

>  <CAS Number> (3,752)
863-61-6

$$$$
S5088 Labetalone hydrochloride.cdx
csChFnd80/10101813032D

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   14.5762    2.7763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7175    4.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7833    2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7833    0.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8586    5.1805    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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 13  3  1  0  0  0  0
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  4  9  1  0  0  0  0
 12  5  1  0  0  0  0
 14  5  1  0  0  0  0
  8  6  1  0  0  0  0
 11  6  2  0  0  0  0
 10  8  1  0  0  0  0
  9 12  2  0  0  0  0
 18 10  1  0  0  0  0
 15 17  1  0  0  0  0
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 22 20  2  0  0  0  0
 22 24  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,753)
3753

>  <Formula> (3,753)
C19H23ClN2O3

>  <MolWeight> (3,753)
362.85052

>  <Item Name> (3,753)
Labetalone hydrochloride

>  <Catalog Number> (3,753)
S5088

>  <Synonyms> (3,753)
Benzoic amide

>  <Target> (3,753)
Adrenergic Receptor

>  <Form> (3,753)
hydrochloride 

>  <URL> (3,753)
http://selleckchem.com/products/labetalone-hydrochloride.html

>  <CAS Number> (3,753)
96441-14-4

$$$$
S5097 Methotrexate disodium.cdx
csChFnd80/10101813032D

 35 35  0  0  0  0  0  0  0  0999 V2000
   21.7944    4.8951    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   18.2073    7.0895    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   15.7940    6.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5816    4.2059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7940    4.9059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0065    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2189    4.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
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 17 21  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,754)
3754

>  <Formula> (3,754)
C20H20N8Na2O5

>  <MolWeight> (3,754)
498.40294

>  <Item Name> (3,754)
Methotrexate disodium

>  <Catalog Number> (3,754)
S5097

>  <Synonyms> (3,754)
N/A

>  <Target> (3,754)
DHFR,Dehydrogenase

>  <Form> (3,754)
disodium salt

>  <URL> (3,754)
http://selleckchem.com/products/methotrexate-disodium.html

>  <CAS Number> (3,754)
7413-34-5

$$$$
S5222 Coluracetam.cdx
csChFnd80/10101813032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    5.8263    2.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0454    2.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6072    2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6072    0.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4176    2.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6366    4.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (3,755)
3755

>  <Formula> (3,755)
C19H23N3O3

>  <MolWeight> (3,755)
341.40422

>  <Item Name> (3,755)
Coluracetam

>  <Catalog Number> (3,755)
S5222

>  <Synonyms> (3,755)
MKC-231, BCI-540

>  <Target> (3,755)
Others

>  <Form> (3,755)
free base

>  <URL> (3,755)
http://selleckchem.com/products/coluracetam.html

>  <CAS Number> (3,755)
135463-81-9

$$$$
S5232 Alectinib hydrochloride.cdx
csChFnd80/10101813032D

 37 41  0  0  0  0  0  0  0  0999 V2000
   13.4556    5.2894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6993    3.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1242    3.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4556    3.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0249    1.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  3  0  0  0  0
 11 18  1  0  0  0  0
  6 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 21 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
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 35 36  1  0  0  0  0
 15 35  1  0  0  0  0
M  END
>  <Mol_ID> (3,756)
3756

>  <Formula> (3,756)
C30H35ClN4O2

>  <MolWeight> (3,756)
519.0775

>  <Item Name> (3,756)
Alectinib hydrochloride

>  <Catalog Number> (3,756)
S5232

>  <Synonyms> (3,756)
AF802 hydrochloride

>  <Target> (3,756)
ALK

>  <Form> (3,756)
hydrochloride 

>  <URL> (3,756)
http://selleckchem.com/products/alectinib-hydrochloride.html

>  <CAS Number> (3,756)
1256589-74-8

$$$$
S5245 Raltegravir potassium.cdx
csChFnd80/10101813032D

 33 34  0  0  0  0  0  0  0  0999 V2000
   10.8839    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6201    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3333    1.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,757)
3757

>  <Formula> (3,757)
C20H20FKN6O5

>  <MolWeight> (3,757)
482.5067032

>  <Item Name> (3,757)
Raltegravir potassium

>  <Catalog Number> (3,757)
S5245

>  <Synonyms> (3,757)
N/A

>  <Target> (3,757)
Integrase,HIV Protease

>  <Form> (3,757)
potassium salt

>  <URL> (3,757)
http://selleckchem.com/products/raltegravir-potassium.html

>  <CAS Number> (3,757)
871038-72-1

$$$$
S5302 6-Methoxy-2-naphthoic acid.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,758)
3758

>  <Formula> (3,758)
C12H10O3

>  <MolWeight> (3,758)
202.206

>  <Item Name> (3,758)
6-Methoxy-2-naphthoic acid

>  <Catalog Number> (3,758)
S5302

>  <Synonyms> (3,758)
6-Methoxy-2-naphthalenecarboxylic acid

>  <Target> (3,758)
NMDAR

>  <Form> (3,758)
free base

>  <URL> (3,758)
http://selleckchem.com/products/6-methoxy-2-naphthoic-acid.html

>  <CAS Number> (3,758)
2471-70-7

$$$$
S5306 Forchlorfenuron.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,759)
3759

>  <Formula> (3,759)
C12H10ClN3O

>  <MolWeight> (3,759)
247.6803

>  <Item Name> (3,759)
 Forchlorfenuron

>  <Catalog Number> (3,759)
S5306

>  <Synonyms> (3,759)
N/A

>  <Target> (3,759)
Others

>  <Form> (3,759)
free base

>  <URL> (3,759)
http://selleckchem.com/products/forchlorfenuron.html

>  <CAS Number> (3,759)
68157-60-8

$$$$
S5307 2'-deoxy-2'-fluoro-2'-C-methyluridine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,760)
3760

>  <Formula> (3,760)
C10H13FN2O5

>  <MolWeight> (3,760)
260.2190232

>  <Item Name> (3,760)
2'-deoxy-2'-fluoro-2'-C-methyluridine

>  <Catalog Number> (3,760)
S5307

>  <Synonyms> (3,760)
2'-deoxy-2'-fluoro-2'-C-methyluridine

>  <Target> (3,760)
HCV Protease

>  <Form> (3,760)
free base

>  <URL> (3,760)
http://selleckchem.com/products/psi-6206-ro-2433-gs-331007.html

>  <CAS Number> (3,760)
863329-66-2

$$$$
S5403 Ombitasvir(ABT-267).cdx
csChFnd80/10101813032D

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 29 33  1  0  0  0  0
 29 34  2  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 37  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 41  2  0  0  0  0
 38 42  2  0  0  0  0
M  END
>  <Mol_ID> (3,764)
3764

>  <Formula> (3,764)
C28H40N4O8S2

>  <MolWeight> (3,764)
624.7692

>  <Item Name> (3,764)
Ibutamoren mesylate

>  <Catalog Number> (3,764)
S1151

>  <Form> (3,764)
mesylate

>  <CAS Number> (3,764)
159752-10-0

$$$$
S3880 Schisantherin A.cdx
csChFnd80/10101813032D

 39 43  0  0  0  0  0  0  0  0999 V2000
    5.3900    4.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0001    4.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7542    6.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6463    6.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4003    2.3949    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7595    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1337    6.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660    7.1595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0570    2.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3186    0.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4674    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6315    0.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7443    1.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0087    7.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3087    8.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
  9 16  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 19  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 20  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
 21 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  2  0  0  0  0
 25 32  1  0  0  0  0
 27 29  1  0  0  0  0
 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  2  0  0  0  0
 36 37  1  0  0  0  0
  6 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (3,765)
3765

>  <Formula> (3,765)
C30H32O9

>  <MolWeight> (3,765)
536.56968

>  <Item Name> (3,765)
Schisantherin A

>  <Catalog Number> (3,765)
S3880

>  <Synonyms> (3,765)
Gomisin C, Schisanwilsonin H, Arisanschinin K

>  <Target> (3,765)
OX Receptor

>  <Form> (3,765)
free base

>  <URL> (3,765)
http://selleckchem.com/products/schisantherin-a.html

>  <CAS Number> (3,765)
58546-56-8

$$$$
S5035 6-AMinopenicillanic acid.cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.3862    2.8551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    4.2489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7221    2.4310    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9891    2.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9891    4.2489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7221    4.7048    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5412    3.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1719    1.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7422    4.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7648    2.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4950    0.8253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2341    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1550    5.6297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,766)
3766

>  <Formula> (3,766)
C8H12N2O3S

>  <MolWeight> (3,766)
216.25748

>  <Item Name> (3,766)
 6-AMinopenicillanic acid

>  <Catalog Number> (3,766)
S5035

>  <Synonyms> (3,766)
N/A

>  <Target> (3,766)
Anti-infection

>  <Form> (3,766)
free base

>  <URL> (3,766)
http://selleckchem.com/products/6-aminopenicillanic-acid.html

>  <CAS Number> (3,766)
551-16-6

$$$$
S5037 Phenazine methosulfate.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
   10.8217    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8217    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6093    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.0341    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6093    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0341    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3968    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6093    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2466    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3968    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2466    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1844    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1844    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9719    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9719    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.9101    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  5  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,767)
3767

>  <Formula> (3,767)
C14H14N2O4S

>  <MolWeight> (3,767)
306.33696

>  <Item Name> (3,767)
Phenazine methosulfate

>  <Catalog Number> (3,767)
S5037

>  <Synonyms> (3,767)
N-Methylphenazonium methosulfate, 5-Methylphenazinium methyl sulfate

>  <Target> (3,767)
Others

>  <Form> (3,767)
methosulfate

>  <URL> (3,767)
http://selleckchem.com/products/phenazine-methosulfate.html

>  <CAS Number> (3,767)
299-11-6

$$$$
S5048 Fosfomycin Disodium.cdx
csChFnd80/10101813032D

 10  8  0  0  0  0  0  0  0  0999 V2000
    3.8045    1.8981    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.6090    1.2191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9938    3.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8744    2.8034    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7948    0.9394    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2083    1.2053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9204    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1465    2.8314    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.1954    0.9099    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  1  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,768)
3768

>  <Formula> (3,768)
C3H5Na2O4P

>  <MolWeight> (3,768)
182.022701

>  <Item Name> (3,768)
Fosfomycin Disodium

>  <Catalog Number> (3,768)
S5048

>  <Synonyms> (3,768)
Phosphonemycin Disodium

>  <Target> (3,768)
Anti-infection

>  <URL> (3,768)
http://selleckchem.com/products/fosfomycin-disodium.html

>  <CAS Number> (3,768)
26016-99-9

$$$$
S5051 Pipemidic acid.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 12  2  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
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 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,769)
3769

>  <Formula> (3,769)
C14H17N5O3

>  <MolWeight> (3,769)
303.31648

>  <Item Name> (3,769)
Pipemidic acid

>  <Catalog Number> (3,769)
S5051

>  <Synonyms> (3,769)
Acido pipemidico 

>  <Target> (3,769)
Anti-infection

>  <Form> (3,769)
free base

>  <URL> (3,769)
http://selleckchem.com/products/pipemidic-acid.html

>  <CAS Number> (3,769)
51940-44-4

$$$$
S5053 Imazalil.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8476    2.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    2.1016    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0587    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8476    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    0.6997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2761    2.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0587    0.7036    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0507    4.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.1990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4242    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2761    4.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4733    4.9179    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607    5.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1267    6.3603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7223    6.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2883    5.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 10 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,770)
3770

>  <Formula> (3,770)
C14H14Cl2N2O

>  <MolWeight> (3,770)
297.17976

>  <Item Name> (3,770)
Imazalil

>  <Catalog Number> (3,770)
S5053

>  <Synonyms> (3,770)
Enilconazole, chloramizole

>  <Target> (3,770)
Others

>  <Form> (3,770)
free base

>  <URL> (3,770)
http://selleckchem.com/products/imazalil.html

>  <CAS Number> (3,770)
35554-44-0

$$$$
S5056 Dinoprost tromethamine.cdx
csChFnd80/10101813032D

 33 32  0  0  0  0  0  0  0  0999 V2000
    2.2107    4.1880    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0738    2.7935    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9302    4.7497    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4231    4.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7059    2.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1192    1.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320    6.1175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4231    6.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1432    1.2132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4483    2.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6418    6.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4938    1.3710    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8624    6.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2877    6.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2229    3.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2229    4.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6229    3.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2229    2.0760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8229    3.4760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0105    5.5760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3229    2.2636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0105    1.3760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  8  1  6  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  6  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  6  0  0  0
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 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
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 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (3,771)
3771

>  <Formula> (3,771)
C24H45NO8

>  <MolWeight> (3,771)
475.616

>  <Item Name> (3,771)
Dinoprost tromethamine

>  <Catalog Number> (3,771)
S5056

>  <Synonyms> (3,771)
Dinolytic, PGF2-alpha tham, Zinoprost, Prostin F2 alpha, Dinoprost Trometamol

>  <Target> (3,771)
Others

>  <Form> (3,771)
tromethamine

>  <URL> (3,771)
http://selleckchem.com/products/.html

>  <CAS Number> (3,771)
38562-01-5

$$$$
S4880 Cefathiamidine.cdx
csChFnd80/10101813032D

 32 33  0  0  0  0  0  0  0  0999 V2000
   10.3323    2.7736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3323    4.2759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4622    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7414    2.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7414    4.2759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4729    4.9792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7182    2.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4622    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7514    1.7836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7514    5.2659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7224    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9306    2.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2417    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6666    0.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3991    4.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1369    2.7765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092    5.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368    3.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3524    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    5.5311    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.5633    2.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3524    0.6729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 32  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (3,772)
3772

>  <Formula> (3,772)
C19H28N4O6S2

>  <MolWeight> (3,772)
472.57882

>  <Item Name> (3,772)
Cefathiamidine

>  <Catalog Number> (3,772)
S4880

>  <Synonyms> (3,772)
N/A

>  <Target> (3,772)
Anti-infection

>  <Form> (3,772)
free base

>  <URL> (3,772)
http://selleckchem.com/products/cefathiamidine.html

>  <CAS Number> (3,772)
33075-00-2

$$$$
S4889 Perospirone hydrochloride.cdx
csChFnd80/10101813032D

 33 36  0  0  0  0  0  0  0  0999 V2000
   14.3852    2.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2000    3.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9853    2.2554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2165    1.1295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5399    2.9714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8985    4.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2859    1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2844    3.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5399    1.5717    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.5679    3.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9318    5.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8844    3.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2665    5.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1924    2.2466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7971    2.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6906    3.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5841    4.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7644    5.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2011    7.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  7 12  1  0  0  0  0
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 17 18  1  0  0  0  0
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 28 30  1  0  0  0  0
  5  9  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 23 25  1  0  0  0  0
 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (3,773)
3773

>  <Formula> (3,773)
C23H31ClN4O2S

>  <MolWeight> (3,773)
463.03584

>  <Item Name> (3,773)
Perospirone hydrochloride

>  <Catalog Number> (3,773)
S4889

>  <Synonyms> (3,773)
SM-9018 hydrochloride

>  <Target> (3,773)
5-HT Receptor,Dopamine Receptor

>  <Form> (3,773)
hydrochloride 

>  <URL> (3,773)
http://selleckchem.com/products/perospirone-hydrochloride.html

>  <CAS Number> (3,773)
129273-38-7

$$$$
S4890 Bifendate.cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.8550    7.1236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    4.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    7.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727    7.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    4.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3255    7.3642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2810    7.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727    2.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3846    4.6506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477    2.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    9.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3013    9.6293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4905    8.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (3,774)
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>  <MolWeight> (3,774)
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>  <Item Name> (3,774)
Bifendate

>  <Catalog Number> (3,774)
S4890

>  <Synonyms> (3,774)
N/A

>  <Target> (3,774)
Reverse Transcriptase

>  <Form> (3,774)
free base

>  <URL> (3,774)
http://selleckchem.com/products/bifendate.html

>  <CAS Number> (3,774)
73536-69-3

$$$$
S4999 Avermectin B1.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,775)
3775

>  <Formula> (3,775)
C48H72O14

>  <MolWeight> (3,775)
873.07688

>  <Item Name> (3,775)
Avermectin B1

>  <Catalog Number> (3,775)
S4999

>  <Synonyms> (3,775)
abamectin

>  <Target> (3,775)
Anti-infection

>  <URL> (3,775)
http://selleckchem.com/products/avermectin.html

>  <CAS Number> (3,775)
71751-41-2

$$$$
S5060 Metadoxine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,776)
3776

>  <Formula> (3,776)
C13H18N2O6

>  <MolWeight> (3,776)
298.29182

>  <Item Name> (3,776)
 Metadoxine

>  <Catalog Number> (3,776)
S5060

>  <Synonyms> (3,776)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (3,776)
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salt

>  <URL> (3,776)
http://selleckchem.com/products/metadoxine.html

>  <CAS Number> (3,776)
74536-44-0

$$$$
S5223 Phenylpiracetam.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,777)
3777

>  <Formula> (3,777)
C12H14N2O2

>  <MolWeight> (3,777)
218.25176

>  <Item Name> (3,777)
Phenylpiracetam

>  <Catalog Number> (3,777)
S5223

>  <Synonyms> (3,777)
Phenotropil, Carphedon, 4-Phenylpiracetam

>  <Target> (3,777)
Others

>  <Form> (3,777)
free base

>  <URL> (3,777)
http://selleckchem.com/products/phenylpiracetam.html

>  <CAS Number> (3,777)
77472-70-9

$$$$
S5224 Adrafinil.cdx
csChFnd80/10101813032D

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    0.0000    6.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2745    6.3265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
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  6 12  2  0  0  0  0
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M  END
>  <Mol_ID> (3,778)
3778

>  <Formula> (3,778)
C15H15NO3S

>  <MolWeight> (3,778)
289.3495

>  <Item Name> (3,778)
Adrafinil

>  <Catalog Number> (3,778)
S5224

>  <Synonyms> (3,778)
benzhydrylsulfinylacetohydroxamic acid, adrafinyl, CRL-40028

>  <Target> (3,778)
Others

>  <Form> (3,778)
free base

>  <URL> (3,778)
http://selleckchem.com/products/adrafinil.html

>  <CAS Number> (3,778)
63547-13-7

$$$$
S5225 Boldenone.cdx
csChFnd80/10101813032D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,779)
3779

>  <Formula> (3,779)
C19H26O2

>  <MolWeight> (3,779)
286.40854

>  <Item Name> (3,779)
Boldenone

>  <Catalog Number> (3,779)
S5225

>  <Synonyms> (3,779)
Dehydrotestosterone

>  <Target> (3,779)
Others

>  <Form> (3,779)
free base

>  <URL> (3,779)
http://selleckchem.com/products/boldenone.html

>  <CAS Number> (3,779)
846-48-0

$$$$
S5226 L-carnosine.cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.7721    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,780)
3780

>  <Formula> (3,780)
C9H14N4O3

>  <MolWeight> (3,780)
226.23246

>  <Item Name> (3,780)
L-carnosine

>  <Catalog Number> (3,780)
S5226

>  <Synonyms> (3,780)
Karnozin

>  <Target> (3,780)
Others

>  <Form> (3,780)
free base

>  <URL> (3,780)
http://selleckchem.com/products/l-carnosine.html

>  <CAS Number> (3,780)
305-84-0

$$$$
S5227 Erythromycin thiocyanate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,781)
3781

>  <Formula> (3,781)
C38H68N2O13S

>  <MolWeight> (3,781)
793.01712

>  <Item Name> (3,781)
Erythromycin thiocyanate

>  <Catalog Number> (3,781)
S5227

>  <Synonyms> (3,781)
N/A

>  <Target> (3,781)
Anti-infection

>  <Form> (3,781)
thiocyanate 

>  <URL> (3,781)
http://selleckchem.com/products/erythromycin-thiocyanate.html

>  <CAS Number> (3,781)
7704-67-8

$$$$
S5228 Minoxidil sulphate.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
 13  3  2  0  0  0  0
  4  6  1  0  0  0  0
  9  4  1  0  0  0  0
  6  5  2  0  0  0  0
 10  5  1  0  0  0  0
  7  8  1  0  0  0  0
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 17 16  1  0  0  0  0
 19 17  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,782)
3782

>  <Formula> (3,782)
C9H15N5O4S

>  <MolWeight> (3,782)
289.3115

>  <Item Name> (3,782)
Minoxidil sulphate

>  <Catalog Number> (3,782)
S5228

>  <Synonyms> (3,782)
U-58838

>  <Target> (3,782)
Others

>  <Form> (3,782)
free base

>  <URL> (3,782)
http://selleckchem.com/products/minoxidil-sulphate.html

>  <CAS Number> (3,782)
83701-22-8

$$$$
S5229 Isosorbide dinitrate.cdx
csChFnd80/10101813032D

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    4.1387    3.3835    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,783)
3783

>  <Formula> (3,783)
C6H8N2O8

>  <MolWeight> (3,783)
236.13632

>  <Item Name> (3,783)
Isosorbide dinitrate

>  <Catalog Number> (3,783)
S5229

>  <Synonyms> (3,783)
Sorbide nitrate, Sorbidnitrate, Isordil, Nitrosorbide

>  <Target> (3,783)
Others

>  <Form> (3,783)
free base

>  <URL> (3,783)
http://selleckchem.com/products/isosorbide-dinitrate.html

>  <CAS Number> (3,783)
87-33-2

$$$$
S5230 Elubiol.cdx
csChFnd80/10101813032D

 38 42  0  0  0  0  0  0  0  0999 V2000
   21.4456    2.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2227    1.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7977    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0205    2.0824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7977    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1929    2.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3704    1.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5956    2.1177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5956    3.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1929    3.5530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5967    4.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7590    3.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  4  2  1  0  0  0  0
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  5  3  2  0  0  0  0
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  5  4  1  0  0  0  0
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  8  5  1  0  0  0  0
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  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 32 31  2  0  0  0  0
 38 37  1  0  0  0  0
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 14 13  1  0  0  0  0
 27 32  1  0  0  0  0
 15 14  2  0  0  0  0
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 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 29 28  1  0  0  0  0
 18 17  1  0  0  0  0
 35 34  1  0  0  0  0
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 30 29  2  0  0  0  0
 36 19  1  6  0  0  0
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 29 20  1  0  0  0  0
 31 30  1  0  0  0  0
 27 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,784)
3784

>  <Formula> (3,784)
C27H30Cl2N4O5

>  <MolWeight> (3,784)
561.4569

>  <Item Name> (3,784)
Elubiol

>  <Catalog Number> (3,784)
S5230

>  <Synonyms> (3,784)
dichlorophenyl imidazoldioxolan

>  <Target> (3,784)
Others

>  <Form> (3,784)
free base

>  <URL> (3,784)
http://selleckchem.com/products/elubiol.html

>  <CAS Number> (3,784)
67914-69-6

$$$$
S5269 J147.cdx
csChFnd80/10101813032D

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  5  6  2  0  0  0  0
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  1  4  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,785)
3785

>  <Formula> (3,785)
C18H17F3N2O2

>  <MolWeight> (3,785)
350.3349896

>  <Item Name> (3,785)
J147

>  <Catalog Number> (3,785)
S5269

>  <Synonyms> (3,785)
N/A

>  <Target> (3,785)
Others

>  <Form> (3,785)
free base

>  <URL> (3,785)
http://selleckchem.com/products/j147.html

>  <CAS Number> (3,785)
1146963-51-0

$$$$
S5273 Canrenone.cdx
csChFnd80/10101813032D

 28 32  0  0  0  0  0  0  0  0999 V2000
    8.4670    4.5554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1590    4.2459    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3253    3.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4299    2.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,786)
3786

>  <Formula> (3,786)
C22H28O3

>  <MolWeight> (3,786)
340.45592

>  <Item Name> (3,786)
Canrenone

>  <Catalog Number> (3,786)
S5273

>  <Synonyms> (3,786)
Aldadiene, SC-9376, RP-11614, 6,7-Dehydro-7¦Á-desthioacetylspironolactone

>  <Target> (3,786)
Others

>  <Form> (3,786)
free base

>  <URL> (3,786)
http://selleckchem.com/products/canrenone.html

>  <CAS Number> (3,786)
976-71-6

$$$$
S5274 GS967.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,787)
3787

>  <Formula> (3,787)
C14H7F6N3O

>  <MolWeight> (3,787)
347.2152992

>  <Item Name> (3,787)
 GS967

>  <Catalog Number> (3,787)
S5274

>  <Synonyms> (3,787)
GS458967

>  <Target> (3,787)
Sodium Channel

>  <Form> (3,787)
free base

>  <URL> (3,787)
http://selleckchem.com/products/gs967.html

>  <CAS Number> (3,787)
1262618-39-2

$$$$
S5275 RAD140.cdx
csChFnd80/10101813032D

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 10  9  2  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (3,788)
3788

>  <Formula> (3,788)
C20H16ClN5O2

>  <MolWeight> (3,788)
393.82634

>  <Item Name> (3,788)
RAD140

>  <Catalog Number> (3,788)
S5275

>  <Synonyms> (3,788)
testolone

>  <Target> (3,788)
Androgen Receptor

>  <Form> (3,788)
free base

>  <URL> (3,788)
http://selleckchem.com/products/rad140.html

>  <CAS Number> (3,788)
1182367-47-0

$$$$
S5282 Lactitol monohydrate.cdx
csChFnd80/10101813032D

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    8.4871    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 14 15  1  6  0  0  0
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 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  1  0  0  0
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 20 21  1  0  0  0  0
 20 22  1  1  0  0  0
 22 23  1  0  0  0  0
 13 21  1  0  0  0  0
 13  8  1  1  0  0  0
M  END
>  <Mol_ID> (3,789)
3789

>  <Formula> (3,789)
C12H26O12

>  <MolWeight> (3,789)
362.32764

>  <Item Name> (3,789)
Lactitol monohydrate

>  <Catalog Number> (3,789)
S5282

>  <Synonyms> (3,789)
N/A

>  <Target> (3,789)
Others

>  <Form> (3,789)
hydrate 

>  <URL> (3,789)
http://selleckchem.com/products/lactitol-monohydrate.html

>  <CAS Number> (3,789)
81025-04-9

$$$$
S5283 TMB-PS.cdx
csChFnd80/10101813032D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3127    1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2929    3.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 10  2  0  0  0  0
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  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
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 10 14  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,790)
3790

>  <Formula> (3,790)
C19H26N2O3S

>  <MolWeight> (3,790)
362.48634

>  <Item Name> (3,790)
TMB-PS

>  <Catalog Number> (3,790)
S5283

>  <Synonyms> (3,790)
TMBZ-PS, TetraMethyl BisPhenol S, Bis-(2,6dimethyl-4-hydroxyphenyl)-sulfone

>  <Target> (3,790)
Others

>  <Form> (3,790)
free base

>  <URL> (3,790)
http://selleckchem.com/products/tmb-ps.html

>  <CAS Number> (3,790)
102062-36-2

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10101813032D

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    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  1  0  0  0
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,791)
3791

>  <Formula> (3,791)
C10H16N5O8P

>  <MolWeight> (3,791)
365.236501

>  <Item Name> (3,791)
Adenosine 5'-monophosphate monohydrate

>  <Catalog Number> (3,791)
S5284

>  <Synonyms> (3,791)
5'-Adenylic acid, 5'-AMP

>  <Target> (3,791)
AMPK

>  <Form> (3,791)
hydrate 

>  <URL> (3,791)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

>  <CAS Number> (3,791)
18422-05-4

$$$$
S5308 7-(Diethylamino)coumarin-3-carboxylic acid.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.0068    4.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0068    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2232    4.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867    4.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4470    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3466    2.0836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6670    2.0836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3466    0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1847    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
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  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
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 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,792)
3792

>  <Formula> (3,792)
C14H15NO4

>  <MolWeight> (3,792)
261.2732

>  <Item Name> (3,792)
7-(Diethylamino)coumarin-3-carboxylic acid

>  <Catalog Number> (3,792)
S5308

>  <Synonyms> (3,792)
7-DCCA

>  <Target> (3,792)
Others

>  <Form> (3,792)
free base

>  <URL> (3,792)
http://selleckchem.com/products/7-diethylamino-coumarin-3-carboxylic-acid.html

>  <CAS Number> (3,792)
50995-74-9 

$$$$
S5310 4,4'-DIMETHOXYBENZIL.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8607    2.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0786    2.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1573    0.0192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,793)
3793

>  <Formula> (3,793)
C16H14O4

>  <MolWeight> (3,793)
270.27996

>  <Item Name> (3,793)
4,4'-DIMETHOXYBENZIL

>  <Catalog Number> (3,793)
S5310

>  <Synonyms> (3,793)
p-Anisil

>  <Target> (3,793)
Others

>  <Form> (3,793)
free base

>  <URL> (3,793)
http://selleckchem.com/products/dimethoxybenzil.html

>  <CAS Number> (3,793)
1226-42-2

$$$$
S5311 Pyridoxal phosphate.cdx
csChFnd80/10101813032D

 17 17  0  0  0  0  0  0  0  0999 V2000
    6.0545    4.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0545    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8327    2.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6209    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230    0.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0351    0.0077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2533    0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4652    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2647    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  2  0  0  0  0
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  1 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,794)
3794

>  <Formula> (3,794)
C8H10NO6P

>  <MolWeight> (3,794)
247.141861

>  <Item Name> (3,794)
Pyridoxal phosphate

>  <Catalog Number> (3,794)
S5311

>  <Synonyms> (3,794)
pyridoxal 5'-phosphate, PAL-P, PLP, Vitamin B6 phosphate

>  <Target> (3,794)
Vitamin

>  <Form> (3,794)
free base

>  <URL> (3,794)
http://selleckchem.com/products/pyridoxal-phosphate.html

>  <CAS Number> (3,794)
54-47-7

$$$$
S5312  Urolithin A.cdx
csChFnd80/10101813032D

 17 19  0  0  0  0  0  0  0  0999 V2000
    6.0494    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8328    4.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    3.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6329    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8245    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0327    6.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2490    5.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4246    1.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,795)
3795

>  <Formula> (3,795)
C13H8O4

>  <MolWeight> (3,795)
228.20022

>  <Catalog Number> (3,795)
S5312

>  <Synonyms> (3,795)
3,8-Dihydroxy Urolithin; 2',7-Dihydroxy-3,4-benzocoumarin

>  <Target> (3,795)
Autophagy

>  <Form> (3,795)
free base

>  <URL> (3,795)
http://selleckchem.com/products/urolithin-a.html

>  <CAS Number> (3,795)
1143-70-0

$$$$
S5315  PRT4165.cdx
csChFnd80/10101813032D

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    2.8000    4.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,796)
3796

>  <Formula> (3,796)
C15H9NO2

>  <MolWeight> (3,796)
235.23746

>  <Item Name> (3,796)
PRT4165

>  <Catalog Number> (3,796)
S5315

>  <Synonyms> (3,796)
N/A

>  <Target> (3,796)
E3 Ligase ,BMI-1

>  <Form> (3,796)
free base

>  <URL> (3,796)
http://selleckchem.com/products/prt4165.html

>  <CAS Number> (3,796)
31083-55-3

$$$$
S5402 Dasabuvir(ABT-333).cdx
csChFnd80/10101813032D

 35 38  0  0  0  0  0  0  0  0999 V2000
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    1.9124    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,797)
3797

>  <Formula> (3,797)
C26H27N3O5S

>  <MolWeight> (3,797)
493.57468

>  <Catalog Number> (3,797)
S5402

>  <Synonyms> (3,797)
N/A

>  <Target> (3,797)
HCV Protease

>  <Form> (3,797)
free base

>  <URL> (3,797)
http://selleckchem.com/products/dasabuvir-abt-333.html

>  <CAS Number> (3,797)
1132935-63-7

$$$$
S4995 Nicotinic acid N-oxide.cdx
csChFnd80/10101813032D

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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,798)
3798

>  <Formula> (3,798)
C6H5NO3

>  <MolWeight> (3,798)
139.1088

>  <Item Name> (3,798)
Nicotinic acid N-oxide

>  <Catalog Number> (3,798)
S4995

>  <Synonyms> (3,798)
Oxiniacic acid, Nicotinic acid 1-oxide

>  <Target> (3,798)
Others

>  <Form> (3,798)
free base

>  <URL> (3,798)
http://selleckchem.com/products/nicotinic-acid-n-oxide.html

>  <CAS Number> (3,798)
2398-81-4

$$$$
S5321 Y15.cdx
csChFnd80/10101813032D

 14 10  0  0  0  0  0  0  0  0999 V2000
    7.1296    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1296    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200    2.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    2.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510    2.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   11.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   10.4001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,799)
3799

>  <Formula> (3,799)
C6H14Cl4N4

>  <MolWeight> (3,799)
284.01416

>  <Item Name> (3,799)
Y15

>  <Catalog Number> (3,799)
S5321

>  <Synonyms> (3,799)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (3,799)
FAK

>  <Form> (3,799)
tetrahydrochloride 

>  <URL> (3,799)
http://selleckchem.com/products/y15.html

>  <CAS Number> (3,799)
4506-66-5

$$$$
S5324 Oxidopamine (hydrobromide).cdx
csChFnd80/10101813032D

 13 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  7 10  1  0  0  0  0
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  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,800)
3800

>  <Formula> (3,800)
C8H12BrNO3

>  <MolWeight> (3,800)
250.08978

>  <Item Name> (3,800)
Oxidopamine (hydrobromide)

>  <Catalog Number> (3,800)
S5324

>  <Synonyms> (3,800)
6-hydroxydopamine; 6-OHDA; 2,4,5-trihydroxyphenethylamine

>  <Target> (3,800)
Dopamine Receptor

>  <Form> (3,800)
hydrobromide 

>  <URL> (3,800)
http://selleckchem.com/products/oxidopamine-hydrobromide.html

>  <CAS Number> (3,800)
636-00-0

$$$$
S5332 Cefquinome sulfate.cdx
csChFnd80/10101813032D

 42 45  0  0  0  0  0  0  0  0999 V2000
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 18 27  1  6  0  0  0
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 25 34  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (3,801)
3801

>  <Formula> (3,801)
C23H26N6O9S3

>  <MolWeight> (3,801)
626.68234

>  <Item Name> (3,801)
Cefquinome sulfate

>  <Catalog Number> (3,801)
S5332

>  <Synonyms> (3,801)
N/A

>  <Target> (3,801)
Anti-infection

>  <URL> (3,801)
http://selleckchem.com/products/cefquinome-sulfate.html

>  <CAS Number> (3,801)
118443-89-3

$$$$
S5474 Dibenzoyl Thiamine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,802)
3802

>  <Formula> (3,802)
C26H26N4O4S

>  <MolWeight> (3,802)
490.57404

>  <Item Name> (3,802)
Dibenzoyl Thiamine

>  <Catalog Number> (3,802)
S5474

>  <Synonyms> (3,802)
Bentiamine|O,S-Dibenzoylthiamine

>  <Target> (3,802)
Vitamin

>  <Form> (3,802)
free base

>  <URL> (3,802)
http://selleckchem.com/products/dibenzoyl-thiamine.html

>  <CAS Number> (3,802)
299-88-7

$$$$
S5483 Trimethobenzamide Hydrochloride.cdx
csChFnd80/10101813032D

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    4.8383    4.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    4.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,803)
3803

>  <Formula> (3,803)
C21H29ClN2O5

>  <MolWeight> (3,803)
424.91836

>  <Item Name> (3,803)
Tribenzagan Hydrochloride

>  <Catalog Number> (3,803)
S5483

>  <Synonyms> (3,803)
Tribenzagan Hydrochloride

>  <Target> (3,803)
Others

>  <Form> (3,803)
hydrochloride 

>  <URL> (3,803)
http://selleckchem.com/products/trimethobenzamide-hydrochloride.html

>  <CAS Number> (3,803)
554-92-7

$$$$
S5484 Rimantadine Hydrochloride.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,804)
3804

>  <Formula> (3,804)
C12H22ClN

>  <MolWeight> (3,804)
215.76278

>  <Item Name> (3,804)
Rimantadine Hydrochloride

>  <Catalog Number> (3,804)
S5484

>  <Synonyms> (3,804)
N/A

>  <Target> (3,804)
DNA/RNA Synthesis

>  <Form> (3,804)
hydrochloride 

>  <URL> (3,804)
http://selleckchem.com/products/rimantadine-hydrochloride.html

>  <CAS Number> (3,804)
1501-84-4

$$$$
S5215 Abacavir.cdx
csChFnd80/10101813032D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,805)
3805

>  <Formula> (3,805)
C14H18N6O

>  <MolWeight> (3,805)
286.33232

>  <Item Name> (3,805)
Abacavir

>  <Catalog Number> (3,805)
S5215

>  <Synonyms> (3,805)
N/A

>  <Target> (3,805)
Reverse Transcriptase

>  <Form> (3,805)
free base

>  <URL> (3,805)
http://selleckchem.com/products/abacavir.html

>  <CAS Number> (3,805)
136470-78-5

$$$$
S5218 Iodixanol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,806)
3806

>  <Formula> (3,806)
C35H44I6N6O15

>  <MolWeight> (3,806)
1550.18188

>  <Item Name> (3,806)
Iodixanol

>  <Catalog Number> (3,806)
S5218

>  <Synonyms> (3,806)
N/A

>  <Target> (3,806)
Others

>  <Form> (3,806)
free base

>  <URL> (3,806)
http://selleckchem.com/products/iodixanol.html

>  <CAS Number> (3,806)
92339-11-2

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/10101813032D

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    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,807)
3807

>  <Formula> (3,807)
C17H21N6O4P

>  <MolWeight> (3,807)
404.360201

>  <Item Name> (3,807)
Ruxolitinib Phosphate

>  <Catalog Number> (3,807)
S5243

>  <Synonyms> (3,807)
INCB018424, INC424

>  <Target> (3,807)
JAK

>  <Form> (3,807)
phosphate 

>  <URL> (3,807)
http://selleckchem.com/products/ruxolitinib-phosphate.html

>  <CAS Number> (3,807)
1092939-17-7

$$$$
S5252 Ozagrel sodium.cdx
csChFnd80/10101813032D

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  4  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,808)
3808

>  <Formula> (3,808)
C13H11N2NaO2

>  <MolWeight> (3,808)
250.22841

>  <Item Name> (3,808)
Ozagrel sodium

>  <Catalog Number> (3,808)
S5252

>  <Synonyms> (3,808)
KCT-0809, Cataclot, Xanbo 

>  <Target> (3,808)
Thrombin

>  <URL> (3,808)
http://selleckchem.com/products/ozagrel-sodium.html

>  <CAS Number> (3,808)
189224-26-8

$$$$
S5253 Cisapride.cdx
csChFnd80/10101813032D

 32 34  0  0  0  0  0  0  0  0999 V2000
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  1  0  0  0
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M  END
>  <Mol_ID> (3,809)
3809

>  <Formula> (3,809)
C23H29ClFN3O4

>  <MolWeight> (3,809)
465.9454632

>  <Item Name> (3,809)
Cisapride

>  <Catalog Number> (3,809)
S5253

>  <Synonyms> (3,809)
Kaudalit, Kinestase, Prepulsid, Presid, Pridesia, Propulsid

>  <Target> (3,809)
5-HT Receptor

>  <URL> (3,809)
http://selleckchem.com/products/cisapride.html

>  <CAS Number> (3,809)
81098-60-4

$$$$
S5257 Doxapram.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,810)
3810

>  <Formula> (3,810)
C24H30N2O2

>  <MolWeight> (3,810)
378.5072

>  <Item Name> (3,810)
Doxapram

>  <Catalog Number> (3,810)
S5257

>  <Synonyms> (3,810)
N/A

>  <Target> (3,810)
Others

>  <Form> (3,810)
free base

>  <URL> (3,810)
http://selleckchem.com/products/doxapram.html

>  <CAS Number> (3,810)
309-29-5

$$$$
S5262 UNC-926.cdx
csChFnd80/10101813032D

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>  <Target> (3,811)
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free base

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http://selleckchem.com/products/unc-926.html

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1184136-10-4

$$$$
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>  <Formula> (3,812)
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Solithromycin

>  <Catalog Number> (3,812)
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>  <Synonyms> (3,812)
CEM-101, OP-1068

>  <Target> (3,812)
Anti-infection

>  <Form> (3,812)
free base

>  <URL> (3,812)
http://selleckchem.com/products/solithromycin.html

>  <CAS Number> (3,812)
760981-83-7

$$$$
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csChFnd80/10101813032D

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Akt

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free base

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http://selleckchem.com/products/sc66.html

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871361-88-5

$$$$
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csChFnd80/10101813032D

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>  <Target> (3,814)
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http://selleckchem.com/products/hthq-1-o-hexyl-2-3-5-trimethylhydroquinone.html

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148081-72-5

$$$$
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CDK

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free base

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161058-83-9

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>  <Mol_ID> (3,816)
3816

>  <Formula> (3,816)
C18H12N2O2

>  <MolWeight> (3,816)
288.30008

>  <Item Name> (3,816)
UK 5099

>  <Catalog Number> (3,816)
S5317

>  <Synonyms> (3,816)
N/A

>  <Target> (3,816)
Others

>  <URL> (3,816)
http://selleckchem.com/products/uk5099.html

>  <CAS Number> (3,816)
56396-35-1

$$$$
S5318 Acacetin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,817)
3817

>  <Formula> (3,817)
C16H12O5

>  <MolWeight> (3,817)
284.26348

>  <Item Name> (3,817)
Acacetin

>  <Catalog Number> (3,817)
S5318

>  <Synonyms> (3,817)
Linarigenin, 5,7-dihydroxy-4'-methoxyflavone, 4'-Methoxyapigenin

>  <Target> (3,817)
Immunology & Inflammation related

>  <Form> (3,817)
free base

>  <URL> (3,817)
http://selleckchem.com/products/acacetin.html

>  <CAS Number> (3,817)
480-44-4

$$$$
S5490 Disopyramide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,818)
3818

>  <Formula> (3,818)
C21H29N3O

>  <MolWeight> (3,818)
339.47446

>  <Item Name> (3,818)
Disopyramide

>  <Catalog Number> (3,818)
S5490

>  <Synonyms> (3,818)
N/A

>  <Target> (3,818)
Sodium Channel

>  <URL> (3,818)
http://selleckchem.com/products/disopyramide.html

>  <CAS Number> (3,818)
3737-09-5

$$$$
AZD1390.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,819)
3819

>  <Formula> (3,819)
C27H32FN5O2

>  <MolWeight> (3,819)
477.5736832

>  <Item Name> (3,819)
AZD1390

>  <Catalog Number> (3,819)
S8680

>  <Synonyms> (3,819)
N/A

>  <Target> (3,819)
ATM/ATR

>  <Form> (3,819)
free base

>  <URL> (3,819)
http://selleckchem.com/products/azd1390.html

>  <CAS Number> (3,819)
2089288-03-7

$$$$
A-804598.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,820)
3820

>  <Formula> (3,820)
C19H17N5

>  <MolWeight> (3,820)
315.37178

>  <Item Name> (3,820)
A-804598

>  <Catalog Number> (3,820)
S8725

>  <Synonyms> (3,820)
N/A

>  <Target> (3,820)
P2 Receptor

>  <Form> (3,820)
free base

>  <URL> (3,820)
http://selleckchem.com/products/a-804598.html

>  <CAS Number> (3,820)
 1125758-85-1

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,821)
3821

>  <Formula> (3,821)
C22H25Cl2FN4O3

>  <MolWeight> (3,821)
483.3633032

>  <Item Name> (3,821)
Gefitinib hydrochloride

>  <Catalog Number> (3,821)
S5098

>  <Synonyms> (3,821)
ZD1839 hydrochloride

>  <Target> (3,821)
EGFR

>  <Form> (3,821)
hydrochloride 

>  <URL> (3,821)
http://selleckchem.com/products/gefitinib-hydrochloride.html

>  <CAS Number> (3,821)
184475-55-6

$$$$
S5233 Fenretinide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,822)
3822

>  <Formula> (3,822)
C26H33NO2

>  <MolWeight> (3,822)
391.54572

>  <Item Name> (3,822)
Fenretinide

>  <Catalog Number> (3,822)
S5233

>  <Synonyms> (3,822)
4-hydroxy(phenyl)retinamide, 4-HPR, MK-4016

>  <Target> (3,822)
Others

>  <Form> (3,822)
free base

>  <URL> (3,822)
http://selleckchem.com/products/fenretinide.html

>  <CAS Number> (3,822)
65646-68-6

$$$$
S5246 Entecavir.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,823)
3823

>  <Formula> (3,823)
C12H15N5O3

>  <MolWeight> (3,823)
277.2792

>  <Item Name> (3,823)
Entecavir

>  <Catalog Number> (3,823)
S5246

>  <Synonyms> (3,823)
N/A

>  <Target> (3,823)
Reverse Transcriptase

>  <Form> (3,823)
free base

>  <URL> (3,823)
http://selleckchem.com/products/entecavir.html

>  <CAS Number> (3,823)
142217-69-4

$$$$
S5250 Darunavir.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,824)
3824

>  <Formula> (3,824)
C27H37N3O7S

>  <MolWeight> (3,824)
547.66358

>  <Item Name> (3,824)
Darunavir

>  <Catalog Number> (3,824)
S5250

>  <Synonyms> (3,824)
TMC114

>  <Target> (3,824)
HIV Protease

>  <Form> (3,824)
free base

>  <URL> (3,824)
http://selleckchem.com/products/darunavir.html

>  <CAS Number> (3,824)
206361-99-1

$$$$
S5261 Ufenamate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,825)
3825

>  <Formula> (3,825)
C18H18F3NO2

>  <MolWeight> (3,825)
337.3362296

>  <Item Name> (3,825)
Ufenamate

>  <Catalog Number> (3,825)
S5261

>  <Synonyms> (3,825)
Butyl flufenamate, Flufenamic acid butyl ester, fenazol

>  <Target> (3,825)
Immunology & Inflammation related

>  <Form> (3,825)
free base

>  <URL> (3,825)
http://selleckchem.com/products/ufenamate.html

>  <CAS Number> (3,825)
67330-25-0

$$$$
S5271 Suloctidil.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,826)
3826

>  <Formula> (3,826)
C20H35NOS

>  <MolWeight> (3,826)
337.563

>  <Item Name> (3,826)
Suloctidil

>  <Catalog Number> (3,826)
S5271

>  <Synonyms> (3,826)
N/A

>  <Target> (3,826)
Others

>  <Form> (3,826)
free base

>  <URL> (3,826)
http://selleckchem.com/products/suloctidil.html

>  <CAS Number> (3,826)
54767-75-8

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,827)
3827

>  <Formula> (3,827)
C23H26ClN

>  <MolWeight> (3,827)
351.91224

>  <Item Name> (3,827)
Fendiline hydrochloride

>  <Catalog Number> (3,827)
S5279

>  <Synonyms> (3,827)
N/A

>  <Target> (3,827)
Calcium Channel,Ras

>  <Form> (3,827)
hydrochloride 

>  <URL> (3,827)
http://selleckchem.com/products/fendiline-hydrochloride.html

>  <CAS Number> (3,827)
13636-18-5

$$$$
S5285 RU58841.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,828)
3828

>  <Formula> (3,828)
C17H18F3N3O3

>  <MolWeight> (3,828)
369.3383296

>  <Item Name> (3,828)
RU58841

>  <Catalog Number> (3,828)
S5285

>  <Synonyms> (3,828)
PSK3841, HMR3841

>  <Target> (3,828)
Androgen Receptor

>  <Form> (3,828)
free base

>  <URL> (3,828)
http://selleckchem.com/products/ru58841.html

>  <CAS Number> (3,828)
154992-24-2

$$$$
S5286 Ramatroban.cdx
csChFnd80/10101813032D

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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,829)
3829

>  <Formula> (3,829)
C21H21FN2O4S

>  <MolWeight> (3,829)
416.4658432

>  <Item Name> (3,829)
Ramatroban

>  <Catalog Number> (3,829)
S5286

>  <Synonyms> (3,829)
BAY u 3405

>  <Target> (3,829)
Thrombin

>  <Form> (3,829)
free base

>  <URL> (3,829)
http://selleckchem.com/products/ramatroban.html

>  <CAS Number> (3,829)
116649-85-5

$$$$
S5289 Ceftezole.cdx
csChFnd80/10101813032D

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.2910    2.9274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7674    2.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5493    0.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9086    2.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8883    5.2490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7674    4.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0056    2.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4307    4.0715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
  2 29  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
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  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
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 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,830)
3830

>  <Formula> (3,830)
C13H12N8O4S3

>  <MolWeight> (3,830)
440.48058

>  <Item Name> (3,830)
Ceftezole

>  <Catalog Number> (3,830)
S5289

>  <Synonyms> (3,830)
Celoslin, Falomesin

>  <Target> (3,830)
Anti-infection

>  <Form> (3,830)
free base

>  <URL> (3,830)
http://selleckchem.com/products/ceftezole.html

>  <CAS Number> (3,830)
26973-24-0

$$$$
S5291 Sulfisomidin.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8305    5.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6175    4.8997    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3166    3.6867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9185    6.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    7.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417    5.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2468    6.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    2.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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 15 17  1  0  0  0  0
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 16 19  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,831)
3831

>  <Formula> (3,831)
C12H14N4O2S

>  <MolWeight> (3,831)
278.33016

>  <Item Name> (3,831)
sulfaisodimidine

>  <Catalog Number> (3,831)
S5291

>  <Synonyms> (3,831)
sulfamethin, sulfaisodimidine

>  <Target> (3,831)
Anti-infection

>  <Form> (3,831)
free base

>  <URL> (3,831)
http://selleckchem.com/products/sulfaisodimidine.html

>  <CAS Number> (3,831)
515-64-0

$$$$
S5292 Diazolidinyl urea.cdx
csChFnd80/10101813032D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.0674    3.0818    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3419    3.6611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.7724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2245    1.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2867    2.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6224    5.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6426    3.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8388    5.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    1.4101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1913    0.7459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6779    2.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,832)
3832

>  <Formula> (3,832)
C8H14N4O7

>  <MolWeight> (3,832)
278.21936

>  <Item Name> (3,832)
Diazolidinyl urea

>  <Catalog Number> (3,832)
S5292

>  <Synonyms> (3,832)
Germall II

>  <Target> (3,832)
Anti-infection

>  <Form> (3,832)
free base

>  <URL> (3,832)
http://selleckchem.com/products/diazolidinyl-urea.html

>  <CAS Number> (3,832)
78491-02-8

$$$$
S5293 Nimustine Hydrochloride.cdx
csChFnd80/10101813032D

 19 18  0  0  0  0  0  0  0  0999 V2000
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   10.9119    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.5237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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  7  8  1  0  0  0  0
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 10 14  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,833)
3833

>  <Formula> (3,833)
C9H14Cl2N6O2

>  <MolWeight> (3,833)
309.15246

>  <Item Name> (3,833)
Nimustine Hydrochloride

>  <Catalog Number> (3,833)
S5293

>  <Synonyms> (3,833)
Nidran hydrochloride

>  <Target> (3,833)
DNA/RNA Synthesis

>  <Form> (3,833)
hydrochloride

>  <URL> (3,833)
http://selleckchem.com/products/nimustine-hydrochloride.html

>  <CAS Number> (3,833)
55661-38-6

$$$$
S5294 Cephalotin acid.cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    9.5798    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5739    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,834)
3834

>  <Formula> (3,834)
C16H16N2O6S2

>  <MolWeight> (3,834)
396.43804

>  <Item Name> (3,834)
Cephalotin acid

>  <Catalog Number> (3,834)
S5294

>  <Synonyms> (3,834)
N/A

>  <Target> (3,834)
Anti-infection

>  <Form> (3,834)
free base

>  <URL> (3,834)
http://selleckchem.com/products/cephalotin-acid.html

>  <CAS Number> (3,834)
153-61-7

$$$$
S5295 Lincomycin Hydrochloride Monohydrate.cdx
csChFnd80/10101813032D

 29 28  0  0  0  0  0  0  0  0999 V2000
    8.8806    4.2899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6526    4.9716    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0885    4.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8604    2.9067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4498    4.2899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6677    6.3748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2962    4.2650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0732    2.2001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6426    2.2101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2823    4.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8906    7.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4649    7.0765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2811    2.8867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5290    4.9465    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0431    0.8018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0595    4.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2923    6.3948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4990    2.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5139    6.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9341    2.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416    4.9064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    2.6663    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8694    3.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5258    6.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5863    1.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5142    2.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5871    4.7065    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  6  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
  7 13  1  0  0  0  0
  7 14  1  6  0  0  0
  8 15  1  1  0  0  0
  8 13  1  0  0  0  0
 16 10  1  6  0  0  0
 10 17  2  0  0  0  0
 13 18  1  6  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  1  0  0  0
 22 23  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,835)
3835

>  <Formula> (3,835)
C18H37ClN2O7S

>  <MolWeight> (3,835)
461.01358

>  <Item Name> (3,835)
Lincomycin Hydrochloride Monohydrate

>  <Catalog Number> (3,835)
S5295

>  <Synonyms> (3,835)
N/A

>  <Target> (3,835)
Anti-infection

>  <Form> (3,835)
hydrochloride, hydrate

>  <URL> (3,835)
http://selleckchem.com/products/lincomycin-hydrochloride-monohydrate.html

>  <CAS Number> (3,835)
7179-49-9

$$$$
S5296 Cephradine monohydrate.cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
    8.7829    2.9324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7860    4.3321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3837    2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9944    2.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3863    4.3358    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0017    5.0287    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3892    1.9504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2078    2.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9879    0.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4010    5.3303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2120    4.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4181    2.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1982    0.1231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7733    0.1344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0480    4.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0609    5.9708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6800    3.6263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7081    5.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4298    7.3226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3393    4.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7226    6.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9853    3.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3686    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4299    5.6860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2953    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  1  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
  3  5  1  0  0  0  0
  8 11  1  0  0  0  0
 23 24  1  0  0  0  0
  2 25  1  6  0  0  0
M  END
>  <Mol_ID> (3,836)
3836

>  <Formula> (3,836)
C16H21N3O5S

>  <MolWeight> (3,836)
367.42004

>  <Item Name> (3,836)
Cephradine monohydrate

>  <Catalog Number> (3,836)
S5296

>  <Synonyms> (3,836)
N/A

>  <Target> (3,836)
Anti-infection

>  <Form> (3,836)
hydrate 

>  <URL> (3,836)
http://selleckchem.com/products/cephradine-monohydrate.html

>  <CAS Number> (3,836)
75975-70-1

$$$$
S5297 Vidarabine monohydrate.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.1810    6.9304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5154    7.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7396    5.6018    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3610    8.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5279    8.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7146    6.6489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    5.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5617    4.4758    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2016    9.1981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7369    9.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9393    7.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139    3.7712    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7177    3.3396    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9616    4.4758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9415    8.7566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7369   10.8537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735    2.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349    2.0031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1880    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  1  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,837)
3837

>  <Formula> (3,837)
C10H15N5O5

>  <MolWeight> (3,837)
285.2566

>  <Item Name> (3,837)
Vidarabine monohydrate

>  <Catalog Number> (3,837)
S5297

>  <Synonyms> (3,837)
Spongoadenosine monohydrate, Vira-A monohydrate

>  <Target> (3,837)
DNA/RNA Synthesis

>  <Form> (3,837)
hydrate 

>  <URL> (3,837)
http://selleckchem.com/products/vidarabine-monohydrate.html

>  <CAS Number> (3,837)
24356-66-9

$$$$
S5298 Amoxicillin trihydrate.cdx
csChFnd80/10101813032D

 29 28  0  0  0  0  0  0  0  0999 V2000
   17.2020    7.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1920    6.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7536    4.7729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.5718    3.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6081    2.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6162    4.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7439    2.5076    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.4144    2.9461    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.1883    1.5644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0089    2.9576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0189    1.9676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6658    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6759    1.3523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0382    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3236    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9612    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6090    3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6190    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667    2.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9813    1.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3336    0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3124    3.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4205    4.3461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0258    4.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0359    5.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5626    6.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   29.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   29.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611   19.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 15 21  2  0  0  0  0
 12 22  2  0  0  0  0
  3 23  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 10 24  1  0  0  0  0
 24 25  2  0  0  0  0
  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,838)
3838

>  <Formula> (3,838)
C16H25N3O8S

>  <MolWeight> (3,838)
419.45

>  <Item Name> (3,838)
Amoxicillin trihydrate

>  <Catalog Number> (3,838)
S5298

>  <Synonyms> (3,838)
Amoxil trihydrate, Amoxipen trihydrate, Moxaline trihydrate 

>  <Target> (3,838)
Anti-infection

>  <Form> (3,838)
trihydrate

>  <URL> (3,838)
http://selleckchem.com/products/amoxicillin-trihydrate.html

>  <CAS Number> (3,838)
61336-70-7

$$$$
S5299 Tosufloxacin p-Toluenesulfonate Hydrate.cdx
csChFnd80/10101813032D

 41 43  0  0  0  0  0  0  0  0999 V2000
    7.2454   10.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    9.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454   11.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    9.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    8.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702   10.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579   12.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329   12.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206   10.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    7.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2455    7.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702   11.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579   13.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206   11.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6079    9.6183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    6.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8828    8.2181    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2455    6.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827   12.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6079   12.4181    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   10.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    8.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    5.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951   11.7181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827   13.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    9.1472    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0924    7.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    4.0183    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8316    2.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8269    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7292    1.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    2.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9169    1.3998    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9169    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3289    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9169    2.7996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292    1.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3568    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 26 29  1  0  0  0  0
  7 12  1  0  0  0  0
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  3  8  1  0  0  0  0
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  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
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 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 36 39  2  0  0  0  0
 31 36  1  0  0  0  0
 34 40  1  0  0  0  0
M  END
>  <Mol_ID> (3,839)
3839

>  <Formula> (3,839)
C26H25F3N4O7S

>  <MolWeight> (3,839)
594.5595096

>  <Item Name> (3,839)
Tosufloxacin p-Toluenesulfonate Hydrate

>  <Catalog Number> (3,839)
S5299

>  <Synonyms> (3,839)
Tosufloxacin Tosylate Hydrate, T-3262 Tosylate Hydrate

>  <Target> (3,839)
Anti-infection

>  <Form> (3,839)
4-methylbenzenesulfonate, hy

>  <URL> (3,839)
http://selleckchem.com/products/tosufloxacin-p-toluenesulfonate-hydrate.html

>  <CAS Number> (3,839)
1400591-39-0

$$$$
S5331 Ceftezole sodium.cdx
csChFnd80/10101813032D

 30 32  0  0  0  0  0  0  0  0999 V2000
   11.9891    0.0270    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.3455    2.7981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5343    2.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7648    2.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7551    4.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5352    4.9111    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3303    4.1980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9303    4.1829    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9456    2.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5343    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3219    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7376    0.0053    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.9542    2.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1758    2.8331    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.6895    2.6769    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3883    2.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5030    0.7473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8638    0.4185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5971    1.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9404    5.1728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5978    4.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2172    3.4739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6078    5.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2581    5.4919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1938    6.4014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3265    4.3088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7222    4.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9556    1.7928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9551    5.5468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  2  7  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  3 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 15 19  1  0  0  0  0
 14 16  1  0  0  0  0
 13 14  1  0  0  0  0
  4 13  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 24 28  1  0  0  0  0
 23 24  1  0  0  0  0
 20 21  1  0  0  0  0
  8 20  1  1  0  0  0
  9 29  2  0  0  0  0
  7 30  1  6  0  0  0
M  END
>  <Mol_ID> (3,840)
3840

>  <Formula> (3,840)
C13H11N8NaO4S3

>  <MolWeight> (3,840)
462.46241

>  <Item Name> (3,840)
Ceftezole sodium

>  <Catalog Number> (3,840)
S5331

>  <Synonyms> (3,840)
Celoslin sodium, Falomesin sodium

>  <Target> (3,840)
Anti-infection

>  <Form> (3,840)
sodium salt 

>  <URL> (3,840)
http://selleckchem.com/products/ceftezole-sodium.html

>  <CAS Number> (3,840)
41136-22-5 

$$$$
S5333 Sulbenicillin Sodium.cdx
csChFnd80/10101813032D

 30 30  0  0  0  0  0  0  0  0999 V2000
    9.5848    2.9222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5848    4.3177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9219    2.4994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1651    2.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1651    4.3033    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9072    4.7359    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7289    3.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4177    1.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1781    1.9257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1927    5.3290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9104    4.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9834    2.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4940    0.0488    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.8424    0.9193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8216    4.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8249    5.9563    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4180    3.7343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2173    7.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5627    5.5517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5428    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2401    8.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3685    5.1667    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1382    6.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0218    4.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9353    8.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6325    9.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   10.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0934    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.2478    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.3642    5.7002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
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 19 22  1  0  0  0  0
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 19 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
  2 30  1  6  0  0  0
M  END
>  <Mol_ID> (3,841)
3841

>  <Formula> (3,841)
C16H16N2Na2O7S2

>  <MolWeight> (3,841)
458.41698

>  <Item Name> (3,841)
Sulbenicillin Sodium

>  <Catalog Number> (3,841)
S5333

>  <Synonyms> (3,841)
Sulfocillin, Sulfobenzylpenicillin

>  <Target> (3,841)
Anti-infection

>  <Form> (3,841)
sodium salt

>  <URL> (3,841)
http://selleckchem.com/products/sulbenicillin-sodium.html

>  <CAS Number> (3,841)
28002-18-8 

$$$$
S5335 COREY LACTONE DIOL.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.5735    2.7919    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5735    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2083    3.2162    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9322    3.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519    0.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9043    0.9386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3997    2.0473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7561    4.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7578    2.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1576    2.0453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5735    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  1  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  1 13  1  6  0  0  0
  2 14  1  6  0  0  0
M  END
>  <Mol_ID> (3,842)
3842

>  <Formula> (3,842)
C8H12O4

>  <MolWeight> (3,842)
172.17848

>  <Item Name> (3,842)
Corey Lactone Diol

>  <Catalog Number> (3,842)
S5335

>  <Synonyms> (3,842)
N/A

>  <Target> (3,842)
Others

>  <Form> (3,842)
free base

>  <URL> (3,842)
http://selleckchem.com/products/corey-lactone-diol.html

>  <CAS Number> (3,842)
32233-40-2

$$$$
S5337 Rauwolscine hydrochloride.cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.3195    6.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1714    7.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8045    7.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3349    8.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1295    6.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0133    5.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6028    7.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6969    9.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 21  1  1  0  0  0
 17 18  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  6  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,843)
3843

>  <Formula> (3,843)
C21H27ClN2O3

>  <MolWeight> (3,843)
390.90368

>  <Item Name> (3,843)
Rauwolscine hydrochloride

>  <Catalog Number> (3,843)
S5337

>  <Synonyms> (3,843)
Isoyohimbine hydrochloride, ¦Á-Yohimbine hydrochloride, corynanthidine hydrochloride

>  <Target> (3,843)
Adrenergic Receptor

>  <Form> (3,843)
hydrochloride 

>  <URL> (3,843)
http://selleckchem.com/products/rauwolscine-hydrochloride.html

>  <CAS Number> (3,843)
6211-32-1

$$$$
S5338 L(-)-Sorbose.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.6339    2.0975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8452    1.3959    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4205    1.3991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6357    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4186    0.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2657    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0560    3.4944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4791    2.0910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,844)
3844

>  <Formula> (3,844)
C6H12O6

>  <MolWeight> (3,844)
180.15588

>  <Item Name> (3,844)
L(-)-Sorbose

>  <Catalog Number> (3,844)
S5338

>  <Synonyms> (3,844)
L(-)-Sorbopyranose

>  <Target> (3,844)
Others

>  <Form> (3,844)
free base

>  <URL> (3,844)
http://selleckchem.com/products/l-sorbose.html

>  <CAS Number> (3,844)
87-79-6

$$$$
S5339 4-Allylanisole.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6291    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6206    2.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8459    0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    2.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0574    0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    0.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0488    2.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2596    2.8189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    2.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,845)
3845

>  <Formula> (3,845)
C10H12O

>  <MolWeight> (3,845)
148.20168

>  <Item Name> (3,845)
4-Allylanisole

>  <Catalog Number> (3,845)
S5339

>  <Synonyms> (3,845)
Estragole, p-Allylanisole, Methyl chavicol

>  <Target> (3,845)
Others

>  <Form> (3,845)
free base

>  <URL> (3,845)
http://selleckchem.com/products/4-allylanisole.html

>  <CAS Number> (3,845)
140-67-0

$$$$
S5340 3-Aminopropionitrile fumarate.cdx
csChFnd80/10101813032D

 18 15  0  0  0  0  0  0  0  0999 V2000
   10.9914    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7790    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2039    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5666    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4163    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2039    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3541    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5666    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5212    4.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3996    3.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8076    3.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1132    3.9912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0941    3.1723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    1.2132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2865    0.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6944    0.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9809    0.1087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  3  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  3  0  0  0  0
M  END
>  <Mol_ID> (3,846)
3846

>  <Formula> (3,846)
C10H16N4O4

>  <MolWeight> (3,846)
256.25844

>  <Item Name> (3,846)
3-Aminopropionitrile fumarate

>  <Catalog Number> (3,846)
S5340

>  <Synonyms> (3,846)
Beta-Aminopropionitrile fumarate

>  <Target> (3,846)
Others

>  <Form> (3,846)
fumarate 

>  <URL> (3,846)
http://selleckchem.com/products/3-aminopropionitrile-fumarate.html

>  <CAS Number> (3,846)
2079-89-2

$$$$
S5342 Dihydrojasmone.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.1539    2.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3261    3.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521    1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    2.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380    4.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0095    1.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8110    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2595    3.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6536    3.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3551    4.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7536    4.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,847)
3847

>  <Formula> (3,847)
C11H18O

>  <MolWeight> (3,847)
166.26002

>  <Item Name> (3,847)
Dihydrojasmone

>  <Catalog Number> (3,847)
S5342

>  <Synonyms> (3,847)
N/A

>  <Target> (3,847)
Others

>  <Form> (3,847)
free base

>  <URL> (3,847)
http://selleckchem.com/products/dihydrojasmone.html

>  <CAS Number> (3,847)
1128-08-1

$$$$
S5343 Vanillic acid.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4183    2.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6243    2.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    2.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    0.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    4.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    4.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    4.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8368    4.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0337    4.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8361    6.2820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,848)
3848

>  <Formula> (3,848)
C8H8O4

>  <MolWeight> (3,848)
168.14672

>  <Item Name> (3,848)
Vanillic acid

>  <Catalog Number> (3,848)
S5343

>  <Synonyms> (3,848)
4-hydroxy-3-methoxybenzoic acid

>  <Target> (3,848)
Others

>  <Form> (3,848)
free base

>  <URL> (3,848)
http://selleckchem.com/products/vanillic-acid.html

>  <CAS Number> (3,848)
121-34-6

$$$$
S5344 1,4-Diaminobutane dihydrochloride.cdx
csChFnd80/10101813032D

  8  5  0  0  0  0  0  0  0  0999 V2000
    8.6366    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8491    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2118    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0615    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9993    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.7883    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7883    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (3,849)
3849

>  <Formula> (3,849)
C4H14Cl2N2

>  <MolWeight> (3,849)
161.07336

>  <Item Name> (3,849)
1,4-Diaminobutane dihydrochloride

>  <Catalog Number> (3,849)
S5344

>  <Synonyms> (3,849)
Putrescine dihydrochloride; Tetramethylenediamine dihydrochloride; 1,4-Butanediamine dihydrochloride

>  <Target> (3,849)
Others

>  <Form> (3,849)
dihydrochloride 

>  <URL> (3,849)
http://selleckchem.com/products/1-4-diaminobutane-dihydrochloride.html

>  <CAS Number> (3,849)
333-93-7

$$$$
S5345 Nerolidol.cdx
csChFnd80/10101813032D

 16 15  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    3.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,850)
3850

>  <Formula> (3,850)
C15H26O

>  <MolWeight> (3,850)
222.36634

>  <Item Name> (3,850)
Nerolidol

>  <Catalog Number> (3,850)
S5345

>  <Synonyms> (3,850)
Peruviol

>  <Target> (3,850)
Others

>  <Form> (3,850)
free base

>  <URL> (3,850)
http://selleckchem.com/products/nerolidol.html

>  <CAS Number> (3,850)
7212-44-4

$$$$
S5346 2-Phenylethylamine hydrochloride.cdx
csChFnd80/10101813032D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.4258    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    2.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    2.8001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6354    0.7105    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,851)
3851

>  <Formula> (3,851)
C8H12ClN

>  <MolWeight> (3,851)
157.64058

>  <Item Name> (3,851)
2-Phenylethylamine hydrochloride

>  <Catalog Number> (3,851)
S5346

>  <Synonyms> (3,851)
¦Â-Phenylethylamine hydrochloride, benzeneethanamine hydrochloride, ¦Â-aminoethylbenzene hydrochlorid

>  <Target> (3,851)
Others

>  <Form> (3,851)
hydrochloride 

>  <URL> (3,851)
http://selleckchem.com/products/2-phenylethylamine-hydrochloride.html

>  <CAS Number> (3,851)
156-28-5

$$$$
S5347 2-Phenylethylamine.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    6.0454    2.7894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8420    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030    0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4279    0.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1  2  1  0  0  0  0
M  END
>  <Mol_ID> (3,852)
3852

>  <Formula> (3,852)
C8H11N

>  <MolWeight> (3,852)
121.17964

>  <Item Name> (3,852)
2-Phenylethylamine

>  <Catalog Number> (3,852)
S5347

>  <Synonyms> (3,852)
¦Â-Phenylethylamine, benzeneethanamine, ¦Â-aminoethylbenzene 

>  <Target> (3,852)
Others

>  <Form> (3,852)
free base

>  <URL> (3,852)
http://selleckchem.com/products/2-phenylethylamine.html

>  <CAS Number> (3,852)
64-04-0

$$$$
S5348 4-(4-Acetoxyphenyl)-2-butanone.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.2812    3.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0507    4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2812    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8376    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0693    1.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7062    3.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8376    2.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9188    4.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7062    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4082    2.0991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2067    1.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2067    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,853)
3853

>  <Formula> (3,853)
C12H14O3

>  <MolWeight> (3,853)
206.23776

>  <Item Name> (3,853)
Pherocon (4-(4-Acetoxyphenyl)-2-butanone)

>  <Catalog Number> (3,853)
S5348

>  <Synonyms> (3,853)
4-(p-Acetoxyphenyl)-2-butanone, 4--(3-Oxobutyl)phenyl acetate

>  <Target> (3,853)
Others

>  <Form> (3,853)
free base

>  <URL> (3,853)
http://selleckchem.com/products/pherocon-4-4-acetoxyphenyl-2-butanone.html

>  <CAS Number> (3,853)
 3572-06-3

$$$$
S5420 Clindamycin alcoholate.cdx
csChFnd80/10101813032D

 30 29  0  0  0  0  0  0  0  0999 V2000
    8.9564    6.4295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9503    5.0295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1738    7.1276    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3791    5.0258    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3794    6.4225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7451    7.1312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3155    7.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5336    6.4295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1617    4.3277    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8331    6.9856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1041    6.4295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8799    5.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3155    8.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9519    5.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7451    8.5279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1589    2.9221    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551    4.7546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5880    4.3151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1742    8.5242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6026    7.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5485    8.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5338    9.2296    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9725    3.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3670    2.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9565    9.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5758    3.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4694    1.7434    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9564    7.8295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3341    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  6  1  1  0  0  0  0
  9  2  1  0  0  0  0
  5  3  1  0  0  0  0
  3 19  1  6  0  0  0
  4  5  1  0  0  0  0
  4 18  1  1  0  0  0
  9  4  1  0  0  0  0
  5 20  1  6  0  0  0
  6  8  1  6  0  0  0
 15  6  1  0  0  0  0
  7  8  1  0  0  0  0
 11  7  1  6  0  0  0
 13  7  2  0  0  0  0
  9 16  1  1  0  0  0
 10 11  1  0  0  0  0
 12 10  1  0  0  0  0
 21 10  1  0  0  0  0
 14 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 15 22  1  1  0  0  0
 25 15  1  0  0  0  0
 24 16  1  0  0  0  0
 17 23  1  1  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
  1 29  1  1  0  0  0
M  END
>  <Mol_ID> (3,854)
3854

>  <Formula> (3,854)
C18H36Cl2N2O6S

>  <MolWeight> (3,854)
479.45924

>  <Item Name> (3,854)
Clindamycin alcoholate

>  <Catalog Number> (3,854)
S5420

>  <Synonyms> (3,854)
N/A

>  <Target> (3,854)
Anti-infection

>  <Form> (3,854)
hydrochloride, monohydrate

>  <URL> (3,854)
http://selleckchem.com/products/clindamycin-alcoholate.html

>  <CAS Number> (3,854)
58207-19-5

$$$$
S5421 Fluoroquinolonic Acid.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8876    2.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6736    3.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8876    1.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    3.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6736    4.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    2.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1859    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5893    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    4.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8876    5.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    5.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527    3.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3508    5.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8876    6.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527    4.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5753    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5612    4.7332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3508    6.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4174    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,855)
3855

>  <Formula> (3,855)
C13H9ClFNO3

>  <MolWeight> (3,855)
281.6668632

>  <Item Name> (3,855)
Fluoroquinolonic Acid

>  <Catalog Number> (3,855)
S5421

>  <Synonyms> (3,855)
Ciprofloxacin Impurity A, Q-Acid 

>  <Target> (3,855)
Anti-infection

>  <Form> (3,855)
free base

>  <URL> (3,855)
http://selleckchem.com/products/fluoroquinolonic-acid.html

>  <CAS Number> (3,855)
86393-33-1

$$$$
S5436 2-Hydroxycaprylic acid.cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,856)
3856

>  <Formula> (3,856)
C8H16O3

>  <MolWeight> (3,856)
160.21084

>  <Item Name> (3,856)
2-Hydroxycaprylic acid

>  <Catalog Number> (3,856)
S5436

>  <Synonyms> (3,856)
2-hydroxyoctanoic acid

>  <Target> (3,856)
Others

>  <Form> (3,856)
free base

>  <URL> (3,856)
http://selleckchem.com/products/2-hydroxycaprylic-acid.html

>  <CAS Number> (3,856)
617-73-2

$$$$
S5443 N,O-Bis(trimethylsilyl)trifluoroacetamide.cdx
csChFnd80/10101813032D

 15 14  0  0  0  0  0  0  0  0999 V2000
    4.1954    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    2.4561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4079    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3175    4.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    2.8184    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    5.4079    1.4000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.9228    5.0167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4395    6.2893    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7121    4.7727    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    1.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    4.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8079    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4079    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0079    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,857)
3857

>  <Formula> (3,857)
C8H18F3NOSi2

>  <MolWeight> (3,857)
257.4008296

>  <Item Name> (3,857)
BSTFA-TMCS

>  <Catalog Number> (3,857)
S5443

>  <Synonyms> (3,857)
N/A

>  <Target> (3,857)
Others

>  <Form> (3,857)
free base

>  <URL> (3,857)
http://selleckchem.com/products/bstfa-tmcs.html

>  <CAS Number> (3,857)
25561-30-2

$$$$
S5446 2-Chloro-1-(4-fluorobenzyl)benzimidazole.cdx
csChFnd80/10101813032D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4885    3.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8053    3.2309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4692    5.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2620    2.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2467    1.9026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6022    4.3561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    5.4813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    5.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6101    1.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0008    4.3561    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5517    2.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0400    0.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9230    2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4112    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    1.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,858)
3858

>  <Formula> (3,858)
C14H10ClFN2

>  <MolWeight> (3,858)
260.6940032

>  <Item Name> (3,858)
2-Chloro-1-(4-fluorobenzyl)benzimidazole

>  <Catalog Number> (3,858)
S5446

>  <Synonyms> (3,858)
N/A

>  <Target> (3,858)
Others

>  <Form> (3,858)
free base

>  <URL> (3,858)
http://selleckchem.com/products/2-chloro-1-4-fluorobenzyl-benzimidazole.html

>  <CAS Number> (3,858)
84946-20-3

$$$$
S5447 Triprolidine hydrochloride monohydrate.cdx
csChFnd80/10101813032D

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.6234    5.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    6.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359    6.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    3.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8394    3.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    7.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0481    5.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8394    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    8.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    6.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    6.3065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    5.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4159    7.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5100    6.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7945    7.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0921    2.3496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9065    0.6818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,859)
3859

>  <Formula> (3,859)
C19H25ClN2O

>  <MolWeight> (3,859)
332.8676

>  <Item Name> (3,859)
Triprolidine Hydrochloride

>  <Catalog Number> (3,859)
S5447

>  <Synonyms> (3,859)
N/A

>  <Target> (3,859)
Histamine Receptor

>  <Form> (3,859)
hydrochloride, hydrate

>  <URL> (3,859)
http://selleckchem.com/products/triprolidine-hydrochloride.html

>  <CAS Number> (3,859)
6138-79-0

$$$$
S5449 3-Methoxybenzamide.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2184    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    2.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    4.8999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498    0.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,860)
3860

>  <Formula> (3,860)
C8H9NO2

>  <MolWeight> (3,860)
151.16256

>  <Item Name> (3,860)
3-Methoxybenzamide

>  <Catalog Number> (3,860)
S5449

>  <Synonyms> (3,860)
3-MBA

>  <Target> (3,860)
Transferase

>  <Form> (3,860)
free base

>  <URL> (3,860)
http://selleckchem.com/products/3-methoxybenzamide.html

>  <CAS Number> (3,860)
5813-86-5

$$$$
S5479 Cloperastine hydrochloride.cdx
csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.6526    2.8106    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8649    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    2.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6526    4.2099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    2.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649    0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2313    2.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    0.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8647    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0927    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411    0.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8647    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0769    7.0096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5117    0.0276    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2919    6.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0769    8.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295    7.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3025    9.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295    8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5455    3.3321    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,861)
3861

>  <Formula> (3,861)
C20H25Cl2NO

>  <MolWeight> (3,861)
366.3246

>  <Item Name> (3,861)
Cloperastine hydrochloride

>  <Catalog Number> (3,861)
S5479

>  <Synonyms> (3,861)
HT-11 hydrochloride

>  <Target> (3,861)
Histamine Receptor

>  <Form> (3,861)
hydrochloride 

>  <URL> (3,861)
http://selleckchem.com/products/cloperastine-hydrochloride.html

>  <CAS Number> (3,861)
14984-68-0

$$$$
S5481 Molindone hydrochloride.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8866    4.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8866    2.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1911    4.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    4.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1911    2.3598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0206    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292    5.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    4.1805    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6416    6.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282    2.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4206    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0137    6.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    4.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    6.2764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    6.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0184    8.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    8.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2326    9.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1602    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,862)
3862

>  <Formula> (3,862)
C16H25ClN2O2

>  <MolWeight> (3,862)
312.8349

>  <Item Name> (3,862)
Molindone hydrochloride

>  <Catalog Number> (3,862)
S5481

>  <Synonyms> (3,862)
N/A

>  <Target> (3,862)
Dopamine Receptor

>  <Form> (3,862)
hydrochloride 

>  <URL> (3,862)
http://selleckchem.com/products/molindone-hydrochloride.html

>  <CAS Number> (3,862)
 15622-65-8

$$$$
S5492 Econazole.cdx
csChFnd80/10101813032D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    3.7835    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4870    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4866    1.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    0.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7656    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0023    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7023    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5832    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 18  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,863)
3863

>  <Formula> (3,863)
C18H15Cl3N2O

>  <MolWeight> (3,863)
381.6835

>  <Item Name> (3,863)
Econazole

>  <Catalog Number> (3,863)
S5492

>  <Synonyms> (3,863)
N/A

>  <Target> (3,863)
Anti-infection

>  <Form> (3,863)
free base

>  <URL> (3,863)
http://selleckchem.com/products/econazole.html

>  <CAS Number> (3,863)
27220-47-9

$$$$
S5497 Iopanoic acid.cdx
csChFnd80/10101813032D

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 12  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,864)
3864

>  <Formula> (3,864)
C11H12I3NO2

>  <MolWeight> (3,864)
570.93189

>  <Item Name> (3,864)
Iopanoic acid

>  <Catalog Number> (3,864)
S5497

>  <Synonyms> (3,864)
Acidum iopanoicum, Iodopanoic acid

>  <Target> (3,864)
Others

>  <Form> (3,864)
free base

>  <URL> (3,864)
http://selleckchem.com/products/iopanoic-acid.html

>  <CAS Number> (3,864)
96-83-3

$$$$
S5498 Betahistine mesylate.cdx
csChFnd80/10101813032D

 20 18  0  0  0  0  0  0  0  0999 V2000
    2.4443    6.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4443    7.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1992    5.6496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6435    5.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1992    8.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    6.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0915    5.7981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1996    6.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4299    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4299    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4299    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8299    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0397    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6397    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0397    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0397    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4397    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,865)
3865

>  <Formula> (3,865)
C10H20N2O6S2

>  <MolWeight> (3,865)
328.4056

>  <Item Name> (3,865)
Betahistine mesylate

>  <Catalog Number> (3,865)
S5498

>  <Synonyms> (3,865)
N/A

>  <Target> (3,865)
Histamine Receptor

>  <Form> (3,865)
dimethanesulfonate 

>  <URL> (3,865)
http://selleckchem.com/products/betahistine-mesylate.html

>  <CAS Number> (3,865)
54856-23-4

$$$$
S5499 Amantadine.cdx
csChFnd80/10101813032D

 11 13  0  0  0  0  0  0  0  0999 V2000
    2.3187    3.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    1.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    2.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0915    2.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3525    4.5017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3797    0.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5933    1.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1050    1.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6611    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3118    0.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,866)
3866

>  <Formula> (3,866)
C10H17N

>  <MolWeight> (3,866)
151.24868

>  <Item Name> (3,866)
Amantadine

>  <Catalog Number> (3,866)
S5499

>  <Synonyms> (3,866)
1-Adamantanamine, 1-Adamantylamine, 1-Aminoadamantane

>  <Target> (3,866)
Anti-infection

>  <Form> (3,866)
free base

>  <URL> (3,866)
http://selleckchem.com/products/amantadine.html

>  <CAS Number> (3,866)
768-94-5

$$$$
S5508 Dehydroepiandrosterone acetate.cdx
csChFnd80/10101813032D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.6368    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    0.7076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4228    0.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    2.1016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458    0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0559    0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2725    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4888    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4885    2.1062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7061    2.8087    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0535    2.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8678    3.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0208    4.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4336    6.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6956    5.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4749    4.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    4.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2797    2.8036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0635    2.1027    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0594    3.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8465    2.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2677    1.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4769    3.5177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 11  1  0  0  0  0
 21 22  1  0  0  0  0
 22  8  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24  1  1  0  0  0  0
 21 25  1  6  0  0  0
  1  2  1  0  0  0  0
 11 26  1  1  0  0  0
  2  3  1  1  0  0  0
 12 27  1  6  0  0  0
M  END
>  <Mol_ID> (3,867)
3867

>  <Formula> (3,867)
C21H30O3

>  <MolWeight> (3,867)
330.4611

>  <Item Name> (3,867)
Dehydroepiandrosterone acetate

>  <Catalog Number> (3,867)
S5508

>  <Synonyms> (3,867)
DHEA acetate, androstenolone acetate

>  <Target> (3,867)
Others

>  <Form> (3,867)
free base

>  <URL> (3,867)
http://selleckchem.com/products/dehydroepiandrosterone-acetate.html

>  <CAS Number> (3,867)
853-23-6

$$$$
S5509 4-Aminophenol.cdx
csChFnd80/10101813032D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.4104    1.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    2.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5059    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5059    2.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2044    1.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6182    1.2113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,868)
3868

>  <Formula> (3,868)
C6H7NO

>  <MolWeight> (3,868)
109.12588

>  <Item Name> (3,868)
4-Aminophenol

>  <Catalog Number> (3,868)
S5509

>  <Synonyms> (3,868)
p-Aminophenol, para-Aminophenol, 4-hydroxyaniline, p-hydroxyaniline

>  <Target> (3,868)
Others

>  <Form> (3,868)
free base

>  <URL> (3,868)
http://selleckchem.com/products/4-aminophenol.html

>  <CAS Number> (3,868)
123-30-8

$$$$
S5515 Penicillin G Procaine.cdx
csChFnd80/10101813032D

 42 43  0  0  0  0  0  0  0  0999 V2000
   11.7008    8.9381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292    8.4963    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8599    9.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0450   10.7615    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.7105   10.3381    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3140   10.3513    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2974    8.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4525    7.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5085    6.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8199    6.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3240   11.3412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9903   11.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5634    9.6529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0003   11.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6538   11.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6990   12.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3349   12.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9255   11.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8803   10.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2444   10.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3074    7.9614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9068   10.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8937    8.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5011   11.7224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4206    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0579    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2703    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4827    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9076    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9076    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1200    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4047    1.7061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  1  5  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2  8  1  6  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 15  1  0  0  0  0
 11 12  1  0  0  0  0
  6 11  1  1  0  0  0
  7 21  2  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  5 24  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 31  2  0  0  0  0
 25 32  2  0  0  0  0
 25 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 37 40  1  0  0  0  0
 29 41  1  0  0  0  0
M  END
>  <Mol_ID> (3,869)
3869

>  <Formula> (3,869)
C29H40N4O7S

>  <MolWeight> (3,869)
588.7155

>  <Item Name> (3,869)
Penicillin G Procaine

>  <Catalog Number> (3,869)
S5515

>  <Synonyms> (3,869)
Procaine benzylpenicillin

>  <Target> (3,869)
Anti-infection

>  <Form> (3,869)
salt

>  <URL> (3,869)
http://selleckchem.com/products/penicillin-g-procaine.html

>  <CAS Number> (3,869)
6130-64-9

$$$$
S5520 Phenidone.cdx
csChFnd80/10101813032D

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3870

>  <Formula> (3,870)
C9H10N2O

>  <MolWeight> (3,870)
162.1885

>  <Item Name> (3,870)
Phenidone

>  <Catalog Number> (3,870)
S5520

>  <Synonyms> (3,870)
1-phenyl-3-pyrazolidinone

>  <Target> (3,870)
COX,Lipoxygenase

>  <Form> (3,870)
free base

>  <URL> (3,870)
http://selleckchem.com/products/phenidone.html

>  <CAS Number> (3,870)
92-43-3

$$$$
GSK'963.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,871)
3871

>  <Formula> (3,871)
C14H18N2O

>  <MolWeight> (3,871)
230.30552

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GSK'963

>  <Catalog Number> (3,871)
S8642

>  <Synonyms> (3,871)
N/A

>  <Target> (3,871)
NF-¦ÊB,TNF-alpha

>  <Form> (3,871)
free base

>  <URL> (3,871)
http://selleckchem.com/products/gsk963.html

>  <CAS Number> (3,871)
2049868-46-2

$$$$
bpV (HOpic).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,872)
3872

>  <Formula> (3,872)
C6H4K2NO8V

>  <MolWeight> (3,872)
347.23596

>  <Item Name> (3,872)
bpV (HOpic)

>  <Catalog Number> (3,872)
S8651

>  <Synonyms> (3,872)
Bisperoxovanadium(HOpic)

>  <Target> (3,872)
PTEN

>  <Form> (3,872)
potassium 

>  <URL> (3,872)
http://selleckchem.com/products/bpv-hopic.html

>  <CAS Number> (3,872)
722494-26-0

$$$$
79-6 (CID5721353, BCL6 inhibitor).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,873)
3873

>  <Formula> (3,873)
C15H9BrN2O6S2

>  <MolWeight> (3,873)
457.27576

>  <Item Name> (3,873)
79-6 (CID5721353, BCL6 inhibitor)

>  <Catalog Number> (3,873)
S8250

>  <Synonyms> (3,873)
N/A

>  <Target> (3,873)
Bcl-6

>  <URL> (3,873)
http://selleckchem.com/products/79-6-cid5721353-bcl6-inhibitor.html

>  <CAS Number> (3,873)
301356-95-6

$$$$
Anlotinib (AL3818).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,874)
3874

>  <Formula> (3,874)
C23H24Cl2FN3O3

>  <MolWeight> (3,874)
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>  <Item Name> (3,874)
Anlotinib (AL3818) dihydrochloride

>  <Catalog Number> (3,874)
S8726

>  <Synonyms> (3,874)
N/A

>  <Target> (3,874)
VEGFR

>  <Form> (3,874)
dihydrochloride 

>  <URL> (3,874)
http://selleckchem.com/products/anlotinib-al3818.html

>  <CAS Number> (3,874)
1360460-82-7

$$$$
DCC-2618.cdx
csChFnd80/10101813032D

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 10  5  1  0  0  0  0
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  5 23  1  1  0  0  0
 17 24  2  0  0  0  0
 24 25  1  4  0  0  0
 16 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,881)
3881

>  <Formula> (3,881)
C21H28O2

>  <MolWeight> (3,881)
312.44582

>  <Item Name> (3,881)
Guggulsterone E&Z

>  <Catalog Number> (3,881)
S3792

>  <Synonyms> (3,881)
N/A

>  <Target> (3,881)
FXR

>  <Form> (3,881)
free base

>  <URL> (3,881)
http://selleckchem.com/products/guggulsterone.html

>  <CAS Number> (3,881)
95975-55-6

$$$$
S3805 Stevioside.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,882)
3882

>  <Formula> (3,882)
C38H60O18

>  <MolWeight> (3,882)
804.8722

>  <Item Name> (3,882)
Stevioside

>  <Catalog Number> (3,882)
S3805

>  <Synonyms> (3,882)
N/A

>  <Target> (3,882)
Others

>  <Form> (3,882)
free base

>  <URL> (3,882)
http://selleckchem.com/products/stevioside.html

>  <CAS Number> (3,882)
57817-89-7

$$$$
S3972 Lobeline  hydrochloride.cdx
csChFnd80/10101813032D

 26 27  0  0  0  0  0  0  0  0999 V2000
    8.4862    3.4827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,883)
3883

>  <Formula> (3,883)
C22H28ClNO2

>  <MolWeight> (3,883)
373.91622

>  <Item Name> (3,883)
Lobeline hydrochloride

>  <Catalog Number> (3,883)
S3972

>  <Synonyms> (3,883)
N/A

>  <Target> (3,883)
AChR,Opioid Receptor

>  <Form> (3,883)
hydrochloride 

>  <URL> (3,883)
http://selleckchem.com/products/lobeline-hydrochloride.html

>  <CAS Number> (3,883)
134-63-4

$$$$
S4590 Dithranol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,884)
3884

>  <Formula> (3,884)
C14H10O3

>  <MolWeight> (3,884)
226.2274

>  <Item Name> (3,884)
Dithranol

>  <Catalog Number> (3,884)
S4590

>  <Synonyms> (3,884)
Anthralin; cignoline; 1,8,9-trihydroxyanthracene

>  <Target> (3,884)
Others

>  <Form> (3,884)
free base

>  <URL> (3,884)
http://selleckchem.com/products/dithranol.html

>  <CAS Number> (3,884)
1143-38-0

$$$$
S4833 Cefoxitin sodium.cdx
csChFnd80/10101813032D

 30 31  0  0  0  0  0  0  0  0999 V2000
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    7.2522    4.7335    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.2041    2.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2251    0.9527    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    6.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4741    0.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2510    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  1  0  0  0
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  2 29  1  6  0  0  0
  3  8  2  0  0  0  0
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 11 15  2  0  0  0  0
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 13 17  1  0  0  0  0
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 21 24  1  0  0  0  0
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 23 26  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (3,885)
3885

>  <Formula> (3,885)
C16H16N3NaO7S2

>  <MolWeight> (3,885)
449.43391

>  <Item Name> (3,885)
Cefoxitin sodium

>  <Catalog Number> (3,885)
S4833

>  <Synonyms> (3,885)
N/A

>  <Target> (3,885)
Anti-infection

>  <Form> (3,885)
sodium salt

>  <URL> (3,885)
http://selleckchem.com/products/cefoxitin-sodium.html

>  <CAS Number> (3,885)
33564-30-6

$$$$
S4845 Rabeprazole.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4344    3.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4344    1.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,886)
3886

>  <Formula> (3,886)
C18H21N3O3S

>  <MolWeight> (3,886)
359.44264

>  <Item Name> (3,886)
Rabeprazole

>  <Catalog Number> (3,886)
S4845

>  <Synonyms> (3,886)
N/A

>  <Target> (3,886)
Proton Pump

>  <Form> (3,886)
free base

>  <URL> (3,886)
http://selleckchem.com/products/rabeprazole.html

>  <CAS Number> (3,886)
117976-89-3

$$$$
S4846 Meropenem Trihydrate.cdx
csChFnd80/10101813032D

 31 30  0  0  0  0  0  0  0  0999 V2000
   11.7775    2.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7757    4.1517    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1096    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3791    2.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3758    4.1475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1067    4.5859    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9310    3.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5442    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3891    1.7584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9758    4.1475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5374    5.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3310    3.4564    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.8965    0.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2764    5.3589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7761    3.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5061    1.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6358    1.9962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.8497    0.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0351    2.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6949    3.2770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7745    0.8534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0941    3.3230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9554    4.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5546    5.5292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   24.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611   15.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  1  0  0  0
  6  7  1  0  0  0  0
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  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
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 17 12  1  1  0  0  0
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 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
  5 27  1  1  0  0  0
  2 28  1  6  0  0  0
M  END
>  <Mol_ID> (3,887)
3887

>  <Formula> (3,887)
C17H31N3O8S

>  <MolWeight> (3,887)
437.50834

>  <Item Name> (3,887)
Meropenem Trihydrate

>  <Catalog Number> (3,887)
S4846

>  <Synonyms> (3,887)
N/A

>  <Target> (3,887)
Anti-infection

>  <Form> (3,887)
trihydrate 

>  <URL> (3,887)
http://selleckchem.com/products/meropenem-trihydrate.html

>  <CAS Number> (3,887)
119478-56-7

$$$$
S4850 Flucloxacillin sodium.cdx
csChFnd80/10101813032D

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.8576    5.1435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8576    3.7026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1894    5.5683    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4455    5.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4455    3.7026    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1894    3.2951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0390    4.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5855    6.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4868    6.1309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4868    2.7152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3306    5.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3592    3.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2903    3.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4246    5.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8288    2.3191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1727    7.2872    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
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  4  5  1  0  0  0  0
  5 10  1  6  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 18 20  1  0  0  0  0
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 25 29  1  0  0  0  0
 26 30  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,888)
3888

>  <Formula> (3,888)
C19H16ClFN3NaO5S

>  <MolWeight> (3,888)
475.8536132

>  <Item Name> (3,888)
Flucloxacillin sodium

>  <Catalog Number> (3,888)
S4850

>  <Synonyms> (3,888)
floxacillin sodium

>  <Target> (3,888)
Anti-infection

>  <Form> (3,888)
sodium salt 

>  <URL> (3,888)
http://selleckchem.com/products/flucloxacillin-sodium.html

>  <CAS Number> (3,888)
1847-24-1

$$$$
S4853 Ecabet sodium.cdx
csChFnd80/10101813032D

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.4246    4.8817    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6320    5.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    3.4844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2126    5.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    6.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8446    4.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320    6.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    2.7894    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6320    2.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0574    5.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,889)
3889

>  <Formula> (3,889)
C20H27NaO5S

>  <MolWeight> (3,889)
402.48015

>  <Item Name> (3,889)
Ecabet sodium

>  <Catalog Number> (3,889)
S4853

>  <Synonyms> (3,889)
TA-2711, TA-2711E

>  <Target> (3,889)
Others

>  <Form> (3,889)
sodium salt 

>  <URL> (3,889)
http://selleckchem.com/products/ecabet-sodium.html

>  <CAS Number> (3,889)
86408-72-2

$$$$
S4865 Cefetamet pivoxil hydrochloride.cdx
csChFnd80/10101813032D

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    5.8767    4.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    4.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3707   12.2857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
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 23 28  2  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  0  0  0  0
 28 34  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,890)
3890

>  <Formula> (3,890)
C20H26ClN5O7S2

>  <MolWeight> (3,890)
548.03274

>  <Item Name> (3,890)
Cefetamet pivoxil hydrochloride

>  <Catalog Number> (3,890)
S4865

>  <Synonyms> (3,890)
N/A

>  <Target> (3,890)
Anti-infection

>  <Form> (3,890)
hydrochloride 

>  <URL> (3,890)
http://selleckchem.com/products/cefetamet-pivoxil-hydrochloride.html

>  <CAS Number> (3,890)
111696-23-2

$$$$
S4873 Dicyclanil.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  3  0  0  0  0
M  END
>  <Mol_ID> (3,891)
3891

>  <Formula> (3,891)
C8H10N6

>  <MolWeight> (3,891)
190.2052

>  <Item Name> (3,891)
Dicyclanil

>  <Catalog Number> (3,891)
S4873

>  <Synonyms> (3,891)
N/A

>  <Target> (3,891)
Others

>  <Form> (3,891)
free base

>  <URL> (3,891)
http://selleckchem.com/products/dicyclanil.html

>  <CAS Number> (3,891)
112636-83-6

$$$$
S4955 Acetosyringone.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4434    2.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279    2.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6527    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4496    0.6946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2217    4.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0186    2.0839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6466    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    4.8839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    4.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    4.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,892)
3892

>  <Formula> (3,892)
C10H12O4

>  <MolWeight> (3,892)
196.19988

>  <Item Name> (3,892)
Acetosyringone

>  <Catalog Number> (3,892)
S4955

>  <Synonyms> (3,892)
Acetosyringenin

>  <Target> (3,892)
Others

>  <Form> (3,892)
free base

>  <URL> (3,892)
http://selleckchem.com/products/acetosyringone.html

>  <CAS Number> (3,892)
2478-38-8

$$$$
S4992 Nanofin.cdx
csChFnd80/10101813032D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4309    2.7907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2239    2.0879    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6379    2.0879    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2239    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8618    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,893)
3893

>  <Formula> (3,893)
C7H15N

>  <MolWeight> (3,893)
113.2007

>  <Item Name> (3,893)
Nanofin

>  <Catalog Number> (3,893)
S4992

>  <Synonyms> (3,893)
2,6-Dimethylpiperidine; Lupetidine; Naniopinum

>  <Target> (3,893)
AChR

>  <URL> (3,893)
http://selleckchem.com/products/nanofin.html

>  <CAS Number> (3,893)
504-03-0

$$$$
S4996 AN-2690.cdx
csChFnd80/10101813032D

 11 12  0  0  0  0  0  0  0  0999 V2000
    5.7916    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9687    2.5325    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9687    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4013    3.8639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
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M  END
>  <Mol_ID> (3,894)
3894

>  <Formula> (3,894)
C7H6BFO2

>  <MolWeight> (3,894)
151.9307432

>  <Item Name> (3,894)
Tavaborole (AN-2690)

>  <Catalog Number> (3,894)
S4996

>  <Synonyms> (3,894)
N/A

>  <Target> (3,894)
Anti-infection

>  <Form> (3,894)
free base

>  <URL> (3,894)
http://selleckchem.com/products/tavaborole-an-2690.html

>  <CAS Number> (3,894)
174671-46-6

$$$$
S5011 Disodium Phosphate.cdx
csChFnd80/10101813032D

  1  0  0  0  0  0  0  0  0  0999 V2000
  114.0866 -148.6984    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
A    1
?Na2HPO4?
M  END
>  <Mol_ID> (3,895)
3895

>  <Formula> (3,895)
R

>  <Item Name> (3,895)
Disodium Phosphate

>  <Catalog Number> (3,895)
S5011

>  <Synonyms> (3,895)
Disodium hydrogen orthophosphate, Sodium hydrogen phosphate, Sodium phosphate dibasic

>  <Target> (3,895)
Others

>  <Form> (3,895)
disodium salt

>  <URL> (3,895)
http://selleckchem.com/products/disodium-phosphate.html

>  <CAS Number> (3,895)
7558-79-4

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/10101813032D

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (3,896)
C24H24F3N5O5S3

>  <MolWeight> (3,896)
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>  <Item Name> (3,896)
Dabrafenib Mesylate

>  <Catalog Number> (3,896)
S5069

>  <Synonyms> (3,896)
GSK2118436 Mesylate

>  <Target> (3,896)
Raf

>  <Form> (3,896)
mesylate

>  <URL> (3,896)
http://selleckchem.com/products/dabrafenib-mesylate.html

>  <CAS Number> (3,896)
1195768-06-9

$$$$
S5071 Duloxetine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,897)
3897

>  <Formula> (3,897)
C18H19NOS

>  <MolWeight> (3,897)
297.41456

>  <Item Name> (3,897)
Duloxetine

>  <Catalog Number> (3,897)
S5071

>  <Synonyms> (3,897)
LY-248686

>  <Target> (3,897)
5-HT Receptor

>  <Form> (3,897)
free base

>  <URL> (3,897)
http://selleckchem.com/products/duloxetine.html

>  <CAS Number> (3,897)
116539-59-4

$$$$
S5072 Rosuvastatin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,898)
3898

>  <Formula> (3,898)
C22H28FN3O6S

>  <MolWeight> (3,898)
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>  <Item Name> (3,898)
Rosuvastatin

>  <Catalog Number> (3,898)
S5072

>  <Synonyms> (3,898)
N/A

>  <Target> (3,898)
HMG-CoA Reductase

>  <URL> (3,898)
http://selleckchem.com/products/rosuvastatin.html

>  <CAS Number> (3,898)
287714-41-4

$$$$
S5087 Tianeptine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,899)
3899

>  <Formula> (3,899)
C21H25ClN2O4S

>  <MolWeight> (3,899)
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>  <Item Name> (3,899)
Tianeptine

>  <Catalog Number> (3,899)
S5087

>  <Synonyms> (3,899)
S-1574, JNJ-39823277, TPI-1062

>  <Target> (3,899)
Opioid Receptor

>  <Form> (3,899)
free base

>  <URL> (3,899)
http://selleckchem.com/products/tianeptine.html

>  <CAS Number> (3,899)
72797-41-2

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/10101813032D

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    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  1  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,900)
3900

>  <Formula> (3,900)
C3H8NO6P

>  <MolWeight> (3,900)
185.072481

>  <Item Name> (3,900)
O-Phospho-L-serine

>  <Catalog Number> (3,900)
S5137

>  <Synonyms> (3,900)
Dexfosfoserine

>  <Target> (3,900)
GluR

>  <Form> (3,900)
free base

>  <URL> (3,900)
http://selleckchem.com/products/o-phospho-l-serine.html

>  <CAS Number> (3,900)
407-41-0

$$$$
S5153 Tetrahydroberberine.cdx
csChFnd80/10101813032D

 25 29  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.9523    7.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  1 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 11 15  1  0  0  0  0
 15 17  1  0  0  0  0
 14 16  1  0  0  0  0
  1 16  2  0  0  0  0
  2 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
  7 21  2  0  0  0  0
  8 18  2  0  0  0  0
 22 23  1  0  0  0  0
 20 22  1  0  0  0  0
 24 25  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,901)
3901

>  <Formula> (3,901)
C20H21NO4

>  <MolWeight> (3,901)
339.38504

>  <Item Name> (3,901)
Tetrahydroberberine

>  <Catalog Number> (3,901)
S5153

>  <Synonyms> (3,901)
Canadine

>  <Target> (3,901)
Dopamine Receptor,5-HT Receptor

>  <Form> (3,901)
free base

>  <URL> (3,901)
http://selleckchem.com/products/tetrahydroberberine.html

>  <CAS Number> (3,901)
522-97-4

$$$$
S5320 Octinoxate.cdx
csChFnd80/10101813032D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.8576    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6343    2.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8576    0.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0701    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218    2.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6450    0.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2825    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218    0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4949    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    0.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7074    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4949    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9198    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1323    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3447    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1323    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5571    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7696    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9820    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  4  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,902)
3902

>  <Formula> (3,902)
C18H26O3

>  <MolWeight> (3,902)
290.39724

>  <Item Name> (3,902)
Octinoxate

>  <Catalog Number> (3,902)
S5320

>  <Synonyms> (3,902)
Octyl methoxycinnamate, ethylhexyl methoxycinnamate

>  <Target> (3,902)
Others

>  <Form> (3,902)
free base

>  <URL> (3,902)
http://selleckchem.com/products/octinoxate.html

>  <CAS Number> (3,902)
5466-77-3 

$$$$
S5322 Sodium gualenate.cdx
csChFnd80/10101813032D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.5728    5.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161    3.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7001    5.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2666    5.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4159    3.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2536    2.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8380    5.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7001    7.2576    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    4.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1278    6.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2509    2.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677    2.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0961    7.2576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962    7.2576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7001    8.6576    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8775    3.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
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  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5  7  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,903)
3903

>  <Formula> (3,903)
C15H17NaO3S

>  <MolWeight> (3,903)
300.34845

>  <Item Name> (3,903)
Sodium gualenate

>  <Catalog Number> (3,903)
S5322

>  <Synonyms> (3,903)
Guaiazulenesulfonate sodium

>  <Target> (3,903)
Immunology & Inflammation related

>  <Form> (3,903)
sodium salt

>  <URL> (3,903)
http://selleckchem.com/products/sodium-gualenate.html

>  <CAS Number> (3,903)
6223-35-4

$$$$
S5325 Nitisinone.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    3.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8499    3.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,904)
3904

>  <Formula> (3,904)
C14H10F3NO5

>  <MolWeight> (3,904)
329.2281096

>  <Item Name> (3,904)
Nitisinone

>  <Catalog Number> (3,904)
S5325

>  <Synonyms> (3,904)
N/A

>  <Target> (3,904)
Others

>  <Form> (3,904)
free base

>  <URL> (3,904)
http://selleckchem.com/products/nitisinone.html

>  <CAS Number> (3,904)
104206-65-7

$$$$
S5327 Meisoindigo.cdx
csChFnd80/10101813032D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.7564    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    6.1294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1890    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  6  1  1  0  0  0  0
  4  2  1  0  0  0  0
 11  2  2  0  0  0  0
  5  3  1  0  0  0  0
  9  3  1  0  0  0  0
 13  4  1  0  0  0  0
  4  8  1  0  0  0  0
  7  5  1  0  0  0  0
 12  5  2  0  0  0  0
  8  6  2  0  0  0  0
 14  6  1  0  0  0  0
  7 10  1  0  0  0  0
 15  8  1  0  0  0  0
 10  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17 10  2  0  0  0  0
 18 14  2  0  0  0  0
 15 19  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 19 18  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,905)
3905

>  <Formula> (3,905)
C17H12N2O2

>  <MolWeight> (3,905)
276.28938

>  <Item Name> (3,905)
Meisoindigo

>  <Catalog Number> (3,905)
S5327

>  <Synonyms> (3,905)
N-Methylisoindigotin, Methylisoindigotin, Dian III

>  <Target> (3,905)
Others

>  <Form> (3,905)
free base

>  <URL> (3,905)
http://selleckchem.com/products/meisoindigo.html

>  <CAS Number> (3,905)
97207-47-1

$$$$
S5329 FAAH-IN-2.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.2000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    6.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,906)
3906

>  <Formula> (3,906)
C15H11ClFN3O2

>  <MolWeight> (3,906)
319.7181432

>  <Item Name> (3,906)
FAAH-IN-2

>  <Catalog Number> (3,906)
S5329

>  <Synonyms> (3,906)
N/A

>  <Target> (3,906)
FAAH

>  <Form> (3,906)
free base

>  <URL> (3,906)
http://selleckchem.com/products/faah-in-2.html

>  <CAS Number> (3,906)
184475-71-6

$$$$
S5341 Metroprolol succinate.cdx
csChFnd80/10101813032D

 46 45  0  0  0  0  0  0  0  0999 V2000
    7.3289    2.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3314    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1069    2.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5413    2.8022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1137    0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9029    2.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7501    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8899    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643    2.8054    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6775    0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1759    2.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643    4.2065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4662    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3888    2.8062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2532    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6010    2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0410    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8135    2.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6010    0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5942    4.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8066    5.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3818    5.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0191    4.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1693    4.4812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3818    6.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2315    5.1812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0191    3.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2877    7.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2903    6.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    8.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5002    8.3630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727    5.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8619    7.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7089    7.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    6.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9232    8.3663    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6365    5.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1347    7.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9232    9.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    6.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3476    8.3671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    5.5608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5598    7.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7723    8.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5598    6.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 37 40  1  0  0  0  0
 38 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 44  1  0  0  0  0
 43 45  1  0  0  0  0
 43 46  1  0  0  0  0
M  END
>  <Mol_ID> (3,907)
3907

>  <Formula> (3,907)
C34H56N2O10

>  <MolWeight> (3,907)
652.81584

>  <Item Name> (3,907)
Metroprolol succinate

>  <Catalog Number> (3,907)
S5341

>  <Synonyms> (3,907)
Metoprolol succinate

>  <Target> (3,907)
Adrenergic Receptor

>  <Form> (3,907)
succinate

>  <URL> (3,907)
http://selleckchem.com/products/metroprolol-succinate.html

>  <CAS Number> (3,907)
98418-47-4

$$$$
S5349 Ethyl chrysanthemumate.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1123    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0373    2.1123    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3373    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2648    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4098    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    2.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    4.2123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,908)
3908

>  <Formula> (3,908)
C12H20O2

>  <MolWeight> (3,908)
196.286

>  <Item Name> (3,908)
Ethyl chrysanthemumate

>  <Catalog Number> (3,908)
S5349

>  <Synonyms> (3,908)
Chrysanthemic acid ethyl ester

>  <Target> (3,908)
Others

>  <URL> (3,908)
http://selleckchem.com/products/ethyl-chrysanthemumate.html

>  <CAS Number> (3,908)
97-41-6

$$$$
S5154 Tetrahydropiperine.cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2787    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0663    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,909)
3909

>  <Formula> (3,909)
C17H23NO3

>  <MolWeight> (3,909)
289.36942

>  <Item Name> (3,909)
Tetrahydropiperine

>  <Catalog Number> (3,909)
S5154

>  <Synonyms> (3,909)
Cosmoperine

>  <Target> (3,909)
Others

>  <Form> (3,909)
free base

>  <URL> (3,909)
http://selleckchem.com/products/tetrahydropiperine.html

>  <CAS Number> (3,909)
23434-88-0

$$$$
S5155 Raffinose.cdx
csChFnd80/10101813032D

 34 36  0  0  0  0  0  0  0  0999 V2000
   11.4913    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4975    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2882    2.1053    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2944    3.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0851    4.2107    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0912    5.6105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8818    6.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8878    7.7158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6784    8.4210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6845    9.8209    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4751   10.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2597    9.8314    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0776    8.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    8.8992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3555    7.5062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0059    9.6043    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7244    9.0405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3028   10.9724    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.3247   10.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1032    8.4105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3126    7.7053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8695    3.5160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6602    4.2213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8633    2.1160    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6479    1.4214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0727    1.4106    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0665    0.0108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0776    7.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 12 11  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 12 21  1  0  0  0  0
 10 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  6  0  0  0
  5 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
  3 32  1  0  0  0  0
 32 33  1  6  0  0  0
 13 34  1  0  0  0  0
M  END
>  <Mol_ID> (3,910)
3910

>  <Formula> (3,910)
C18H32O16

>  <MolWeight> (3,910)
504.43708

>  <Item Name> (3,910)
Raffinose

>  <Catalog Number> (3,910)
S5155

>  <Synonyms> (3,910)
Melitose, Melitriose

>  <Target> (3,910)
Others

>  <Form> (3,910)
free base

>  <URL> (3,910)
http://selleckchem.com/products/raffinose.html

>  <CAS Number> (3,910)
512-69-6

$$$$
S5156 4-Methoxysalicylaldehyde.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2241    2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4130    2.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241    0.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    4.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0128    4.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0091    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2289    4.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264    4.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2289    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0195    6.9865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4371    6.9859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,911)
3911

>  <Formula> (3,911)
C8H8O3

>  <MolWeight> (3,911)
152.14732

>  <Item Name> (3,911)
4-Methoxysalicylaldehyde

>  <Catalog Number> (3,911)
S5156

>  <Synonyms> (3,911)
2-Hydroxy-4-methoxybenzaldehyde 

>  <Target> (3,911)
Others

>  <Form> (3,911)
free base

>  <URL> (3,911)
http://selleckchem.com/products/4-methoxysalicylaldehyde.html

>  <CAS Number> (3,911)
673-22-3

$$$$
S5158 alpha-Naphthoflavone.cdx
csChFnd80/10101813032D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 10  1  0  0  0  0
  9 15  1  0  0  0  0
  9 13  2  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,912)
3912

>  <Formula> (3,912)
C19H12O2

>  <MolWeight> (3,912)
272.29738

>  <Item Name> (3,912)
alpha-Naphthoflavone

>  <Catalog Number> (3,912)
S5158

>  <Synonyms> (3,912)
7,8-benzoflavone

>  <Target> (3,912)
Aromatase

>  <Form> (3,912)
free base

>  <URL> (3,912)
http://selleckchem.com/products/alpha-naphthoflavone.html

>  <CAS Number> (3,912)
604-59-1

$$$$
S5213 Piroctone Olamine.cdx
csChFnd80/10101813032D

 21 20  0  0  0  0  0  0  0  0999 V2000
    6.0623    3.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.6355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    4.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5020    3.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    1.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.3462    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2915    5.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5008    4.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7144    2.6477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    6.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    4.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    4.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9678    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1802    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3927    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,913)
3913

>  <Formula> (3,913)
C16H30N2O3

>  <MolWeight> (3,913)
298.421

>  <Item Name> (3,913)
Piroctone Olamine

>  <Catalog Number> (3,913)
S5213

>  <Synonyms> (3,913)
piroctone ethanolamine

>  <Target> (3,913)
Anti-infection

>  <URL> (3,913)
http://selleckchem.com/products/piroctone-olamine.html

>  <CAS Number> (3,913)
68890-66-4

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/10101813032D

 46 49  0  0  0  0  0  0  0  0999 V2000
    7.3937    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8263    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8363    6.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4840    5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4941    6.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    8.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2087    8.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1987    7.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    5.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    6.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6915    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1242    9.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4936    9.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    8.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9977    7.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9262   10.8811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2956   11.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6579   12.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2855   10.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6378   10.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6278    9.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9801    9.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3424   11.2693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3525   12.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0002   11.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6947   11.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9362   11.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4689    4.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6813    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2565    4.0011    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.9565    2.7886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5565    5.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0440    3.3011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 10  1  0  0  0  0
  2 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 15  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 22 27  2  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 37  1  0  0  0  0
 35 38  1  0  0  0  0
 31 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 39  1  0  0  0  0
 25 28  1  0  0  0  0
 21 22  1  0  0  0  0
 14 21  1  0  0  0  0
  3 14  2  0  0  0  0
 12 40  1  0  0  0  0
 41 42  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  2  0  0  0  0
 43 46  1  0  0  0  0
 41 43  1  0  0  0  0
M  END
>  <Mol_ID> (3,914)
3914

>  <Formula> (3,914)
C33H39N5O7S

>  <MolWeight> (3,914)
649.75706

>  <Item Name> (3,914)
Nintedanib Ethanesulfonate Salt

>  <Catalog Number> (3,914)
S5234

>  <Synonyms> (3,914)
Intedanib, BIBF 1120

>  <Target> (3,914)
VEGFR,FGFR,PDGFR

>  <Form> (3,914)
ethanesulfonate 

>  <URL> (3,914)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

>  <CAS Number> (3,914)
656247-18-6

$$$$
S5237 Dihydroartemisinic acid.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.1399    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1399    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3523    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7772    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9896    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2020    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1399    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 10 16  1  6  0  0  0
  6 17  1  6  0  0  0
  5 18  1  6  0  0  0
  7 19  1  6  0  0  0
  3 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,915)
3915

>  <Formula> (3,915)
C15H24O2

>  <MolWeight> (3,915)
236.34986

>  <Item Name> (3,915)
Dihydroartemisinic acid

>  <Catalog Number> (3,915)
S5237

>  <Synonyms> (3,915)
N/A

>  <Target> (3,915)
Others

>  <Form> (3,915)
free base

>  <URL> (3,915)
http://selleckchem.com/products/dihydroartemisinic-acid.html

>  <CAS Number> (3,915)
85031-59-0

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/10101813032D

 41 44  0  0  0  0  0  0  0  0999 V2000
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    9.6166    2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    3.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6166    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    7.8882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8912    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1036    7.8882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9633    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9591    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1715    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9591    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  6  7  2  0  0  0  0
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  1 10  2  0  0  0  0
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 15 19  1  0  0  0  0
 14 15  1  0  0  0  0
  8 11  1  0  0  0  0
 20 21  1  0  0  0  0
  7 20  1  0  0  0  0
 23 24  1  0  0  0  0
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 30 31  1  0  0  0  0
 23 31  1  0  0  0  0
 26 31  2  0  0  0  0
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 27 33  1  0  0  0  0
 22 28  1  0  0  0  0
  4 22  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 35 39  1  0  0  0  0
 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
M  END
>  <Mol_ID> (3,916)
3916

>  <Formula> (3,916)
C29H31FN4O7

>  <MolWeight> (3,916)
566.5774432

>  <Item Name> (3,916)
Cediranib Maleate

>  <Catalog Number> (3,916)
S5242

>  <Synonyms> (3,916)
AZD-2171 maleate

>  <Target> (3,916)
VEGFR

>  <Form> (3,916)
maleate

>  <URL> (3,916)
http://selleckchem.com/products/cediranib-maleate.html

>  <CAS Number> (3,916)
 857036-77-2

$$$$
S5248 Apatinib.cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6340    4.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    4.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045    2.1152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4082    2.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    4.1964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6294    2.1051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0555    4.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2762    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5005    6.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5005    4.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2336    5.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6243    5.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7149    7.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8551    8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
  7 10  1  0  0  0  0
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 13 14  2  0  0  0  0
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 18 19  1  0  0  0  0
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 18 22  1  0  0  0  0
 23 24  3  0  0  0  0
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 15 18  1  0  0  0  0
  9 12  1  0  0  0  0
 11 25  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,917)
3917

>  <Formula> (3,917)
C24H23N5O

>  <MolWeight> (3,917)
397.47232

>  <Item Name> (3,917)
Apatinib

>  <Catalog Number> (3,917)
S5248

>  <Synonyms> (3,917)
YN968D1

>  <Target> (3,917)
VEGFR,c-RET

>  <Form> (3,917)
free base

>  <URL> (3,917)
http://selleckchem.com/products/apatinib.html

>  <CAS Number> (3,917)
811803-05-1

$$$$
S5256 Benproperine phosphate.cdx
csChFnd80/10101813032D

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.4512    0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4521    2.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6637    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    2.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
M  END
>  <Mol_ID> (3,918)
3918

>  <Formula> (3,918)
C21H30NO5P

>  <MolWeight> (3,918)
407.440361

>  <Item Name> (3,918)
Benproperine phosphate

>  <Catalog Number> (3,918)
S5256

>  <Synonyms> (3,918)
Blascorid, Pirexyl phosphate

>  <Target> (3,918)
Others

>  <Form> (3,918)
phosphate 

>  <URL> (3,918)
http://selleckchem.com/products/benproperine-phosphate.html

>  <CAS Number> (3,918)
19428-14-9

$$$$
S5258 Revefenacin.cdx
csChFnd80/10101813032D

 44 48  0  0  0  0  0  0  0  0999 V2000
    4.8496    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8496    2.7998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2123    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    6.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Revefenacin

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>  <Synonyms> (3,919)
TD-4208, GSK-1160724

>  <Target> (3,919)
AChR

>  <URL> (3,919)
http://selleckchem.com/products/revefenacin.html

>  <CAS Number> (3,919)
864750-70-9

$$$$
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csChFnd80/10101813032D

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>  <Mol_ID> (3,920)
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>  <Formula> (3,920)
C14H18O3

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Stiripentol

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S5266

>  <Synonyms> (3,920)
BCX2600

>  <Target> (3,920)
Others

>  <URL> (3,920)
http://selleckchem.com/products/stiripentol.html

>  <CAS Number> (3,920)
49763-96-4

$$$$
S5281 Dapiprazole Hydrochloride.cdx
csChFnd80/10101813032D

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3921

>  <Formula> (3,921)
C19H28ClN5

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>  <Item Name> (3,921)
Dapiprazole Hydrochloride

>  <Catalog Number> (3,921)
S5281

>  <Synonyms> (3,921)
Glamidolo Hydrochloride, Reversil Hydrochloride

>  <Target> (3,921)
Adrenergic Receptor

>  <Form> (3,921)
hydrochloride

>  <URL> (3,921)
http://selleckchem.com/products/dapiprazole-hydrochloride.html

>  <CAS Number> (3,921)
72822-13-0

$$$$
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csChFnd80/10101813032D

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3922

>  <Formula> (3,922)
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>  <MolWeight> (3,922)
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AWD 131-138

>  <Catalog Number> (3,922)
S5319

>  <Synonyms> (3,922)
Imepitoin, ELB-138

>  <Target> (3,922)
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free base

>  <URL> (3,922)
http://selleckchem.com/products/awd-131-138.html

>  <CAS Number> (3,922)
188116-07-6

$$$$
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csChFnd80/10101813032D

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 36 32  1  0  0  0  0
 37 32  1  0  0  0  0
M  END
>  <Mol_ID> (3,923)
3923

>  <Formula> (3,923)
C21H27N5O9S2

>  <MolWeight> (3,923)
557.59718

>  <Item Name> (3,923)
Cefpodoxime proxetil

>  <Catalog Number> (3,923)
S5350

>  <Synonyms> (3,923)
N/A

>  <Target> (3,923)
Anti-infection

>  <Form> (3,923)
free base

>  <URL> (3,923)
http://selleckchem.com/products/cefpodoxime-proxetil.html

>  <CAS Number> (3,923)
87239-81-4

$$$$
S5355 Piperaquine phosphate.cdx
csChFnd80/10101813032D

 42 46  0  0  0  0  0  0  0  0999 V2000
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   13.3368    3.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0394    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  2  0  0  0  0
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 28 30  1  0  0  0  0
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 30 33  1  0  0  0  0
 30 34  2  0  0  0  0
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 32 34  1  0  0  0  0
 33 36  2  0  0  0  0
 35 36  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (3,924)
3924

>  <Formula> (3,924)
C29H35Cl2N6O4P

>  <MolWeight> (3,924)
633.505761

>  <Item Name> (3,924)
Piperaquine phosphate

>  <Catalog Number> (3,924)
S5355

>  <Synonyms> (3,924)
N/A

>  <Target> (3,924)
Anti-infection

>  <Form> (3,924)
phosphate 

>  <URL> (3,924)
http://selleckchem.com/products/piperaquine-phosphate.html

>  <CAS Number> (3,924)
85547-56-4

$$$$
S5359 Butoconazole.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.7834    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    4.4834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.6834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
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M  END
>  <Mol_ID> (3,925)
3925

>  <Formula> (3,925)
C19H17Cl3N2S

>  <MolWeight> (3,925)
411.77568

>  <Item Name> (3,925)
Butoconazole

>  <Catalog Number> (3,925)
S5359

>  <Synonyms> (3,925)
N/A

>  <Target> (3,925)
Anti-infection

>  <Form> (3,925)
free base

>  <URL> (3,925)
http://selleckchem.com/products/butoconazole.html

>  <CAS Number> (3,925)
64872-76-0

$$$$
S5362 Citicholine.cdx
csChFnd80/10101813032D

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.8356    3.9789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6281    3.2750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1228    3.4156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9794    5.3740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4111    3.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6362    1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0554    4.4646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3469    5.6739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.0334    3.0643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3876    1.5538    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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   11.1330    0.9758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9725    0.2844    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.8080    1.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0858    1.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2183    1.1304    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   18.0328    2.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4191    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3596    0.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (3,926)
3926

>  <Formula> (3,926)
C14H26N4O11P2

>  <MolWeight> (3,926)
488.323962

>  <Item Name> (3,926)
Citicholine

>  <Catalog Number> (3,926)
S5362

>  <Synonyms> (3,926)
CDP-choline, cytidine 5'-diphosphocholine

>  <Target> (3,926)
Others

>  <Form> (3,926)
inner salt

>  <URL> (3,926)
http://selleckchem.com/products/citicholine.html

>  <CAS Number> (3,926)
987-78-0

$$$$
S5363 Pikamilone.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
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  4  8  1  0  0  0  0
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  7 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,927)
3927

>  <Formula> (3,927)
C10H12N2O3

>  <MolWeight> (3,927)
208.21388

>  <Item Name> (3,927)
Pikamilone

>  <Catalog Number> (3,927)
S5363

>  <Synonyms> (3,927)
N/A

>  <Target> (3,927)
Others

>  <Form> (3,927)
free base

>  <URL> (3,927)
http://selleckchem.com/products/pikamilone.html

>  <CAS Number> (3,927)
34562-97-5

$$$$
S5364 DY131.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,928)
3928

>  <Formula> (3,928)
C18H21N3O2

>  <MolWeight> (3,928)
311.37824

>  <Item Name> (3,928)
DY131

>  <Catalog Number> (3,928)
S5364

>  <Synonyms> (3,928)
N/A

>  <Target> (3,928)
Estrogen/progestogen Receptor

>  <Form> (3,928)
free base

>  <URL> (3,928)
http://selleckchem.com/products/dy131.html

>  <CAS Number> (3,928)
95167-41-2

$$$$
S5366 Fipronil.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,929)
3929

>  <Formula> (3,929)
C12H4Cl2F6N4OS

>  <MolWeight> (3,929)
437.1477792

>  <Item Name> (3,929)
Fipronil

>  <Catalog Number> (3,929)
S5366

>  <Synonyms> (3,929)
Fluocyanobenpyrazole, Termidor

>  <Target> (3,929)
Anti-infection

>  <Form> (3,929)
free base

>  <URL> (3,929)
http://selleckchem.com/products/fipronil.html

>  <CAS Number> (3,929)
120068-37-3

$$$$
S5367 Ethyl Oleate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,930)
3930

>  <Formula> (3,930)
C20H38O2

>  <MolWeight> (3,930)
310.51452

>  <Item Name> (3,930)
Ethyl Oleate

>  <Catalog Number> (3,930)
S5367

>  <Synonyms> (3,930)
Oleic acid ethyl ester

>  <Target> (3,930)
Others

>  <Form> (3,930)
free base

>  <URL> (3,930)
http://selleckchem.com/products/ethyl-oleate.html

>  <CAS Number> (3,930)
111-62-6 

$$$$
S5368 Lactitol.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,931)
3931

>  <Formula> (3,931)
C12H24O11

>  <MolWeight> (3,931)
344.31236

>  <Item Name> (3,931)
Lactitol

>  <Catalog Number> (3,931)
S5368

>  <Synonyms> (3,931)
N/A

>  <Target> (3,931)
Others

>  <Form> (3,931)
free base

>  <URL> (3,931)
http://selleckchem.com/products/lactitol.html

>  <CAS Number> (3,931)
 585-86-4

$$$$
S5374 5'-Cytidylic acid.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,932)
3932

>  <Formula> (3,932)
C9H14N3O8P

>  <MolWeight> (3,932)
323.196521

>  <Item Name> (3,932)
5'-Cytidylic acid

>  <Catalog Number> (3,932)
S5374

>  <Synonyms> (3,932)
Cytidine monophosphate, Cytidine 5'-phosphate

>  <Target> (3,932)
DNA/RNA Synthesis

>  <Form> (3,932)
free base

>  <URL> (3,932)
http://selleckchem.com/products/5-cytidylic-acid.html

>  <CAS Number> (3,932)
63-37-6 

$$$$
S5375 ¦Ã-Decalactone.cdx
csChFnd80/10101813032D

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   10.8827    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (3,933)
3933

>  <Formula> (3,933)
C10H18O2

>  <MolWeight> (3,933)
170.24872

>  <Item Name> (3,933)
¦Ã-Decalactone

>  <Catalog Number> (3,933)
S5375

>  <Synonyms> (3,933)
4-Decanolide, 5-Hexyldihydro-2(3H)-furanone

>  <Target> (3,933)
Others

>  <Form> (3,933)
free base

>  <URL> (3,933)
http://selleckchem.com/products/decalactone.html

>  <CAS Number> (3,933)
706-14-9

$$$$
S5376 Decyl aldehyde.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,934)
3934

>  <Formula> (3,934)
C10H20O

>  <MolWeight> (3,934)
156.2652

>  <Item Name> (3,934)
Decyl aldehyde

>  <Catalog Number> (3,934)
S5376

>  <Synonyms> (3,934)
Decanal, Capraldehyde, Decanaldehyde

>  <Target> (3,934)
Others

>  <Form> (3,934)
free base

>  <URL> (3,934)
http://selleckchem.com/products/decyl-aldehyde.html

>  <CAS Number> (3,934)
112-31-2

$$$$
S5377 Dibutyl phthalate.cdx
csChFnd80/10101813032D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,935)
3935

>  <Formula> (3,935)
C16H22O4

>  <MolWeight> (3,935)
278.34348

>  <Item Name> (3,935)
Dibutyl phthalate

>  <Catalog Number> (3,935)
S5377

>  <Synonyms> (3,935)
N/A

>  <Target> (3,935)
Others

>  <Form> (3,935)
free base

>  <URL> (3,935)
http://selleckchem.com/products/dibutyl-phthalate.html

>  <CAS Number> (3,935)
84-74-2

$$$$
S5378 Dimethyl phthalate.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4240    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    3.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    1.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2175    4.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8476    2.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8552    3.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    5.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034    3.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0855    4.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0425    1.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,936)
3936

>  <Formula> (3,936)
C10H10O4

>  <MolWeight> (3,936)
194.184

>  <Item Name> (3,936)
Dimethyl phthalate

>  <Catalog Number> (3,936)
S5378

>  <Synonyms> (3,936)
N/A

>  <Target> (3,936)
Others

>  <URL> (3,936)
http://selleckchem.com/products/dimethyl-phthalate.html

>  <CAS Number> (3,936)
131-11-3

$$$$
S5379 Fenchyl Alcohol.cdx
csChFnd80/10101813032D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.6570    2.0655    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9981    1.3444    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8074    4.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3267    1.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9817    2.6564    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4331    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3708    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5391    2.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6790    1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9570    0.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,937)
3937

>  <Formula> (3,937)
C10H18O

>  <MolWeight> (3,937)
154.24932

>  <Item Name> (3,937)
Fenchyl Alcohol

>  <Catalog Number> (3,937)
S5379

>  <Synonyms> (3,937)
N/A

>  <Target> (3,937)
Others

>  <Form> (3,937)
free base

>  <URL> (3,937)
http://selleckchem.com/products/fenchyl-alcohol.html

>  <CAS Number> (3,937)
1632-73-1 

$$$$
S5380 7-Hydroxyflavone.cdx
csChFnd80/10101813032D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 10 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,938)
3938

>  <Formula> (3,938)
C15H10O3

>  <MolWeight> (3,938)
238.2381

>  <Item Name> (3,938)
7-Hydroxyflavone

>  <Catalog Number> (3,938)
S5380

>  <Synonyms> (3,938)
N/A

>  <Form> (3,938)
free base

>  <URL> (3,938)
http://selleckchem.com/products/7-hydroxyflavone.html

>  <CAS Number> (3,938)
6665-86-7 

$$$$
S5381 Behenic Acid.cdx
csChFnd80/10101813032D

 24 23  0  0  0  0  0  0  0  0999 V2000
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
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  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,939)
3939

>  <Formula> (3,939)
C22H44O2

>  <MolWeight> (3,939)
340.58356

>  <Item Name> (3,939)
Behenic Acid

>  <Catalog Number> (3,939)
S5381

>  <Synonyms> (3,939)
docosanoic acid

>  <Target> (3,939)
Others

>  <Form> (3,939)
free base

>  <URL> (3,939)
http://selleckchem.com/products/behenic-acid.html

>  <CAS Number> (3,939)
112-85-6 

$$$$
S5382 Formate.cdx
csChFnd80/10101813032D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
M  END
>  <Mol_ID> (3,940)
3940

>  <Formula> (3,940)
CH2O2

>  <MolWeight> (3,940)
46.02538

>  <Item Name> (3,940)
Formate

>  <Catalog Number> (3,940)
S5382

>  <Synonyms> (3,940)
N/A

>  <Target> (3,940)
Others

>  <Form> (3,940)
free base

>  <URL> (3,940)
http://selleckchem.com/products/formate.html

>  <CAS Number> (3,940)
64-18-6

$$$$
S5383 Erucic acid.cdx
csChFnd80/10101813032D

 24 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  3  5  1  0  0  0  0
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  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,941)
3941

>  <Formula> (3,941)
C22H42O2

>  <MolWeight> (3,941)
338.56768

>  <Item Name> (3,941)
Erucic acid

>  <Catalog Number> (3,941)
S5383

>  <Synonyms> (3,941)
cis-13-docosenoic acid

>  <Target> (3,941)
Others

>  <Form> (3,941)
free base

>  <URL> (3,941)
http://selleckchem.com/products/erucic-acid.html

>  <CAS Number> (3,941)
112-86-7

$$$$
S5384 UTP, Trisodium Salt.cdx
csChFnd80/10101813032D

 32 30  0  0  0  0  0  0  0  0999 V2000
   11.8308    6.4994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8308    7.8994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6979    5.6850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9489    5.6779    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6136    8.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0507    8.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1209    4.3554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5023    4.3434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2832    6.1020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6187   10.0204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8780    0.8780    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
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 10 15  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
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 18 20  2  0  0  0  0
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 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,942)
3942

>  <Formula> (3,942)
C9H12N2Na3O15P3

>  <MolWeight> (3,942)
550.086573

>  <Item Name> (3,942)
UTP, Trisodium Salt

>  <Catalog Number> (3,942)
S5384

>  <Synonyms> (3,942)
N/A

>  <Target> (3,942)
DNA/RNA Synthesis

>  <Form> (3,942)
Trisodium salt

>  <URL> (3,942)
http://selleckchem.com/products/utp-trisodium-salt.html

>  <CAS Number> (3,942)
19817-92-6 

$$$$
S5390 N-(Hytroxymethy)micotinamide.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4340    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340    0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8589    2.0947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2837    2.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,943)
3943

>  <Formula> (3,943)
C7H8N2O2

>  <MolWeight> (3,943)
152.15062

>  <Item Name> (3,943)
N-(Hytroxymethy)micotinamide

>  <Catalog Number> (3,943)
S5390

>  <Synonyms> (3,943)
Nikomethamide, Bilamid, N-hydroxymethylnicotinamide

>  <Target> (3,943)
Anti-infection

>  <Form> (3,943)
free base

>  <URL> (3,943)
http://selleckchem.com/products/n-hytroxymethy-micotinamide.html

>  <CAS Number> (3,943)
3569-99-1

$$$$
Tegaserod maleate.cdx
csChFnd80/10101813032D

 30 30  0  0  0  0  0  0  0  0999 V2000
    4.8938    1.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1104    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3228    1.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5353    2.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7477    1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9601    2.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7477    0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1726    1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3850    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5974    1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8099    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0223    1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6450    6.6921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 11 12  1  0  0  0  0
  1 13  1  0  0  0  0
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 16  1  2  0  0  0  0
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 17 18  2  0  0  0  0
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 23 24  2  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 25 29  1  0  0  0  0
 25 30  2  0  0  0  0
M  END
>  <Mol_ID> (3,944)
3944

>  <Formula> (3,944)
C20H27N5O5

>  <MolWeight> (3,944)
417.45888

>  <Item Name> (3,944)
Tegaserod Maleate

>  <Catalog Number> (3,944)
S5401

>  <Synonyms> (3,944)
N/A

>  <Target> (3,944)
5-HT Receptor

>  <Form> (3,944)
maleate

>  <URL> (3,944)
http://selleckchem.com/products/tegaserod-maleate.html

>  <CAS Number> (3,944)
189188-57-6

$$$$
S5407 Squalane.cdx
csChFnd80/10101813032D

 30 29  0  0  0  0  0  0  0  0999 V2000
   21.8238    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.6114    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   26.6736    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  6  8  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,945)
3945

>  <Formula> (3,945)
C30H62

>  <MolWeight> (3,945)
422.81328

>  <Item Name> (3,945)
Squalane

>  <Catalog Number> (3,945)
S5407

>  <Synonyms> (3,945)
Perhydrosqualene, Dodecahydrosqualene

>  <Target> (3,945)
Others

>  <Form> (3,945)
free base

>  <URL> (3,945)
http://selleckchem.com/products/squalane.html

>  <CAS Number> (3,945)
 111-01-3

$$$$
S5408 Isoprene.cdx
csChFnd80/10101813032D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4059    1.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4059    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6206    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
M  END
>  <Mol_ID> (3,946)
3946

>  <Formula> (3,946)
C5H8

>  <MolWeight> (3,946)
68.11702

>  <Item Name> (3,946)
Isoprene

>  <Catalog Number> (3,946)
S5408

>  <Synonyms> (3,946)
2-Methyl-1,3-butadiene

>  <Target> (3,946)
Others

>  <Form> (3,946)
free base

>  <URL> (3,946)
http://selleckchem.com/products/isoprene.html

>  <CAS Number> (3,946)
78-79-5

$$$$
S5409 Chelidamic acid hydrate.cdx
csChFnd80/10101813032D

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.4244    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    1.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    3.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    1.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8461    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.0008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456    3.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    2.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    3.3745    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6  9  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
A   14
xH2O
M  END
>  <Mol_ID> (3,947)
3947

>  <Formula> (3,947)
C7H5NO5R

>  <MolWeight> (3,947)
183.1183

>  <Item Name> (3,947)
Chelidamic acid hydrate

>  <Catalog Number> (3,947)
S5409

>  <Synonyms> (3,947)
N/A

>  <Target> (3,947)
Others

>  <Form> (3,947)
hydrate

>  <URL> (3,947)
http://selleckchem.com/products/chelidamic-acid-hydrate.html

>  <CAS Number> (3,947)
138-60-3

$$$$
S5410 Chloramphenicol sodium succinate.cdx
csChFnd80/10101813032D

 28 27  0  0  0  0  0  0  0  0999 V2000
    7.2579    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0455    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2579    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8330    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0455    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6828    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    4.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8369    2.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4704    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6828    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8952    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035    4.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6474    2.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2579    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6828    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1077    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8952    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4121    2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3201    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997    2.0478    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5325    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997    0.6333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7405    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5325    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7450    4.9000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   17.1493    4.9559    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,948)
3948

>  <Formula> (3,948)
C15H15Cl2N2NaO8

>  <MolWeight> (3,948)
445.18397

>  <Item Name> (3,948)
Chloramphenicol sodium succinate

>  <Catalog Number> (3,948)
S5410

>  <Synonyms> (3,948)
N/A

>  <Target> (3,948)
Anti-infection

>  <Form> (3,948)
sodium salt

>  <URL> (3,948)
http://selleckchem.com/products/chloramphenicol-sodium-succinate.html

>  <CAS Number> (3,948)
982-57-0

$$$$
S5419 1,4-Cineole.cdx
csChFnd80/10101813032D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.2687    2.3659    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4116    4.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7238    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5701    1.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3340    1.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6680    3.1513    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1100    2.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9078    2.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7689    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137    4.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,949)
3949

>  <Formula> (3,949)
C10H18O

>  <MolWeight> (3,949)
154.24932

>  <Item Name> (3,949)
1,4-Cineole

>  <Catalog Number> (3,949)
S5419

>  <Synonyms> (3,949)
Isocineole

>  <Target> (3,949)
Others

>  <Form> (3,949)
free base

>  <URL> (3,949)
http://selleckchem.com/products/1-4-cineole.html

>  <CAS Number> (3,949)
470-67-7

$$$$
S5422 Trimethyloctadecylammonium bromide.cdx
csChFnd80/10101813032D

 23 21  0  0  0  0  0  0  0  0999 V2000
   18.2225    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0175    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4273    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8405    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6696    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5705    2.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9304    2.0858    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.3936    1.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6590    0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2299    3.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5369    3.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1606    1.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0119    1.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7510    1.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5742    1.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3320    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1550    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8942    1.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799    1.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4469    1.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2701    1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5223    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,950)
3950

>  <Formula> (3,950)
C21H46BrN

>  <MolWeight> (3,950)
392.50064

>  <Item Name> (3,950)
Trimethyloctadecylammonium bromide

>  <Catalog Number> (3,950)
S5422

>  <Synonyms> (3,950)
Octadecyltrimethylammonium bromide

>  <Target> (3,950)
Dynamin

>  <Form> (3,950)
bromide 

>  <URL> (3,950)
http://selleckchem.com/products/trimethyloctadecylammonium-bromide.html

>  <CAS Number> (3,950)
1120-02-1

$$$$
S5423 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride.cdx
csChFnd80/10101813032D

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3286    4.8156    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2285    3.2569    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4714    1.1636    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  3  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 12  4  1  0  0  0  0
 11  5  1  0  0  0  0
 13 10  1  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,951)
3951

>  <Formula> (3,951)
C8H6Cl2F3NO

>  <MolWeight> (3,951)
260.0405496

>  <Item Name> (3,951)
4-Chloro-2-(trifluoroacetyl)aniline hydrochl

>  <Catalog Number> (3,951)
S5423

>  <Synonyms> (3,951)
N/A

>  <Target> (3,951)
Reverse Transcriptase

>  <Form> (3,951)
hydrochloride 

>  <URL> (3,951)
http://selleckchem.com/products/4-chloro-2-trifluoroacetyl-aniline-hydrochloride.html

>  <CAS Number> (3,951)
173676-59-0

$$$$
S5424 Carbaryl.cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4343    2.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4187    0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    4.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8461    2.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2191    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0089    2.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    4.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8463    0.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    6.3040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2668    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,952)
3952

>  <Formula> (3,952)
C12H11NO2

>  <MolWeight> (3,952)
201.22124

>  <Item Name> (3,952)
Carbaryl

>  <Catalog Number> (3,952)
S5424

>  <Synonyms> (3,952)
1-naphthyl methylcarbamate

>  <Target> (3,952)
Others

>  <Form> (3,952)
free base

>  <URL> (3,952)
http://selleckchem.com/products/carbaryl.html

>  <CAS Number> (3,952)
63-25-2

$$$$
S5425 Phenylglyoxal hydrate.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4254    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8503    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005    2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0630    1.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,953)
3953

>  <Formula> (3,953)
C8H8O3

>  <MolWeight> (3,953)
152.14732

>  <Item Name> (3,953)
Phenylglyoxal hydrate

>  <Catalog Number> (3,953)
S5425

>  <Synonyms> (3,953)
1-Phenylethanedione hydrate

>  <Target> (3,953)
Dehydrogenase

>  <Form> (3,953)
free base

>  <URL> (3,953)
http://selleckchem.com/products/phenylglyoxal-hydrate.html

>  <CAS Number> (3,953)
1075-06-5

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/10101813032D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,954)
3954

>  <Formula> (3,954)
C3H3BrO3

>  <MolWeight> (3,954)
166.95812

>  <Item Name> (3,954)
Bromopyruvic acid

>  <Catalog Number> (3,954)
S5426

>  <Synonyms> (3,954)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (3,954)
Others

>  <Form> (3,954)
free base

>  <URL> (3,954)
http://selleckchem.com/products/bromopyruvic-acid.html

>  <CAS Number> (3,954)
1113-59-3

$$$$
S5427 Alloxazine.cdx
csChFnd80/10101813032D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,955)
3955

>  <Formula> (3,955)
C10H6N4O2

>  <MolWeight> (3,955)
214.18024

>  <Item Name> (3,955)
Alloxazine

>  <Catalog Number> (3,955)
S5427

>  <Synonyms> (3,955)
Isoalloxazine

>  <Target> (3,955)
Adenosine Receptor

>  <Form> (3,955)
free base

>  <URL> (3,955)
http://selleckchem.com/products/alloxazine.html

>  <CAS Number> (3,955)
490-59-5

$$$$
S5428 Promazine Hydrochloride.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.6536    2.8189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8606    2.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4358    2.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    4.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0784    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2288    2.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8825    4.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317    0.0190    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2854    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    0.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110    2.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0894    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    0.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3073    4.8904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3182    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5142    4.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3313    1.4664    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,956)
3956

>  <Formula> (3,956)
C17H21ClN2S

>  <MolWeight> (3,956)
320.88004

>  <Item Name> (3,956)
Promazine hydrochloride

>  <Catalog Number> (3,956)
S5428

>  <Synonyms> (3,956)
Romtiazin hydrochloride, Sinophenin hydrochloride

>  <Target> (3,956)
Dopamine Receptor,5-HT Receptor

>  <Form> (3,956)
hydrochloride 

>  <URL> (3,956)
http://selleckchem.com/products/promazine-hydrochloride.html

>  <CAS Number> (3,956)
53-60-1

$$$$
S5429 Diallyl sulfide.cdx
csChFnd80/10101813032D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.6624    0.6873    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8787    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1052    0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2265    0.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (3,957)
3957

>  <Formula> (3,957)
C6H10S

>  <MolWeight> (3,957)
114.2086

>  <Item Name> (3,957)
Diallyl sulfide

>  <Catalog Number> (3,957)
S5429

>  <Synonyms> (3,957)
Allyl Sulfide

>  <Target> (3,957)
P450 (e.g. CYP17)

>  <Form> (3,957)
free base

>  <URL> (3,957)
http://selleckchem.com/products/diallyl-sulfide.html

>  <CAS Number> (3,957)
592-88-1

$$$$
S5430 Metoprolol.cdx
csChFnd80/10101813032D

 19 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  2  0  0  0  0
  5 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,958)
3958

>  <Formula> (3,958)
C15H25NO3

>  <MolWeight> (3,958)
267.3639

>  <Item Name> (3,958)
Metoprolol

>  <Catalog Number> (3,958)
S5430

>  <Synonyms> (3,958)
N/A

>  <Target> (3,958)
Adrenergic Receptor

>  <Form> (3,958)
free base

>  <URL> (3,958)
http://selleckchem.com/products/metoprolol.html

>  <CAS Number> (3,958)
51384-51-1

$$$$
S5431 L-Homoarginine hydrochloride.cdx
csChFnd80/10101813032D

 14 12  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.6741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.0741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.6741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.5741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1397    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  6  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,959)
3959

>  <Formula> (3,959)
C7H17ClN4O2

>  <MolWeight> (3,959)
224.68848

>  <Item Name> (3,959)
L-Homoarginine hydrochloride

>  <Catalog Number> (3,959)
S5431

>  <Synonyms> (3,959)
N/A

>  <Target> (3,959)
phosphatase

>  <Form> (3,959)
hydrochloride 

>  <URL> (3,959)
http://selleckchem.com/products/l-homoarginine-hydrochloride.html

>  <CAS Number> (3,959)
1483-01-8

$$$$
S5432 N-(2-Chloroethyl)dibenzylamine Hydrochloride.cdx
csChFnd80/10101813032D

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.8388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.3388    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5824    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,960)
3960

>  <Formula> (3,960)
C16H19Cl2N

>  <MolWeight> (3,960)
296.23476

>  <Item Name> (3,960)
Dibenamine Hydrochloride

>  <Catalog Number> (3,960)
S5432

>  <Synonyms> (3,960)
N-(2-Chloroethyl)dibenzylamine Hydrochloride, Sympatholytin Hydrochloride, Dibenzyl chlorethylamine, 

>  <Target> (3,960)
Adrenergic Receptor

>  <Form> (3,960)
hydrochloride 

>  <URL> (3,960)
http://selleckchem.com/products/dibenamine-hydrochloride.html

>  <CAS Number> (3,960)
55-43-6

$$$$
S5433 Sodium succinate dibasic.cdx
csChFnd80/10101813032D

 10  7  0  0  0  0  0  0  0  0999 V2000
    3.6570    2.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8694    1.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570    3.4956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4446    1.3975    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0818    2.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940    1.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5030    2.0979    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.8438    2.0598    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4035    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,961)
3961

>  <Formula> (3,961)
C4H4Na2O4

>  <MolWeight> (3,961)
162.0517

>  <Item Name> (3,961)
Sodium succinate

>  <Catalog Number> (3,961)
S5433

>  <Synonyms> (3,961)
Sodium 3-carboxypropanoate, Disodium butanedioate

>  <Target> (3,961)
Others

>  <Form> (3,961)
disodium salt

>  <URL> (3,961)
http://selleckchem.com/products/sodium-succinate.html

>  <CAS Number> (3,961)
150-90-3

$$$$
S5434 3-Methylpyrazole-5-carboxylic acid.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4434    2.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    3.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7134    1.4420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309    1.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0300    3.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6865    2.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6446    4.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (3,962)
3962

>  <Formula> (3,962)
C5H6N2O2

>  <MolWeight> (3,962)
126.11334

>  <Item Name> (3,962)
AS057278

>  <Catalog Number> (3,962)
S5434

>  <Synonyms> (3,962)
3-Methylpyrazole-5-carboxylic acid
3-Methylpyrazole-5-carboxylic acid

>  <Target> (3,962)
Others

>  <Form> (3,962)
free base

>  <URL> (3,962)
http://selleckchem.com/products/as057278.html

>  <CAS Number> (3,962)
402-61-9

$$$$
S5435 Quinacrine Dihydrochloride Dihydrate.cdx
csChFnd80/10101813032D

 32 30  0  0  0  0  0  0  0  0999 V2000
   14.9307    2.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1328    2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7080    2.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9307    4.2128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1225    0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3504    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6977    0.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5007    2.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1428    4.9126    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.9050    0.0178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3298    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5602    2.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4802    0.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2832    2.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3713    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1428    6.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5473    0.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7684    2.7842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2704    0.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5512    4.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9805    2.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0621    0.0514    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.7918    4.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9654    4.8459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2090    4.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9654    6.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3811    4.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2095    6.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   23.0400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   23.0400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   23.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   23.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,963)
3963

>  <Formula> (3,963)
C23H36Cl3N3O3

>  <MolWeight> (3,963)
508.90924

>  <Item Name> (3,963)
Quinacrine Dihydrochloride Dihydrate

>  <Catalog Number> (3,963)
S5435

>  <Synonyms> (3,963)
Mepacrine Dihydrochloride Dihydrate

>  <Target> (3,963)
Others

>  <Form> (3,963)
dihydrochloride, dihydrate

>  <URL> (3,963)
http://selleckchem.com/products/quinacrine-dihydrochloride-dihydrate.html

>  <CAS Number> (3,963)
6151-30-0

$$$$
S5437 4,4'-DDE.cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8625    2.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510    2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8625    4.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312    2.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2855    2.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510    4.8991    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    4.8991    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4312    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2855    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5094    2.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5094    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7208    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,964)
3964

>  <Formula> (3,964)
C14H8Cl4

>  <MolWeight> (3,964)
318.02532

>  <Item Name> (3,964)
4,4'-DDE

>  <Catalog Number> (3,964)
S5437

>  <Synonyms> (3,964)
p,p'-DDE; Dichlorodiphenyldichloroethylene; p,p'-dichlorodiphenyldichloroethylene

>  <Target> (3,964)
Estrogen/progestogen Receptor

>  <Form> (3,964)
free base

>  <URL> (3,964)
http://selleckchem.com/products/4-4-dde.html

>  <CAS Number> (3,964)
72-55-9

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,965)
3965

>  <Formula> (3,965)
C12H9ClO2S

>  <MolWeight> (3,965)
252.71666

>  <Item Name> (3,965)
Biphenyl-4-sulfonyl chloride

>  <Catalog Number> (3,965)
S5438

>  <Synonyms> (3,965)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (3,965)
HDAC

>  <Form> (3,965)
free base

>  <URL> (3,965)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

>  <CAS Number> (3,965)
1623-93-4

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/10101813032D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6292    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590    0.2576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8093    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,966)
3966

>  <Formula> (3,966)
C8H6BrN

>  <MolWeight> (3,966)
196.04394

>  <Item Name> (3,966)
5-Bromoindole

>  <Catalog Number> (3,966)
S5439

>  <Synonyms> (3,966)
N/A

>  <Target> (3,966)
GSK-3

>  <Form> (3,966)
free base

>  <URL> (3,966)
http://selleckchem.com/products/5-bromoindole.html

>  <CAS Number> (3,966)
10075-50-0

$$$$
S5440 Berberine Sulfate.cdx
csChFnd80/10101813032D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9906    8.3694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3829    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1300    2.5311    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5300    2.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1300    1.1311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1300    3.9311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7300    2.5311    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
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 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (3,967)
3967

>  <Formula> (3,967)
C20H19NO8S

>  <MolWeight> (3,967)
433.43176

>  <Item Name> (3,967)
Berberine Sulfate

>  <Catalog Number> (3,967)
S5440

>  <Synonyms> (3,967)
Umbellatine Sulfate

>  <Target> (3,967)
Anti-infection

>  <Form> (3,967)
sulfate 

>  <URL> (3,967)
http://selleckchem.com/products/berberine-sulfate.html

>  <CAS Number> (3,967)
633-66-9

$$$$
S5441 1-Naphthyl phosphate potassium salt.cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.4247    2.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424    0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281    2.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6636    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2389    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    2.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6104    4.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0177    0.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8139    4.9457    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.0986    6.1492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292    3.7422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0174    5.6610    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1797    5.6701    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,968)
3968

>  <Formula> (3,968)
C10H8KO4P

>  <MolWeight> (3,968)
262.240181

>  <Item Name> (3,968)
1-Naphthyl phosphate potassium salt

>  <Catalog Number> (3,968)
S5441

>  <Synonyms> (3,968)
¦Á-Naphthyl acid phosphate monopotassium salt

>  <Target> (3,968)
phosphatase

>  <Form> (3,968)
potassium salt

>  <URL> (3,968)
http://selleckchem.com/products/1-naphthyl-phosphate-potassium-salt.html

>  <CAS Number> (3,968)
100929-85-9

$$$$
S5444 4-Bromo-3-hydroxybenzoic acid.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2108    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6357    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    3.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2076    3.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3944    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    4.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8401    5.6055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0574    3.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1  8  1  0  0  0  0
  1  2  2  0  0  0  0
  2  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,969)
3969

>  <Formula> (3,969)
C7H5BrO3

>  <MolWeight> (3,969)
217.0168

>  <Item Name> (3,969)
4-Bromo-3-hydroxybenzoic acid

>  <Catalog Number> (3,969)
S5444

>  <Synonyms> (3,969)
N/A

>  <Target> (3,969)
Decarboxylase

>  <Form> (3,969)
free base

>  <URL> (3,969)
http://selleckchem.com/products/4-bromo-3-hydroxybenzoic-acid.html

>  <CAS Number> (3,969)
14348-38-0

$$$$
S5445 AMI-1, free acid.cdx
csChFnd80/10101813032D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.8451    1.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8451    3.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    1.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0559    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    4.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    4.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    1.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2726    1.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4226    3.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    5.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2781    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.2163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9121    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3353    1.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    3.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5483    1.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5483    3.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7604    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7606    4.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9730    1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9729    3.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7606    5.4169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1854    1.2169    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.3978    0.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4850    0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
  8 13  1  0  0  0  0
  8 11  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 29  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (3,970)
3970

>  <Formula> (3,970)
C21H16N2O9S2

>  <MolWeight> (3,970)
504.48974

>  <Item Name> (3,970)
AMI-1, free acid

>  <Catalog Number> (3,970)
S5445

>  <Synonyms> (3,970)
N/A

>  <Target> (3,970)
Histone Methyltransferase

>  <Form> (3,970)
free base

>  <URL> (3,970)
http://selleckchem.com/products/ami-1-free-acid.html

>  <CAS Number> (3,970)
134-47-4

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.5219    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    2.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    2.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610    1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    2.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    3.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    3.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5219    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7698    2.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    1.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378    4.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9022    1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,971)
3971

>  <Formula> (3,971)
C11H12O4

>  <MolWeight> (3,971)
208.21058

>  <Item Name> (3,971)
Ferulic acid methyl ester

>  <Catalog Number> (3,971)
S5451

>  <Synonyms> (3,971)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (3,971)
Immunology & Inflammation related

>  <Form> (3,971)
free base

>  <URL> (3,971)
http://selleckchem.com/products/ferulic-acid-methylester.html

>  <CAS Number> (3,971)
2309-07-1

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/10101813032D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.7157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    3.6373    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.8157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8525    3.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9852    1.5035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
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 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,972)
3972

>  <Formula> (3,972)
C20H14ClNO4

>  <MolWeight> (3,972)
367.78246

>  <Item Name> (3,972)
Sanguinarine chloride

>  <Catalog Number> (3,972)
S5452

>  <Synonyms> (3,972)
N/A

>  <Target> (3,972)
phosphatase

>  <Form> (3,972)
chloride 

>  <URL> (3,972)
http://selleckchem.com/products/sanguinarine-chloride.html

>  <CAS Number> (3,972)
5578-73-4

$$$$
S5453 Hyperoside.cdx
csChFnd80/10101813032D

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9009    8.4189    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1243    6.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6776   10.5126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1097    9.1252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1316    4.9252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
 12  6  1  1  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  6  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  1  0  0  0
 25 31  1  1  0  0  0
 25 29  1  0  0  0  0
 29 32  1  1  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (3,973)
3973

>  <Formula> (3,973)
C21H20O12

>  <MolWeight> (3,973)
464.3763

>  <Item Name> (3,973)
Hyperoside

>  <Catalog Number> (3,973)
S5453

>  <Synonyms> (3,973)
Hyperin, Quercetin 3-galactoside

>  <Target> (3,973)
Others

>  <Form> (3,973)
free base

>  <URL> (3,973)
http://selleckchem.com/products/hyperoside.html

>  <CAS Number> (3,973)
482-36-0

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/10101813032D

 60 67  0  0  0  0  0  0  0  0999 V2000
    1.2167    4.1933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2167    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4269    2.0966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    4.9015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8429    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2668    2.0888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4745    2.7842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4801    4.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    4.8862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0491    4.1881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6808    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1046    2.0888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.8871    4.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3178    4.1841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3070    2.7913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   18.1711    6.9274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3735    6.1992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5985    6.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6319    8.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4295    9.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1937    8.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
  4  7  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
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  8  7  1  1  0  0  0
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 31 36  1  0  0  0  0
 32 33  1  0  0  0  0
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 15 18  1  0  0  0  0
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 16 20  1  0  0  0  0
  6 38  1  1  0  0  0
 19 17  1  0  0  0  0
  2 39  1  1  0  0  0
 17 18  1  0  0  0  0
  1 40  1  6  0  0  0
 19 20  1  0  0  0  0
  4 41  1  6  0  0  0
  1  6  1  0  0  0  0
  3 42  1  6  0  0  0
  2  3  1  0  0  0  0
  9 43  1  6  0  0  0
  3  4  1  0  0  0  0
 10 44  1  6  0  0  0
  4  5  1  0  0  0  0
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 20 21  1  0  0  0  0
 28 47  1  6  0  0  0
 21 22  1  0  0  0  0
 30 48  1  6  0  0  0
 22 24  1  0  0  0  0
 12 49  1  1  0  0  0
 23 24  1  0  0  0  0
 16 50  1  1  0  0  0
  5  6  1  0  0  0  0
 19 51  1  1  0  0  0
  8 13  1  0  0  0  0
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  9 10  1  0  0  0  0
 27 53  1  1  0  0  0
 10 11  1  0  0  0  0
 32 54  1  1  0  0  0
 53 54  1  0  0  0  0
 23 26  1  0  0  0  0
 31 55  1  1  0  0  0
 24 28  1  0  0  0  0
 35 56  1  0  0  0  0
 27 25  1  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  1  0  0  0  0
 16 59  1  0  0  0  0
 11 12  1  0  0  0  0
 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (3,974)
3974

>  <Formula> (3,974)
C42H68O13

>  <MolWeight> (3,974)
780.98152

>  <Item Name> (3,974)
Saikosaponin D

>  <Catalog Number> (3,974)
S5454

>  <Synonyms> (3,974)
N/A

>  <Target> (3,974)
ATPase

>  <Form> (3,974)
free base

>  <URL> (3,974)
http://selleckchem.com/products/saikosaponin-d.html

>  <CAS Number> (3,974)
20874-52-6

$$$$
S5455 Akebia saponin D.cdx
csChFnd80/10101813032D

 67 74  0  0  0  0  0  0  0  0999 V2000
    1.4853   10.4502    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2806    9.0591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3608    8.1737    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (3,975)
3975

>  <Formula> (3,975)
C47H76O18

>  <MolWeight> (3,975)
929.09554

>  <Item Name> (3,975)
Akebia saponin D

>  <Catalog Number> (3,975)
S5455

>  <Synonyms> (3,975)
Asperosaponin VI

>  <Target> (3,975)
Others

>  <Form> (3,975)
free base

>  <URL> (3,975)
http://selleckchem.com/products/akebia-saponin-d.html

>  <CAS Number> (3,975)
39524-08-8

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,976)
3976

>  <Formula> (3,976)
C20H20O4

>  <MolWeight> (3,976)
324.3704

>  <Item Name> (3,976)
Isobavachalcone

>  <Catalog Number> (3,976)
S5456

>  <Synonyms> (3,976)
Corylifolinin

>  <Target> (3,976)
Anti-infection

>  <Form> (3,976)
free base

>  <URL> (3,976)
http://selleckchem.com/products/isobavachalcone.html

>  <CAS Number> (3,976)
20784-50-3

$$$$
S5457 Curculigoside.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,977)
3977

>  <Formula> (3,977)
C22H26O11

>  <MolWeight> (3,977)
466.43524

>  <Item Name> (3,977)
Curculigoside

>  <Catalog Number> (3,977)
S5457

>  <Synonyms> (3,977)
Curculigoside A

>  <Target> (3,977)
Immunology & Inflammation related

>  <Form> (3,977)
free base

>  <URL> (3,977)
http://selleckchem.com/products/curculigoside.html

>  <CAS Number> (3,977)
85643-19-2

$$$$
S5458 Verbascoside.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,978)
3978

>  <Formula> (3,978)
C29H36O15

>  <MolWeight> (3,978)
624.58714

>  <Item Name> (3,978)
Verbascoside

>  <Catalog Number> (3,978)
S5458

>  <Synonyms> (3,978)
Acteoside, Kusaginin

>  <Target> (3,978)
Immunology & Inflammation related

>  <Form> (3,978)
free base

>  <URL> (3,978)
http://selleckchem.com/products/verbascoside.html

>  <CAS Number> (3,978)
61276-17-3

$$$$
S5459 Aucubin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,979)
3979

>  <Formula> (3,979)
C15H22O9

>  <MolWeight> (3,979)
346.32978

>  <Item Name> (3,979)
Aucubin

>  <Catalog Number> (3,979)
S5459

>  <Synonyms> (3,979)
Rhinanthin

>  <Target> (3,979)
Immunology & Inflammation related

>  <Form> (3,979)
free base

>  <URL> (3,979)
http://selleckchem.com/products/aucubin.html

>  <CAS Number> (3,979)
479-98-1

$$$$
S5460 Vitexin-2-O-rhaMnoside.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,980)
3980

>  <Formula> (3,980)
C27H30O14

>  <MolWeight> (3,980)
578.5187

>  <Item Name> (3,980)
Vitexin-2-O-rhaMnoside

>  <Catalog Number> (3,980)
S5460

>  <Synonyms> (3,980)
2''-O-Rhamnosylvitexin, Apigenin-8-C-glucoside

>  <Target> (3,980)
Others

>  <Form> (3,980)
free base

>  <URL> (3,980)
http://selleckchem.com/products/vitexin-2-o-rhamnoside.html

>  <CAS Number> (3,980)
64820-99-1

$$$$
S5461 Cimicifugoside.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,981)
3981

>  <Formula> (3,981)
C37H54O11

>  <MolWeight> (3,981)
674.81806

>  <Item Name> (3,981)
Cimicifugoside

>  <Catalog Number> (3,981)
S5461

>  <Synonyms> (3,981)
N/A

>  <Target> (3,981)
Others

>  <Form> (3,981)
free base

>  <URL> (3,981)
http://selleckchem.com/products/cimicifugoside.html

>  <CAS Number> (3,981)
66176-93-0

$$$$
S5462 5-O-Methylvisammioside.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,982)
3982

>  <Formula> (3,982)
C22H28O10

>  <MolWeight> (3,982)
452.45172

>  <Item Name> (3,982)
5-O-Methylvisammioside

>  <Catalog Number> (3,982)
S5462

>  <Synonyms> (3,982)
N/A

>  <Target> (3,982)
Others

>  <Form> (3,982)
free base

>  <URL> (3,982)
http://selleckchem.com/products/5-o-methylvisammioside.html

>  <CAS Number> (3,982)
84272-85-5

$$$$
S5463 Curcurbitacin IIA.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,983)
3983

>  <Formula> (3,983)
C32H50O8

>  <MolWeight> (3,983)
562.7346

>  <Item Name> (3,983)
Curcurbitacin IIA

>  <Catalog Number> (3,983)
S5463

>  <Synonyms> (3,983)
Hemslecin A, Dihydrocucurbitacin Q1

>  <Target> (3,983)
Immunology & Inflammation related

>  <Form> (3,983)
free base

>  <URL> (3,983)
http://selleckchem.com/products/curcurbitacin-iia.html

>  <CAS Number> (3,983)
58546-34-2

$$$$
S5464 Psoralidin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,984)
3984

>  <Formula> (3,984)
C20H16O5

>  <MolWeight> (3,984)
336.33804

>  <Item Name> (3,984)
Psoralidin

>  <Catalog Number> (3,984)
S5464

>  <Synonyms> (3,984)
N/A

>  <Target> (3,984)
Estrogen/progestogen Receptor

>  <Form> (3,984)
free base

>  <URL> (3,984)
http://selleckchem.com/products/psoralidin.html

>  <CAS Number> (3,984)
18642-23-4

$$$$
S5465 Morroniside.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,985)
3985

>  <Formula> (3,985)
C17H26O11

>  <MolWeight> (3,985)
406.38174

>  <Item Name> (3,985)
Morroniside

>  <Catalog Number> (3,985)
S5465

>  <Synonyms> (3,985)
N/A

>  <Target> (3,985)
Others

>  <Form> (3,985)
free base

>  <URL> (3,985)
http://selleckchem.com/products/morroniside.html

>  <CAS Number> (3,985)
25406-64-8

$$$$
S5467 Asarinin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,986)
3986

>  <Formula> (3,986)
C20H18O6

>  <MolWeight> (3,986)
354.35332

>  <Item Name> (3,986)
Asarinin

>  <Catalog Number> (3,986)
S5467

>  <Synonyms> (3,986)
Sesamin, Fagarol, Pseudocubebin, Episesamin, Eleutheroside B4

>  <Target> (3,986)
Others

>  <Form> (3,986)
free base

>  <URL> (3,986)
http://selleckchem.com/products/asarinin.html

>  <CAS Number> (3,986)
133-04-0

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,987)
3987

>  <Formula> (3,987)
C27H30O15

>  <MolWeight> (3,987)
594.5181

>  <Item Name> (3,987)
Kaempferol-3-O-glucorhamnoside

>  <Catalog Number> (3,987)
S5468

>  <Synonyms> (3,987)
Kaempferol 3-neohesperidoside

>  <Target> (3,987)
Others

>  <Form> (3,987)
salt

>  <URL> (3,987)
http://selleckchem.com/products/kaempferol-3-o-glucorhamnoside.html

>  <CAS Number> (3,987)
40437-72-7

$$$$
S5469 Bavachin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (3,988)
3988

>  <Formula> (3,988)
C20H20O4

>  <MolWeight> (3,988)
324.3704

>  <Item Name> (3,988)
Bavachin

>  <Catalog Number> (3,988)
S5469

>  <Synonyms> (3,988)
Corylifolin

>  <Target> (3,988)
Estrogen/progestogen Receptor

>  <Form> (3,988)
free base

>  <URL> (3,988)
http://selleckchem.com/products/bavachin.html

>  <CAS Number> (3,988)
19879-32-4

$$$$
S5471 Monotropein.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (3,989)
3989

>  <Formula> (3,989)
C16H22O11

>  <MolWeight> (3,989)
390.33928

>  <Item Name> (3,989)
Monotropein

>  <Catalog Number> (3,989)
S5471

>  <Synonyms> (3,989)
N/A

>  <Target> (3,989)
Immunology & Inflammation related

>  <Form> (3,989)
free base

>  <URL> (3,989)
http://selleckchem.com/products/monotropein.html

>  <CAS Number> (3,989)
5945-50-6

$$$$
S5472 Nafronyl oxalate salt.cdx
csChFnd80/10101813032D

 34 35  0  0  0  0  0  0  0  0999 V2000
    4.8154    2.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,990)
3990

>  <Formula> (3,990)
C26H35NO7

>  <MolWeight> (3,990)
473.5586

>  <Item Name> (3,990)
Nafronyl oxalate salt

>  <Catalog Number> (3,990)
S5472

>  <Synonyms> (3,990)
N/A

>  <Target> (3,990)
5-HT Receptor

>  <Form> (3,990)
oxalate 

>  <URL> (3,990)
http://selleckchem.com/products/nafronyl-oxalate-salt.html

>  <CAS Number> (3,990)
3200-06-4

$$$$
S5473 Pivmecillinam hydrochloride.cdx
csChFnd80/10101813032D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.1010    2.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1010    4.2831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,991)
3991

>  <Formula> (3,991)
C21H34ClN3O5S

>  <MolWeight> (3,991)
476.02976

>  <Item Name> (3,991)
Pivmecillinam hydrochloride

>  <Catalog Number> (3,991)
S5473

>  <Synonyms> (3,991)
N/A

>  <Target> (3,991)
Anti-infection

>  <Form> (3,991)
hydrochloride 

>  <URL> (3,991)
http://selleckchem.com/products/pivmecillinam-hydrochloride.html

>  <CAS Number> (3,991)
32887-03-9

$$$$
S5480 Clidinium Bromide.cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.8108    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1108    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (3,992)
3992

>  <Formula> (3,992)
C22H26BrNO3

>  <MolWeight> (3,992)
432.35074

>  <Item Name> (3,992)
Clidinium Bromide

>  <Catalog Number> (3,992)
S5480

>  <Synonyms> (3,992)
N/A

>  <Target> (3,992)
AChR

>  <Form> (3,992)
bromide 

>  <URL> (3,992)
http://selleckchem.com/products/clidinium-bromide.html

>  <CAS Number> (3,992)
3485-62-9

$$$$
S5485 Desipramine Hydrochloride.cdx
csChFnd80/10101813032D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,993)
3993

>  <Formula> (3,993)
C18H23ClN2

>  <MolWeight> (3,993)
302.84162

>  <Item Name> (3,993)
Desipramine Hydrochloride

>  <Catalog Number> (3,993)
S5485

>  <Synonyms> (3,993)
Desmethylimipramine, Norimipramine, EX-4355, G-35020, JB-8181, NSC-114901

>  <Target> (3,993)
5-HT Receptor

>  <Form> (3,993)
hydrochloride 

>  <URL> (3,993)
http://selleckchem.com/products/desipramine-hydrochloride.html

>  <CAS Number> (3,993)
 58-28-6

$$$$
S5486 Fluorometholone.cdx
csChFnd80/10101813032D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6512    3.5034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2951    5.6068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6512    6.3102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3836    7.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2951    2.8068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  8  2  1  0  0  0  0
  2 19  1  6  0  0  0
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  6  3  1  0  0  0  0
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  7  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  1  0  0  0  0
  7  5  1  0  0  0  0
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  5 11  1  0  0  0  0
  6 17  1  0  0  0  0
  6 22  1  6  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
  7 28  1  6  0  0  0
 10  8  1  0  0  0  0
  8 25  1  1  0  0  0
 16  9  2  0  0  0  0
 11 13  1  0  0  0  0
 18 12  1  0  0  0  0
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 20 17  2  0  0  0  0
 27 17  1  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,994)
3994

>  <Formula> (3,994)
C22H29FO4

>  <MolWeight> (3,994)
376.4616632

>  <Item Name> (3,994)
Fluorometholone

>  <Catalog Number> (3,994)
S5486

>  <Synonyms> (3,994)
Oxylone

>  <Target> (3,994)
Glucocorticoid Receptor

>  <Form> (3,994)
free base

>  <URL> (3,994)
http://selleckchem.com/products/fluorometholone.html

>  <CAS Number> (3,994)
426-13-1

$$$$
S5496 Guanethidine Monosulfate.cdx
csChFnd80/10101813032D

 19 18  0  0  0  0  0  0  0  0999 V2000
   13.1603    2.0488    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5603    2.0488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7603    2.0488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1603    3.4488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1603    0.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1801    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8728    1.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
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  6  8  1  0  0  0  0
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 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,995)
3995

>  <Formula> (3,995)
C10H24N4O4S

>  <MolWeight> (3,995)
296.38696

>  <Item Name> (3,995)
Guanethidine Monosulfate

>  <Catalog Number> (3,995)
S5496

>  <Synonyms> (3,995)
N/A

>  <Target> (3,995)
Others

>  <Form> (3,995)
sulfate 

>  <URL> (3,995)
http://selleckchem.com/products/guanethidine-monosulfate.html

>  <CAS Number> (3,995)
645-43-2

$$$$
S5506 Vortioxetine.cdx
csChFnd80/10101813032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,996)
3996

>  <Formula> (3,996)
C18H22N2S

>  <MolWeight> (3,996)
298.44568

>  <Item Name> (3,996)
Vortioxetine

>  <Catalog Number> (3,996)
S5506

>  <Synonyms> (3,996)
N/A

>  <Target> (3,996)
5-HT Receptor

>  <Form> (3,996)
free base

>  <URL> (3,996)
http://selleckchem.com/products/vortioxetine.html

>  <CAS Number> (3,996)
508233-74-7

$$$$
S5510 DMNB.cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,997)
3997

>  <Formula> (3,997)
C9H9NO5

>  <MolWeight> (3,997)
211.17146

>  <Item Name> (3,997)
DMNB

>  <Catalog Number> (3,997)
S5510

>  <Synonyms> (3,997)
DMDNB; 2,3-dimethyl-2,3-dinitrobutane

>  <Target> (3,997)
Others

>  <Form> (3,997)
free base

>  <URL> (3,997)
http://selleckchem.com/products/dmnb.html

>  <CAS Number> (3,997)
20357-25-9

$$$$
S5511 Ethyl (triphenylphosphoranylidene) acetate.cdx
csChFnd80/10101813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.9836    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5340    2.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7817    5.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4483    3.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0101    5.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501    1.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9255    2.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310    6.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3699    4.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5249    1.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1608    3.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3878    4.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5476    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5393    6.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651    1.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7224    2.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  2  0  0  0  0
 13 21  2  0  0  0  0
 14 21  1  0  0  0  0
 15 22  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,998)
3998

>  <Formula> (3,998)
C22H21O2P

>  <MolWeight> (3,998)
348.374701

>  <Item Name> (3,998)
Ethyl (triphenylphosphoranylidene) acetate

>  <Catalog Number> (3,998)
S5511

>  <Synonyms> (3,998)
(Carbethoxymethylene)triphenylphosphorane, Triphenylcarbethoxymethylenephosphorane, Ethyl 2-(tripheny

>  <Target> (3,998)
AChR

>  <Form> (3,998)
free base

>  <URL> (3,998)
http://selleckchem.com/products/ethyl-triphenylphosphoranylidene-acetate.html

>  <CAS Number> (3,998)
1099-45-2

$$$$
S5512 Juglone.cdx
csChFnd80/10101813032D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,999)
3999

>  <Formula> (3,999)
C10H6O3

>  <MolWeight> (3,999)
174.15284

>  <Item Name> (3,999)
Juglone

>  <Catalog Number> (3,999)
S5512

>  <Synonyms> (3,999)
Regianin; 5-Hydroxy-1,4-naphthoquinone

>  <Target> (3,999)
Others

>  <Form> (3,999)
free base

>  <URL> (3,999)
http://selleckchem.com/products/juglone.html

>  <CAS Number> (3,999)
481-39-0

$$$$
S5514 Lanthanum(III) chloride heptahydrate.cdx
csChFnd80/10101813032D

 11  3  0  0  0  0  0  0  0  0999 V2000
    9.0543    1.4000    0.0000 La  0  0  0  0  0  0  0  0  0  0  0  0
    7.8325    2.0905    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2412    2.0650    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0543    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   13.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   13.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   11.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   11.7258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8200   10.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
M  END
>  <Mol_ID> (4,000)
4000

>  <Formula> (4,000)
Cl3H14LaO7

>  <MolWeight> (4,000)
371.37146

>  <Item Name> (4,000)
Lanthanum(III) chloride heptahydrate

>  <Catalog Number> (4,000)
S5514

>  <Synonyms> (4,000)
N/A

>  <Target> (4,000)
Calcium Channel

>  <Form> (4,000)
salt

>  <URL> (4,000)
http://selleckchem.com/products/lanthanum-iii-chloride-heptahydrate.html

>  <CAS Number> (4,000)
10025-84-0

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/10101813032D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6391    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    4.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    3.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    5.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030    4.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    5.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    3.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4900    6.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7064    0.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,001)
4001

>  <Formula> (4,001)
C14H8O9

>  <MolWeight> (4,001)
320.20792

>  <Item Name> (4,001)
Ellagic Acid hydrate

>  <Catalog Number> (4,001)
S5516

>  <Synonyms> (4,001)
N/A

>  <Target> (4,001)
Casein Kinase

>  <Form> (4,001)
monohydrate 

>  <URL> (4,001)
http://selleckchem.com/products/ellagic-acid-hydrate.html

>  <CAS Number> (4,001)
 314041-08-2

$$$$
S5517 N-Phenylanthranilic acid.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,002)
4002

>  <Formula> (4,002)
C13H11NO2

>  <MolWeight> (4,002)
213.23194

>  <Item Name> (4,002)
Fenamic acid

>  <Catalog Number> (4,002)
S5517

>  <Synonyms> (4,002)
N-Phenylanthranilic acid, 2-(Phenylamino)benzoic acid, 2-Anilinobenzoic acid, Diphenylamine-2-carboxy

>  <Target> (4,002)
Immunology & Inflammation related

>  <Form> (4,002)
free base

>  <URL> (4,002)
http://selleckchem.com/products/fenamic-acid.html

>  <CAS Number> (4,002)
91-40-7

$$$$
S5518 D-Glucose 6-phosphate disodium salt.cdx
csChFnd80/10101813032D

 18 15  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.3995    0.8876    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.2032    2.8015    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.7657    0.8327    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  6  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,003)
4003

>  <Formula> (4,003)
C6H11Na2O9P

>  <MolWeight> (4,003)
304.099441

>  <Item Name> (4,003)
D-Glucose 6-phosphate disodium salt

>  <Catalog Number> (4,003)
S5518

>  <Synonyms> (4,003)
N/A

>  <Target> (4,003)
Others

>  <Form> (4,003)
disodium salt

>  <URL> (4,003)
http://selleckchem.com/products/d-glucose-6-phosphate-disodium-salt.html

>  <CAS Number> (4,003)
3671-99-6

$$$$
S5519 4-Methylsalicylic acid.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2260    4.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    3.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0037    3.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    5.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4129    2.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384    4.1895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4411    6.2993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0161    6.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,004)
4004

>  <Formula> (4,004)
C8H8O3

>  <MolWeight> (4,004)
152.14732

>  <Item Name> (4,004)
4-Methylsalicylic acid

>  <Catalog Number> (4,004)
S5519

>  <Synonyms> (4,004)
m-Cresotic acid,  2-Hydroxy-4-methylbenzoic acid, m-Cresotinic acid, 2-Hydroxy-p-toluic acid

>  <Target> (4,004)
Others

>  <Form> (4,004)
free base

>  <URL> (4,004)
http://selleckchem.com/products/4-methylsalicylic-acid.html

>  <CAS Number> (4,004)
50-85-1

$$$$
S5521 Eosin Y Disodium Trihydrate.cdx
csChFnd80/10101813032D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.0714    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8590    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2839    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9388    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2040    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8590    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2839    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4963    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3714    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5694    2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7714    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714    6.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465    6.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4341    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4963    6.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7087    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4346    0.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    1.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4341    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465    7.4870    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2217    3.2870    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.7087    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4963    7.4870    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.9212    3.2870    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0652    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2217    6.0870    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.9212    6.0870    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0716    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   13.2125    6.1066    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  8 13  1  0  0  0  0
  9 17  2  0  0  0  0
 10 18  1  0  0  0  0
 10 12  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 14 21  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 21  1  0  0  0  0
 16 24  2  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 24  1  0  0  0  0
 18 27  2  0  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (4,005)
4005

>  <Formula> (4,005)
C20H6Br4Na2O5

>  <MolWeight> (4,005)
691.85418

>  <Item Name> (4,005)
Eosin Y Disodium

>  <Catalog Number> (4,005)
S5521

>  <Synonyms> (4,005)
N/A

>  <Target> (4,005)
Others

>  <Form> (4,005)
disodium salt

>  <URL> (4,005)
http://selleckchem.com/products/eosin-y-disodium.html

>  <CAS Number> (4,005)
17372-87-1

$$$$
S5522 S-Trityl-L-cysteine.cdx
csChFnd80/10101813032D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.3997    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2998    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7997    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0999    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4123    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
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 23 24  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 11 26  2  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,006)
4006

>  <Formula> (4,006)
C22H21NO2S

>  <MolWeight> (4,006)
363.47264

>  <Item Name> (4,006)
H-Cys(Trt)-OH

>  <Catalog Number> (4,006)
S5522

>  <Synonyms> (4,006)
L-Cys(Trt)-OH, H-L-Cys(Trt)-OH, S-Tritylcysteine

>  <Target> (4,006)
Kinesin

>  <Form> (4,006)
free base

>  <URL> (4,006)
http://selleckchem.com/products/h-cys-trt-oh.html

>  <CAS Number> (4,006)
2799-07-7

$$$$
S5524 Spermine, Tetrahydrochloride.cdx
csChFnd80/10101813032D

 18 13  0  0  0  0  0  0  0  0999 V2000
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    8.4816    0.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0829    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6904    0.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8994    0.0893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6460    0.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1083    0.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3237    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5262    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7543    0.1274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6695   13.8728    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   13.8728    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9695   12.4728    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5695   12.4728    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,007)
4007

>  <Formula> (4,007)
C10H30Cl4N4

>  <MolWeight> (4,007)
348.184

>  <Item Name> (4,007)
Spermine Tetrahydrochloride

>  <Catalog Number> (4,007)
S5524

>  <Synonyms> (4,007)
Gerontine tetrahydrochloride, Neuridine tetrahydrochloride, Musculamine tetrahydrochloride

>  <Target> (4,007)
Others

>  <Form> (4,007)
tetrahydrochloride 

>  <URL> (4,007)
http://selleckchem.com/products/spermine-tetrahydrochloride.html

>  <CAS Number> (4,007)
306-67-2

$$$$
S5525 SodiuM Metatungstate.cdx
csChFnd80/10101813032D

 58 39  0  0  0  0  0  0  0  0999 V2000
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   18.8075    1.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 48 50  2  0  0  0  0
 48 51  2  0  0  0  0
M  END
>  <Mol_ID> (4,008)
4008

>  <Formula> (4,008)
H2Na6O40W12

>  <MolWeight> (4,008)
2986.0105

>  <Item Name> (4,008)
SodiuM Metatungstate

>  <Catalog Number> (4,008)
S5525

>  <Synonyms> (4,008)
Sodium Polytungstate

>  <Target> (4,008)
Others

>  <Form> (4,008)
salt

>  <URL> (4,008)
http://selleckchem.com/products/sodium-metatungstate.html

>  <CAS Number> (4,008)
12141-67-2

$$$$
S5527 Salmeterol.cdx
csChFnd80/10101813032D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.8581    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8581    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2830    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,009)
4009

>  <Formula> (4,009)
C25H37NO4

>  <MolWeight> (4,009)
415.56558

>  <Item Name> (4,009)
Salmeterol

>  <Catalog Number> (4,009)
S5527

>  <Synonyms> (4,009)
Astmerole, GR-33343X, SN408D

>  <Target> (4,009)
Adrenergic Receptor

>  <Form> (4,009)
free base

>  <URL> (4,009)
http://selleckchem.com/products/salmeterol.html

>  <CAS Number> (4,009)
89365-50-4

$$$$
S5528 Acetophenone.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4174    2.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4148    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    2.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    2.7691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8462    2.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    4.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (4,010)
4010

>  <Formula> (4,010)
C8H8O

>  <MolWeight> (4,010)
120.14852

>  <Item Name> (4,010)
Acetophenone

>  <Catalog Number> (4,010)
S5528

>  <Synonyms> (4,010)
Methyl phenyl ketone, Phenylethanone

>  <Target> (4,010)
Others

>  <Form> (4,010)
free base

>  <URL> (4,010)
http://selleckchem.com/products/acetophenone.html

>  <CAS Number> (4,010)
98-86-2

$$$$
S5529 Galangin.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6432    4.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    2.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    4.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    2.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    2.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    6.2592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    6.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533    2.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2590    4.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2658    2.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832    0.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718    2.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6858    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7180    0.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,011)
4011

>  <Formula> (4,011)
C15H10O5

>  <MolWeight> (4,011)
270.2369

>  <Item Name> (4,011)
Galangin

>  <Catalog Number> (4,011)
S5529

>  <Synonyms> (4,011)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (4,011)
P450 (e.g. CYP17)

>  <Form> (4,011)
free base

>  <URL> (4,011)
http://selleckchem.com/products/galangin.html

>  <CAS Number> (4,011)
548-83-4

$$$$
S5530 Geraniol.cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,012)
4012

>  <Formula> (4,012)
C10H18O

>  <MolWeight> (4,012)
154.24932

>  <Item Name> (4,012)
Geraniol

>  <Catalog Number> (4,012)
S5530

>  <Synonyms> (4,012)
N/A

>  <Target> (4,012)
Others

>  <Form> (4,012)
free base

>  <URL> (4,012)
http://selleckchem.com/products/geraniol.html

>  <CAS Number> (4,012)
106-24-1

$$$$
S5534 Cinchocaine.cdx
csChFnd80/10101813032D

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.4247    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    2.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    2.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6322    4.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    2.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2011    4.2121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2223    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0764    2.8244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    0.7264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    6.3222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    2.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    7.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5002    2.8256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    8.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    2.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351    9.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9245    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    0.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351   10.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1367    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9244    0.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (4,013)
4013

>  <Formula> (4,013)
C20H29N3O2

>  <MolWeight> (4,013)
343.46316

>  <Item Name> (4,013)
Cinchocaine

>  <Catalog Number> (4,013)
S5534

>  <Synonyms> (4,013)
Dibucaine

>  <Target> (4,013)
Others

>  <Form> (4,013)
free base

>  <URL> (4,013)
http://selleckchem.com/products/cinchocaine.html

>  <CAS Number> (4,013)
85-79-0

$$$$
S5538 Tropisetron.cdx
csChFnd80/10101813032D

 21 24  0  0  0  0  0  0  0  0999 V2000
    4.5989    1.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7989    2.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0072    1.8712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2996    2.8280    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6270    4.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8940    4.7834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4914    3.1134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4185    3.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5570    1.7202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1638    1.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4466    2.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1527    4.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7989    4.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5989    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4994    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3416    0.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3416    1.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161    2.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  6  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  1  0  0  0
  8  7  1  0  0  0  0
  9  7  1  1  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  2  0  0  0  0
 14  1  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17  1  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,014)
4014

>  <Formula> (4,014)
C17H20N2O2

>  <MolWeight> (4,014)
284.3529

>  <Item Name> (4,014)
Tropisetron

>  <Catalog Number> (4,014)
S5538

>  <Synonyms> (4,014)
ICS 205-930

>  <Target> (4,014)
5-HT Receptor,AChR

>  <Form> (4,014)
free base

>  <URL> (4,014)
http://selleckchem.com/products/tropisetron.html

>  <CAS Number> (4,014)
89565-68-4

$$$$
S5541 Dimetridazole.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4276    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6884    1.5129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5716    3.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    1.3968    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6471    2.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9568    0.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9536    3.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0984    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0372    2.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (4,015)
4015

>  <Formula> (4,015)
C5H7N3O2

>  <MolWeight> (4,015)
141.12798

>  <Item Name> (4,015)
Dimetridazole

>  <Catalog Number> (4,015)
S5541

>  <Synonyms> (4,015)
N/A

>  <Target> (4,015)
Anti-infection

>  <Form> (4,015)
free base

>  <URL> (4,015)
http://selleckchem.com/products/dimetridazole.html

>  <CAS Number> (4,015)
551-92-8

$$$$
S5543 1, 10-Phenanthroline monohydrate.cdx
csChFnd80/10101813032D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.7963    2.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1922    2.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0958    3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    1.4091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8918    3.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8928    1.4075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7970    5.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6975    3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6927    1.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1952    5.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2958    3.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2909    1.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9984    2.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2224    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,016)
4016

>  <Formula> (4,016)
C12H10N2O

>  <MolWeight> (4,016)
198.2206

>  <Item Name> (4,016)
1, 10-Phenanthroline monohydrate

>  <Catalog Number> (4,016)
S5543

>  <Synonyms> (4,016)
Phenanthroline monohydrate

>  <Target> (4,016)
Others

>  <Form> (4,016)
hydrate 

>  <URL> (4,016)
http://selleckchem.com/products/1-10-phenanthroline-monohydrate.html

>  <CAS Number> (4,016)
5144-89-8

$$$$
S5544 D-Ribose.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,017)
4017

>  <Formula> (4,017)
C5H10O5

>  <MolWeight> (4,017)
150.1299

>  <Item Name> (4,017)
D-Ribose

>  <Catalog Number> (4,017)
S5544

>  <Synonyms> (4,017)
N/A

>  <Target> (4,017)
Others

>  <Form> (4,017)
free base

>  <URL> (4,017)
http://selleckchem.com/products/d-ribose.html

>  <CAS Number> (4,017)
 50-69-1

$$$$
S5545 DL-Serine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,018)
4018

>  <Formula> (4,018)
C3H7NO3

>  <MolWeight> (4,018)
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>  <Item Name> (4,018)
DL-Serine

>  <Catalog Number> (4,018)
S5545

>  <Synonyms> (4,018)
N/A

>  <Target> (4,018)
PKM

>  <URL> (4,018)
http://selleckchem.com/products/dl-serine.html

>  <CAS Number> (4,018)
302-84-1

$$$$
S5547 Hydroxylammonium chloride.cdx
csChFnd80/10101813032D

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    0.0000    0.0116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,019)
4019

>  <Formula> (4,019)
ClH4NO

>  <MolWeight> (4,019)
69.49086

>  <Item Name> (4,019)
Hydroxylammonium chloride

>  <Catalog Number> (4,019)
S5547

>  <Synonyms> (4,019)
Hydroxylamine hydrochloride

>  <Target> (4,019)
Others

>  <URL> (4,019)
http://selleckchem.com/products/hydroxylammonium-chloride.html

>  <CAS Number> (4,019)
5470-11-1

$$$$
S5549 DL-Arginine.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (4,020)
4020

>  <Formula> (4,020)
C6H14N4O2

>  <MolWeight> (4,020)
174.20096

>  <Item Name> (4,020)
DL-Arginine

>  <Catalog Number> (4,020)
S5549

>  <Synonyms> (4,020)
N/A

>  <Target> (4,020)
Others

>  <Form> (4,020)
free base

>  <URL> (4,020)
http://selleckchem.com/products/dl-arginine.html

>  <CAS Number> (4,020)
7200-25-1

$$$$
S5551 6-Paradol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,021)
4021

>  <Formula> (4,021)
C17H26O3

>  <MolWeight> (4,021)
278.38654

>  <Item Name> (4,021)
6-Paradol

>  <Catalog Number> (4,021)
S5551

>  <Synonyms> (4,021)
N/A

>  <Target> (4,021)
Others

>  <Form> (4,021)
free base

>  <URL> (4,021)
http://selleckchem.com/products/6-paradol.html

>  <CAS Number> (4,021)
27113-22-0

$$$$
S5552 Amenamevir.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,022)
4022

>  <Formula> (4,022)
C24H26N4O5S

>  <MolWeight> (4,022)
482.55204

>  <Item Name> (4,022)
Amenamevir

>  <Catalog Number> (4,022)
S5552

>  <Synonyms> (4,022)
ASP2151

>  <Form> (4,022)
free base

>  <URL> (4,022)
http://selleckchem.com/products/amenamevir.html

>  <CAS Number> (4,022)
841301-32-4

$$$$
S5553 Kasugamycin hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,023)
4023

>  <Formula> (4,023)
C14H26ClN3O9

>  <MolWeight> (4,023)
415.82394

>  <Item Name> (4,023)
Kasugamycin hydrochloride

>  <Catalog Number> (4,023)
S5553

>  <Synonyms> (4,023)
N/A

>  <Target> (4,023)
Anti-infection

>  <Form> (4,023)
hydrochloride 

>  <URL> (4,023)
http://selleckchem.com/products/kasugamycin-hydrochloride.html

>  <CAS Number> (4,023)
19408-46-9

$$$$
S5554 Lanatoside C.cdx
csChFnd80/10101813032D

 72 80  0  0  0  0  0  0  0  0999 V2000
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4024

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C49H76O20

>  <MolWeight> (4,024)
985.11574

>  <Item Name> (4,024)
Lanatoside C

>  <Catalog Number> (4,024)
S5554

>  <Synonyms> (4,024)
N/A

>  <Target> (4,024)
ATPase

>  <Form> (4,024)
free base

>  <URL> (4,024)
http://selleckchem.com/products/lanatoside-c.html

>  <CAS Number> (4,024)
17575-22-3

$$$$
S5555 Pamabrom.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,025)
4025

>  <Formula> (4,025)
C11H18BrN5O3

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Pamabrom

>  <Catalog Number> (4,025)
S5555

>  <Synonyms> (4,025)
N/A

>  <Target> (4,025)
Others

>  <Form> (4,025)
salt

>  <URL> (4,025)
http://selleckchem.com/products/pamabrom.html

>  <CAS Number> (4,025)
606-04-2

$$$$
S5556 (-)-Sparteini Sulfas.cdx
csChFnd80/10101813032D

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4026

>  <Formula> (4,026)
C15H38N2O9S

>  <MolWeight> (4,026)
422.53522

>  <Item Name> (4,026)
(-)-Sparteine Sulfate

>  <Catalog Number> (4,026)
S5556

>  <Synonyms> (4,026)
N/A

>  <Target> (4,026)
Sodium Channel

>  <Form> (4,026)
sulfate pentahydrate

>  <URL> (4,026)
http://selleckchem.com/products/sparteini-sulfas.html

>  <CAS Number> (4,026)
6160-12-9

$$$$
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csChFnd80/10101813032D

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    2.4249    7.0068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,027)
4027

>  <Formula> (4,027)
C7H5ClN2O3

>  <MolWeight> (4,027)
200.5792

>  <Item Name> (4,027)
Aklomide

>  <Catalog Number> (4,027)
S5557

>  <Synonyms> (4,027)
2-Chloro-4-nitrobenzamide

>  <Target> (4,027)
Anti-infection

>  <Form> (4,027)
free base

>  <URL> (4,027)
http://selleckchem.com/products/aklomide.html

>  <CAS Number> (4,027)
3011-89-0

$$$$
S5558 D-Pantothenate Sodium.cdx
csChFnd80/10101813032D

 16 14  0  0  0  0  0  0  0  0999 V2000
    9.6333    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8458    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6333    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5458    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0582    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1458    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2084    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4209    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9458    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9960    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7836    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5711    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5711    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3587    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0335    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,028)
4028

>  <Formula> (4,028)
C9H16NNaO5

>  <MolWeight> (4,028)
241.21681

>  <Item Name> (4,028)
D-Pantothenate Sodium

>  <Catalog Number> (4,028)
S5558

>  <Synonyms> (4,028)
N/A

>  <Target> (4,028)
Vitamin

>  <Form> (4,028)
sodium salt

>  <URL> (4,028)
http://selleckchem.com/products/d-pantothenate-sodium.html

>  <CAS Number> (4,028)
867-81-2

$$$$
S5562 2-Hydroxybenzyl alcohol.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6364    2.8051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    2.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301    0.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2106    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    0.0053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8503    2.1043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  1  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,029)
4029

>  <Formula> (4,029)
C7H8O2

>  <MolWeight> (4,029)
124.13722

>  <Item Name> (4,029)
2-Hydroxybenzyl alcohol

>  <Catalog Number> (4,029)
S5562

>  <Synonyms> (4,029)
2-Hydroxybenzyl alcohol, Salicain, Diathesin, Saligenin, Saligenol, o-Methylolphenol; ¦Á,2-Toluenedio

>  <Target> (4,029)
Others

>  <Form> (4,029)
free base

>  <URL> (4,029)
http://selleckchem.com/products/2-hydroxybenzyl-alcohol.html

>  <CAS Number> (4,029)
90-01-7

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
csChFnd80/10101813032D

 34 34  0  0  0  0  0  0  0  0999 V2000
    2.4269    4.8810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4293    3.4859    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6281    2.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8468    3.4845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8468    4.8867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6302    5.5863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281    1.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    5.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    2.7859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0593    2.7845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2677    4.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4788    5.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4791    6.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2592    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0524    6.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6913    4.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6915    7.6873    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9034    5.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1150    4.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3274    5.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3274    6.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1153    7.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9036    6.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5398    7.6816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7522    6.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9647    7.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9078    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5451    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7532    1.8110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  2  0  0  0  0
  4 10  1  6  0  0  0
 22 23  1  0  0  0  0
  1  6  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
  5 11  1  1  0  0  0
 22 25  1  0  0  0  0
  2  3  1  0  0  0  0
 25 26  1  0  0  0  0
 11 12  2  0  0  0  0
 26 27  1  0  0  0  0
  3  4  1  0  0  0  0
 12 13  1  0  0  0  0
  4  5  1  0  0  0  0
 13 14  2  0  0  0  0
  5  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  3  7  1  1  0  0  0
 13 17  1  0  0  0  0
  1  2  1  0  0  0  0
 14 18  1  0  0  0  0
  1  8  1  1  0  0  0
  8 28  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
  2  9  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  6  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,030)
4030

>  <Formula> (4,030)
C24H35ClO9

>  <MolWeight> (4,030)
502.9823

>  <Item Name> (4,030)
Dapagliflozin propanediol monohydrate

>  <Catalog Number> (4,030)
S5566

>  <Synonyms> (4,030)
N/A

>  <Target> (4,030)
SGLT

>  <Form> (4,030)
monohydrate

>  <URL> (4,030)
http://selleckchem.com/products/dapagliflozin-propanediol-monohydrate.html

>  <CAS Number> (4,030)
960404-48-2

$$$$
S5567 Trimethadione.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1742    2.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819    3.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1110    3.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7442    0.3264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6  8  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (4,031)
4031

>  <Formula> (4,031)
C6H9NO3

>  <MolWeight> (4,031)
143.14056

>  <Item Name> (4,031)
Trimethadione

>  <Catalog Number> (4,031)
S5567

>  <Synonyms> (4,031)
N/A

>  <Target> (4,031)
Others

>  <URL> (4,031)
http://selleckchem.com/products/trimethadione.html

>  <CAS Number> (4,031)
127-48-0

$$$$
S5569 Anisole.cdx
csChFnd80/10101813032D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.2198    2.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4298    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0023    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198    4.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    0.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4330    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
M  END
>  <Mol_ID> (4,032)
4032

>  <Formula> (4,032)
C7H8O

>  <MolWeight> (4,032)
108.13782

>  <Item Name> (4,032)
Anisole

>  <Catalog Number> (4,032)
S5569

>  <Synonyms> (4,032)
methoxybenzene, Phenoxymethane

>  <Target> (4,032)
Others

>  <Form> (4,032)
free base

>  <URL> (4,032)
http://selleckchem.com/products/anisole.html

>  <CAS Number> (4,032)
100-66-3

$$$$
S5570 Arachidic acid.cdx
csChFnd80/10101813032D

 22 21  0  0  0  0  0  0  0  0999 V2000
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,033)
4033

>  <Formula> (4,033)
C20H40O2

>  <MolWeight> (4,033)
312.5304

>  <Item Name> (4,033)
Arachidic acid

>  <Catalog Number> (4,033)
S5570

>  <Synonyms> (4,033)
eicosanoic acid, Icosanoic Acid

>  <Target> (4,033)
Others

>  <Form> (4,033)
free base

>  <URL> (4,033)
http://selleckchem.com/products/arachidic-acid.html

>  <CAS Number> (4,033)
506-30-9

$$$$
S5571 L-Asparagine.cdx
csChFnd80/10101813032D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,034)
4034

>  <Formula> (4,034)
C4H8N2O3

>  <MolWeight> (4,034)
132.11792

>  <Item Name> (4,034)
L-Asparagine

>  <Catalog Number> (4,034)
S5571

>  <Synonyms> (4,034)
2-Aminosuccinamic acid, alpha-aminosuccinamic acid

>  <Target> (4,034)
Others

>  <Form> (4,034)
free base

>  <URL> (4,034)
http://selleckchem.com/products/l-asparagine.html

>  <CAS Number> (4,034)
70-47-3

$$$$
S5572 Azetidine-2-carboxylic acid.cdx
csChFnd80/10101813032D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.9900    2.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9799    1.2124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9900    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3799    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0799    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0799    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  4  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (4,035)
4035

>  <Formula> (4,035)
C4H7NO2

>  <MolWeight> (4,035)
101.10388

>  <Item Name> (4,035)
Azetidine-2-carboxylic acid

>  <Catalog Number> (4,035)
S5572

>  <Synonyms> (4,035)
N/A

>  <Target> (4,035)
Others

>  <Form> (4,035)
free base

>  <URL> (4,035)
http://selleckchem.com/products/azetidine-2-carboxylic-acid.html

>  <CAS Number> (4,035)
2517-04-6

$$$$
S5573 Tilmicosin phosphate.cdx
csChFnd80/10101813032D

 67 69  0  0  0  0  0  0  0  0999 V2000
    8.2441    5.0089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106    4.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106    5.5652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3423    6.6439    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1201    3.1896    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5506    3.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7729    6.6440    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4450   10.0273    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4450    8.6394    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6793    7.9429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9087    8.6394    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9087   10.0273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6793   10.7187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6650   12.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202    7.9526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1250    7.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8761    5.8911    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5399    4.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7633    3.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2243    5.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9953    4.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2047    3.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6585    4.2514    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6700    5.6290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.4553    6.3261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9459    5.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2127    7.0488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8928    6.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8824    6.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6475    5.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6376    4.1739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3886    2.1143    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6111    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8579    2.0949    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8723    3.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0778    1.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    1.4424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    2.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9525    2.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6556    3.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8758    4.1591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0958    3.4775    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.0873    2.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3075    1.3990    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.5414    2.0793    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.5450    3.4665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.3193    4.1632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3060    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3108    5.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7610    4.1591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7610    1.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5310    6.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2202    6.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1227    5.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9909    3.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9009    9.7705    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.8959   11.1682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2989    9.7705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8959    8.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5030    9.7755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4 19  1  6  0  0  0
  2  5  1  0  0  0  0
 36 41  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
  7 20  1  1  0  0  0
 40 42  1  6  0  0  0
  5  6  1  0  0  0  0
 38 43  1  6  0  0  0
  6 22  1  0  0  0  0
  5 44  1  6  0  0  0
  8 13  1  0  0  0  0
  6 45  2  0  0  0  0
  9 10  1  0  0  0  0
 28 46  1  1  0  0  0
 21 24  1  0  0  0  0
 46 47  1  0  0  0  0
 22 23  2  0  0  0  0
 48 47  1  1  0  0  0
 48 49  1  0  0  0  0
 23 26  1  0  0  0  0
 25 24  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 48 53  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 21  7  1  0  0  0  0
 50 54  1  1  0  0  0
 13 14  1  1  0  0  0
 53 55  1  6  0  0  0
  7  4  1  0  0  0  0
 52 56  1  6  0  0  0
 25 30  1  0  0  0  0
 51 57  1  6  0  0  0
 26 27  2  0  0  0  0
 55 58  1  0  0  0  0
 27 28  1  0  0  0  0
 15 59  1  0  0  0  0
 28 29  1  0  0  0  0
 15 60  1  0  0  0  0
 29 30  1  0  0  0  0
 33 61  1  0  0  0  0
  9 15  1  1  0  0  0
 56 62  1  0  0  0  0
 26 31  1  0  0  0  0
 21  1  1  1  0  0  0
  8  9  1  0  0  0  0
 25 32  2  0  0  0  0
  8 16  1  6  0  0  0
 29 33  1  6  0  0  0
  3 34  1  6  0  0  0
 10 17  1  6  0  0  0
 34 35  1  0  0  0  0
  2  3  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 11 18  1  6  0  0  0
  3  4  1  0  0  0  0
 11 19  1  0  0  0  0
 63 64  1  0  0  0  0
 63 65  1  0  0  0  0
 63 66  2  0  0  0  0
 63 67  1  0  0  0  0
M  END
>  <Mol_ID> (4,036)
4036

>  <Formula> (4,036)
C46H83N2O17P

>  <MolWeight> (4,036)
967.128181

>  <Item Name> (4,036)
Tilmicosin phosphate

>  <Catalog Number> (4,036)
S5573

>  <Synonyms> (4,036)
N/A

>  <Target> (4,036)
Anti-infection

>  <Form> (4,036)
phosphate 

>  <URL> (4,036)
http://selleckchem.com/products/tilmicosin-phosphate.html

>  <CAS Number> (4,036)
137330-13-3

$$$$
S5574 Benzaldehyde.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,037)
4037

>  <Formula> (4,037)
C7H6O

>  <MolWeight> (4,037)
106.12194

>  <Item Name> (4,037)
Benzoic aldehyde

>  <Catalog Number> (4,037)
S5574

>  <Synonyms> (4,037)
Benzenecarboxaldehyde, Phenylmethanal, Benzoic aldehyde 

>  <Target> (4,037)
Others

>  <Form> (4,037)
free base

>  <URL> (4,037)
http://selleckchem.com/products/benzaldehyde.html

>  <CAS Number> (4,037)
100-52-7

$$$$
S5575 2-Benzoxazolinone.cdx
csChFnd80/10101813032D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.4349    2.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4349    0.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7465    2.5256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    2.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7465    0.2656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5738    1.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9831    1.3922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,038)
4038

>  <Formula> (4,038)
C7H5NO2

>  <MolWeight> (4,038)
135.1201

>  <Item Name> (4,038)
2-Benzoxazolinone

>  <Catalog Number> (4,038)
S5575

>  <Synonyms> (4,038)
2-Hydroxybenzoxazole

>  <Target> (4,038)
Others

>  <Form> (4,038)
free base

>  <URL> (4,038)
http://selleckchem.com/products/2-benzoxazolinone.html

>  <CAS Number> (4,038)
59-49-4

$$$$
S5576 Benzyl acetate.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4353    2.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477    2.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2224    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8633    2.0859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0067    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2091    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0741    2.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2874    2.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0741    4.1840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,039)
4039

>  <Formula> (4,039)
C9H10O2

>  <MolWeight> (4,039)
150.1745

>  <Item Name> (4,039)
Benzyl acetate

>  <Catalog Number> (4,039)
S5576

>  <Synonyms> (4,039)
Acetic acid benzyl ester, Benzyl ethanoate, Phenylmethyl acetate

>  <Target> (4,039)
Others

>  <Form> (4,039)
free base

>  <URL> (4,039)
http://selleckchem.com/products/benzyl-acetate.html

>  <CAS Number> (4,039)
140-11-4

$$$$
S5578 Cadaverine.cdx
csChFnd80/10101813032D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.6486    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    0.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8616    0.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0777    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3108    0.6872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,040)
4040

>  <Formula> (4,040)
C5H14N2

>  <MolWeight> (4,040)
102.17806

>  <Item Name> (4,040)
Cadaverine

>  <Catalog Number> (4,040)
S5578

>  <Synonyms> (4,040)
Pentane-1,5-diamine; 1,5-Diaminopentane; Pentamethylenediamine

>  <Target> (4,040)
Others

>  <Form> (4,040)
free base

>  <URL> (4,040)
http://selleckchem.com/products/cadaverine.html

>  <CAS Number> (4,040)
462-94-2

$$$$
S5579 Chelidonic acid.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,041)
4041

>  <Formula> (4,041)
C7H4O6

>  <MolWeight> (4,041)
184.10306

>  <Item Name> (4,041)
Chelidonic acid

>  <Catalog Number> (4,041)
S5579

>  <Synonyms> (4,041)
Jerva acid, Jervaic acid, ¦Ã-Pyrone-2,6-dicarboxylic acid

>  <Target> (4,041)
Immunology & Inflammation related

>  <Form> (4,041)
free base

>  <URL> (4,041)
http://selleckchem.com/products/chelidonic-acid.html

>  <CAS Number> (4,041)
99-32-1

$$$$
>  <Mol_ID> (4,042)
4042

>  <Item Name> (4,042)
Arabic gum

>  <Catalog Number> (4,042)
S5580

>  <Synonyms> (4,042)
N/A

>  <Target> (4,042)
Others

>  <URL> (4,042)
http://selleckchem.com/products/arabic-gum.html

>  <CAS Number> (4,042)
9000-01-5

$$$$
S5582 Cytarabine hydrochloride.cdx
csChFnd80/10101813032D

 18 18  0  0  0  0  0  0  0  0999 V2000
    5.6898    3.6556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6898    5.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4815    5.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9023    5.7558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1151    5.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3232    5.7531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1151    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9024    2.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4815    2.9580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3350    1.5656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3718    0.6320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9656    1.2746    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3979    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2656    2.4872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2025    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781    2.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524    1.2572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  1  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 16 17  1  0  0  0  0
  9 15  1  0  0  0  0
  9  1  1  1  0  0  0
M  END
>  <Mol_ID> (4,043)
4043

>  <Formula> (4,043)
C9H14ClN3O5

>  <MolWeight> (4,043)
279.67756

>  <Item Name> (4,043)
Cytarabine hydrochloride

>  <Catalog Number> (4,043)
S5582

>  <Synonyms> (4,043)
N/A

>  <Target> (4,043)
DNA/RNA Synthesis

>  <Form> (4,043)
hydrochloride 

>  <URL> (4,043)
http://selleckchem.com/products/cytarabine-hydrochloride.html

>  <CAS Number> (4,043)
69-74-9

$$$$
S5583 Cinnamyl acetate.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    7.2713    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0599    2.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    2.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2847    0.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444    2.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7074    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5046    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    2.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7160    0.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4226    2.0856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    4.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,044)
4044

>  <Formula> (4,044)
C11H12O2

>  <MolWeight> (4,044)
176.21178

>  <Item Name> (4,044)
Cinnamyl acetate

>  <Catalog Number> (4,044)
S5583

>  <Synonyms> (4,044)
3-Phenylallyl acetate

>  <Target> (4,044)
Others

>  <Form> (4,044)
free base

>  <URL> (4,044)
http://selleckchem.com/products/cinnamyl-acetate.html

>  <CAS Number> (4,044)
103-54-8

$$$$
S5584 Citronellol.cdx
csChFnd80/10101813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,045)
4045

>  <Formula> (4,045)
C10H20O

>  <MolWeight> (4,045)
156.2652

>  <Item Name> (4,045)
Citronellol

>  <Catalog Number> (4,045)
S5584

>  <Synonyms> (4,045)
dihydrogeraniol, (¡À)-¦Â-Citronellol

>  <Target> (4,045)
Others

>  <Form> (4,045)
free base

>  <URL> (4,045)
http://selleckchem.com/products/citronellol.html

>  <CAS Number> (4,045)
106-22-9

$$$$
S5585 Citronellal.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,046)
4046

>  <Formula> (4,046)
C10H18O

>  <MolWeight> (4,046)
154.24932

>  <Item Name> (4,046)
Citronellal

>  <Catalog Number> (4,046)
S5585

>  <Synonyms> (4,046)
rhodinal; 2,3-Dihydrocitral

>  <Target> (4,046)
Others

>  <Form> (4,046)
free base

>  <URL> (4,046)
http://selleckchem.com/products/citronellal.html

>  <CAS Number> (4,046)
106-23-0

$$$$
S5586 3-Hydroxycinnamic acid.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4074    3.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135    2.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142    4.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6198    4.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    2.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0268    4.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2113    3.5022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0268    5.6181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,047)
4047

>  <Formula> (4,047)
C9H8O3

>  <MolWeight> (4,047)
164.15802

>  <Item Name> (4,047)
3-Hydroxycinnamic acid

>  <Catalog Number> (4,047)
S5586

>  <Synonyms> (4,047)
meta-Coumaric acid, m-Coumaric acid, m-Coumarate

>  <Target> (4,047)
Others

>  <Form> (4,047)
free base

>  <URL> (4,047)
http://selleckchem.com/products/3-hydroxycinnamic-acid.html

>  <CAS Number> (4,047)
14755-02-3

$$$$
S5587 2,3-Benzofuran.cdx
csChFnd80/10101813032D

  9 10  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,048)
4048

>  <Formula> (4,048)
C8H6O

>  <MolWeight> (4,048)
118.13264

>  <Item Name> (4,048)
2,3-Benzofuran

>  <Catalog Number> (4,048)
S5587

>  <Synonyms> (4,048)
N/A

>  <Target> (4,048)
Others

>  <Form> (4,048)
free base

>  <URL> (4,048)
http://selleckchem.com/products/2-3-benzofuran.html

>  <CAS Number> (4,048)
271-89-6

$$$$
S5588 Creatine.cdx
csChFnd80/10101813032D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (4,049)
4049

>  <Formula> (4,049)
C4H9N3O2

>  <MolWeight> (4,049)
131.13316

>  <Item Name> (4,049)
Creatine

>  <Catalog Number> (4,049)
S5588

>  <Synonyms> (4,049)
Methylguanidoacetic acid

>  <Target> (4,049)
Others

>  <Form> (4,049)
free base

>  <URL> (4,049)
http://selleckchem.com/products/creatine.html

>  <CAS Number> (4,049)
57-00-1

$$$$
S5590 Camphene.cdx
csChFnd80/10101813032D

 10 11  0  0  0  0  0  0  0  0999 V2000
    1.2366    3.4630    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4451    2.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6008    4.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4451    1.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0212    2.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2402    4.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2297    2.0249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    1.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2614    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  5 10  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,050)
4050

>  <Formula> (4,050)
C10H16

>  <MolWeight> (4,050)
136.23404

>  <Item Name> (4,050)
Camphene

>  <Catalog Number> (4,050)
S5590

>  <Synonyms> (4,050)
N/A

>  <Target> (4,050)
Others

>  <Form> (4,050)
free base

>  <URL> (4,050)
http://selleckchem.com/products/camphene.html

>  <CAS Number> (4,050)
79-92-5

$$$$
S5594 ¦Á-Terpineol.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.1199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1483    4.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5483    1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    3.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  1  3  1  0  0  0  0
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  2  7  1  0  0  0  0
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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,051)
4051

>  <Formula> (4,051)
C10H18O

>  <MolWeight> (4,051)
154.24932

>  <Item Name> (4,051)
¦Á-Terpineol

>  <Catalog Number> (4,051)
S5594

>  <Synonyms> (4,051)
N/A

>  <Target> (4,051)
Others

>  <Form> (4,051)
free base

>  <URL> (4,051)
http://selleckchem.com/products/alpha-terpineol.html

>  <CAS Number> (4,051)
10482-56-1

$$$$
S5595 3-Carene.cdx
csChFnd80/10101813032D

 10 11  0  0  0  0  0  0  0  0999 V2000
    1.2376    4.1997    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4415    3.4852    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4583    4.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168    3.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9953    6.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8399    5.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2039    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
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  5  9  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,052)
4052

>  <Formula> (4,052)
C10H16

>  <MolWeight> (4,052)
136.23404

>  <Item Name> (4,052)
3-Carene

>  <Catalog Number> (4,052)
S5595

>  <Synonyms> (4,052)
Carene, Delta-3-Carene

>  <Target> (4,052)
Others

>  <Form> (4,052)
free base

>  <URL> (4,052)
http://selleckchem.com/products/3-carene.html

>  <CAS Number> (4,052)
13466-78-9

$$$$
S5596 (1S)-(-)-¦Á-Pinene.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.1829    1.8303    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1320    4.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2776    1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6336    3.0775    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1661    5.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5184    5.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2807    1.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2776    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    2.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9219    0.4169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689    4.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 11  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  6  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,053)
4053

>  <Formula> (4,053)
C10H16

>  <MolWeight> (4,053)
136.23404

>  <Item Name> (4,053)
(1S)-(-)-¦Á-Pinene

>  <Catalog Number> (4,053)
S5596

>  <Synonyms> (4,053)
N/A

>  <Target> (4,053)
Others

>  <Form> (4,053)
free base

>  <URL> (4,053)
http://selleckchem.com/products/1s-alpha-pinene.html

>  <CAS Number> (4,053)
785-26-4

$$$$
S5597 (1R)-(-)-Menthyl acetate.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.8633    2.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0758    2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8633    4.1809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481    2.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288    2.7865    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2097    2.1032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0101    2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0171    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2370    4.9030    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4421    4.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2370    6.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  6 12  1  6  0  0  0
  5  4  1  1  0  0  0
M  END
>  <Mol_ID> (4,054)
4054

>  <Formula> (4,054)
C12H22O2

>  <MolWeight> (4,054)
198.30188

>  <Item Name> (4,054)
(1R)-(-)-Menthyl acetate

>  <Catalog Number> (4,054)
S5597

>  <Synonyms> (4,054)
N/A

>  <Target> (4,054)
Others

>  <Form> (4,054)
free base

>  <URL> (4,054)
http://selleckchem.com/products/ 1r-menthyl-acetate.html

>  <CAS Number> (4,054)
2623-23-6

$$$$
S5598 p-Cymene.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
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  3  5  1  0  0  0  0
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  8 10  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,055)
4055

>  <Formula> (4,055)
C10H14

>  <MolWeight> (4,055)
134.21816

>  <Item Name> (4,055)
p-Cymene

>  <Catalog Number> (4,055)
S5598

>  <Synonyms> (4,055)
4-Isopropyltoluene, 4-Methylcumene, Paracymene

>  <Target> (4,055)
Others

>  <Form> (4,055)
free base

>  <URL> (4,055)
http://selleckchem.com/products/p-cymene.html

>  <CAS Number> (4,055)
99-87-6

$$$$
S5599 Sodium cholate.cdx
csChFnd80/10101813032D

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.1253    2.7724    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3395    3.4603    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9163    3.4762    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1092    1.3700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3558    4.8518    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6613    3.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6860    2.7886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9324    4.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    0.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3234    0.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6773    5.2656    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1412    5.5771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3718    6.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4618    4.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6697    1.4024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.5204    6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9931    8.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3633    8.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2606    7.3395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8522    9.7037    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  8  1  0  0  0  0
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  8 12  1  0  0  0  0
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 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (4,056)
4056

>  <Formula> (4,056)
C24H39NaO5

>  <MolWeight> (4,056)
430.55323

>  <Item Name> (4,056)
Sodium cholate

>  <Catalog Number> (4,056)
S5599

>  <Synonyms> (4,056)
N/A

>  <Target> (4,056)
Others

>  <Form> (4,056)
sodium salt

>  <URL> (4,056)
http://selleckchem.com/products/sodium-cholate.html

>  <CAS Number> (4,056)
361-09-1

$$$$
S5614 (+)-Longifolene.cdx
csChFnd80/10101813032D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.3982    1.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2212    2.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6074    1.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6072    4.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    2.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1877    3.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9723    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9725    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668    3.6730    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0670    2.2730    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0670    0.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  6  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 10 17  1  6  0  0  0
M  END
>  <Mol_ID> (4,057)
4057

>  <Formula> (4,057)
C15H24

>  <MolWeight> (4,057)
204.35106

>  <Item Name> (4,057)
(+)-Longifolene

>  <Catalog Number> (4,057)
S5614

>  <Synonyms> (4,057)
N/A

>  <Target> (4,057)
Others

>  <Form> (4,057)
free base

>  <URL> (4,057)
http://selleckchem.com/products/longifolene.html

>  <CAS Number> (4,057)
475-20-7

$$$$
S5618 Hippuric acid.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4282    2.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407    2.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    2.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514    2.0970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407    4.1979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0038    2.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0681    2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    2.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4812    2.7991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    0.6955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (4,058)
4058

>  <Formula> (4,058)
C9H9NO3

>  <MolWeight> (4,058)
179.17266

>  <Item Name> (4,058)
Hippuric acid

>  <Catalog Number> (4,058)
S5618

>  <Synonyms> (4,058)
2-Benzamidoacetic acid, Benzoylglycine

>  <Target> (4,058)
Others

>  <Form> (4,058)
free base

>  <URL> (4,058)
http://selleckchem.com/products/hippuric-acid.html

>  <CAS Number> (4,058)
495-69-2

$$$$
S5628 L-Valine.cdx
csChFnd80/10101813032D

  8  7  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  6  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,059)
4059

>  <Formula> (4,059)
C5H11NO2

>  <MolWeight> (4,059)
117.14634

>  <Item Name> (4,059)
L-Valine

>  <Catalog Number> (4,059)
S5628

>  <Synonyms> (4,059)
N/A

>  <Target> (4,059)
Others

>  <Form> (4,059)
free base

>  <URL> (4,059)
http://selleckchem.com/products/l-valine.html

>  <CAS Number> (4,059)
72-18-4

$$$$
S5629 L-Proline.cdx
csChFnd80/10101813032D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2155    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4280    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0703    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9405    1.5302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6404    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4280    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022    3.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (4,060)
4060

>  <Formula> (4,060)
C5H9NO2

>  <MolWeight> (4,060)
115.13046

>  <Item Name> (4,060)
L-Proline

>  <Catalog Number> (4,060)
S5629

>  <Synonyms> (4,060)
N/A

>  <Target> (4,060)
Others

>  <Form> (4,060)
free base

>  <URL> (4,060)
http://selleckchem.com/products/l-proline.html

>  <CAS Number> (4,060)
147-85-3

$$$$
S5630 L-lysine.cdx
csChFnd80/10101813032D

 10  9  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0654    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0632    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384    1.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    1.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2725    3.5019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4881    1.4037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,061)
4061

>  <Formula> (4,061)
C6H14N2O2

>  <MolWeight> (4,061)
146.18756

>  <Item Name> (4,061)
L-lysine

>  <Catalog Number> (4,061)
S5630

>  <Synonyms> (4,061)
N/A

>  <Target> (4,061)
Others

>  <Form> (4,061)
free base

>  <URL> (4,061)
http://selleckchem.com/products/l-proline.html

>  <CAS Number> (4,061)
56-87-1

$$$$
S5631 L-Alanine.cdx
csChFnd80/10101813032D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.2138    1.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4275    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
M  END
>  <Mol_ID> (4,062)
4062

>  <Formula> (4,062)
C3H7NO2

>  <MolWeight> (4,062)
89.09318

>  <Item Name> (4,062)
L-Alanine

>  <Catalog Number> (4,062)
S5631

>  <Synonyms> (4,062)
N/A

>  <Target> (4,062)
Others

>  <Form> (4,062)
free base

>  <URL> (4,062)
http://selleckchem.com/products/l-alanine.html

>  <CAS Number> (4,062)
 56-41-7

$$$$
S5632 L-aspartic Acid.cdx
csChFnd80/10101813032D

  9  8  0  0  0  0  0  0  0  0999 V2000
    3.6380    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4243    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (4,063)
4063

>  <Formula> (4,063)
C4H7NO4

>  <MolWeight> (4,063)
133.10268

>  <Item Name> (4,063)
L-aspartic Acid

>  <Catalog Number> (4,063)
S5632

>  <Synonyms> (4,063)
N/A

>  <Target> (4,063)
Others

>  <Form> (4,063)
free base

>  <URL> (4,063)
http://selleckchem.com/products/l-aspartic-acid.html

>  <CAS Number> (4,063)
56-84-8

$$$$
S5633 L-methionine.cdx
csChFnd80/10101813032D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.8508    1.3994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0636    2.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    2.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2763    1.3994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0636    3.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    2.0989    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,064)
4064

>  <Formula> (4,064)
C5H11NO2S

>  <MolWeight> (4,064)
149.21134

>  <Item Name> (4,064)
L-methionine

>  <Catalog Number> (4,064)
S5633

>  <Synonyms> (4,064)
N/A

>  <Target> (4,064)
Others

>  <Form> (4,064)
free base

>  <URL> (4,064)
http://selleckchem.com/products/l-methionine.html

>  <CAS Number> (4,064)
63-68-3

$$$$
S5634 L-arginine.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.0633    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8523    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4896    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7006    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4896    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    3.4998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  1  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,065)
4065

>  <Formula> (4,065)
C6H14N4O2

>  <MolWeight> (4,065)
174.20096

>  <Item Name> (4,065)
L-arginine

>  <Catalog Number> (4,065)
S5634

>  <Synonyms> (4,065)
N/A

>  <Target> (4,065)
Others

>  <Form> (4,065)
free base

>  <URL> (4,065)
http://selleckchem.com/products/l-arginine.html

>  <CAS Number> (4,065)
74-79-3

$$$$
S5635 L-cysteine.cdx
csChFnd80/10101813032D

  7  6  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,066)
4066

>  <Formula> (4,066)
C3H7NO2S

>  <MolWeight> (4,066)
121.15818

>  <Item Name> (4,066)
L-cysteine

>  <Catalog Number> (4,066)
S5635

>  <Synonyms> (4,066)
N/A

>  <Target> (4,066)
Others

>  <Form> (4,066)
free base

>  <URL> (4,066)
http://selleckchem.com/products/l-cysteine.html

>  <CAS Number> (4,066)
 52-90-4

$$$$
S5636 Methyl furan-2-carboxylate.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.3315    0.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2544    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2544    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6544    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,067)
4067

>  <Formula> (4,067)
C6H6O3

>  <MolWeight> (4,067)
126.11004

>  <Item Name> (4,067)
Methyl furan-2-carboxylate

>  <Catalog Number> (4,067)
S5636

>  <Synonyms> (4,067)
Methyl pyromucate, Methyl 2-furoate

>  <Target> (4,067)
Others

>  <Form> (4,067)
free base

>  <URL> (4,067)
http://selleckchem.com/products/methyl-furan-2-carboxylate.html

>  <CAS Number> (4,067)
611-13-2

$$$$
UM-164.cdx
csChFnd80/10101813032D

 45 49  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.7418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (4,068)
C30H31F3N8O3S

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UM-164

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>  <Synonyms> (4,068)
N/A

>  <Target> (4,068)
Src,p38 MAPK

>  <Form> (4,068)
free base

>  <URL> (4,068)
http://selleckchem.com/products/um-164.html

>  <CAS Number> (4,068)
903564-48-7

$$$$
>  <Mol_ID> (4,069)
4069

>  <Item Name> (4,069)
Tetrahydrocurcumin

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S3917

>  <Synonyms> (4,069)
Tetrahydrodiferuloylmethane

>  <Target> (4,069)
others

>  <URL> (4,069)
http://selleckchem.com/products/.html

>  <CAS Number> (4,069)
36062-04-1

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/10101813032D

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4070

>  <Formula> (4,070)
C20H18O6

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354.35332

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Acetyl Resveratrol

>  <Catalog Number> (4,070)
S3934

>  <Synonyms> (4,070)
N/A

>  <Target> (4,070)
Sirt12

>  <Form> (4,070)
free base

>  <URL> (4,070)
http://selleckchem.com/products/.html

>  <CAS Number> (4,070)
42206-94-0

$$$$
S3935 Nonivamide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,071)
4071

>  <Formula> (4,071)
C17H27NO3

>  <MolWeight> (4,071)
293.40118

>  <Item Name> (4,071)
Nonivamide

>  <Catalog Number> (4,071)
S3935

>  <Synonyms> (4,071)
?Pseudocapsaicin; Pelargonic acid vanillylamide; Nonanoic acid vanillylamide

>  <Target> (4,071)
TRP Channel

>  <Form> (4,071)
free base

>  <URL> (4,071)
http://selleckchem.com/products/.html

>  <CAS Number> (4,071)
2444-46-4

$$$$
S3936 7-Hydroxycarbostyril.cdx
csChFnd80/10101813032D

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>  <Formula> (4,072)
C9H7NO2

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7-Hydroxycarbostyril

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S3936

>  <Synonyms> (4,072)
N/A

>  <Target> (4,072)
others

>  <Form> (4,072)
free base

>  <URL> (4,072)
http://selleckchem.com/products/.html

>  <CAS Number> (4,072)
70500-72-0

$$$$
S3937 Pterostilbene.cdx
csChFnd80/10101813032D

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>  <Formula> (4,073)
C16H16O3

>  <MolWeight> (4,073)
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Pterostilbene

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>  <Synonyms> (4,073)
N/A

>  <Target> (4,073)
autophagy

>  <Form> (4,073)
free base

>  <URL> (4,073)
http://selleckchem.com/products/.html

>  <CAS Number> (4,073)
537-42-8

$$$$
S3966 Nifuratel.cdx
csChFnd80/10101813032D

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>  <Formula> (4,074)
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>  <Item Name> (4,074)
Nifuratel

>  <Catalog Number> (4,074)
S3966

>  <Synonyms> (4,074)
N/A

>  <Target> (4,074)
Antibacterial

>  <Form> (4,074)
free base

>  <URL> (4,074)
http://selleckchem.com/products/.html

>  <CAS Number> (4,074)
4936-47-4

$$$$
S4891 1-Aminohydantoin Hydrochloride.cdx
csChFnd80/10101813032D

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>  <Formula> (4,075)
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>  <MolWeight> (4,075)
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1-Aminohydantoin Hydrochloride

>  <Catalog Number> (4,075)
S4891

>  <Synonyms> (4,075)
N/A

>  <Target> (4,075)
Others

>  <URL> (4,075)
http://selleckchem.com/products/1-aminohydantoin-hydrochloride.html

>  <CAS Number> (4,075)
2827-56-7

$$$$
S4984 2,2'-Cyclouridine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,076)
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>  <Formula> (4,076)
C9H10N2O5

>  <MolWeight> (4,076)
226.1861

>  <Item Name> (4,076)
2,2'-Cyclouridine

>  <Catalog Number> (4,076)
S4984

>  <Target> (4,076)
Others

>  <Form> (4,076)
free base

>  <URL> (4,076)
http://selleckchem.com/products/2-2-cyclouridine.html

>  <CAS Number> (4,076)
3736-77-4

$$$$
S4998 2-Aminobenzenesulfonamide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,077)
4077

>  <Formula> (4,077)
C6H8N2O2S

>  <MolWeight> (4,077)
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>  <Item Name> (4,077)
2-Aminobenzenesulfonamide

>  <Catalog Number> (4,077)
S4998

>  <Synonyms> (4,077)
Orthanilamide

>  <Target> (4,077)
DHPS

>  <URL> (4,077)
http://selleckchem.com/products/.html

>  <CAS Number> (4,077)
3306-62-5

$$$$
S5102 Stachyose.cdx
csChFnd80/10101813032D

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>  <Formula> (4,078)
C24H50O25

>  <MolWeight> (4,078)
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>  <Item Name> (4,078)
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>  <Catalog Number> (4,078)
S5102

>  <Synonyms> (4,078)
N/A

>  <Target> (4,078)
others

>  <Form> (4,078)
free base

>  <URL> (4,078)
http://selleckchem.com/products/.html

>  <CAS Number> (4,078)
10094-58-3

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/10101813032D

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M  END
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>  <Formula> (4,079)
C28H23ClF3N7O

>  <MolWeight> (4,079)
565.9767296

>  <Item Name> (4,079)
Nilotinib hydrochloride

>  <Catalog Number> (4,079)
S5205

>  <Synonyms> (4,079)
AMN-107 HCl

>  <Target> (4,079)
Bcr-Abl

>  <Form> (4,079)
hydrochloride 

>  <URL> (4,079)
http://selleckchem.com/products/nilotinib-hydrochloride.html

>  <CAS Number> (4,079)
923288-95-3

$$$$
S5239 Paroxetine mesylate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,080)
4080

>  <Formula> (4,080)
C20H24FNO6S

>  <MolWeight> (4,080)
425.4710632

>  <Item Name> (4,080)
Paroxetine mesylate

>  <Catalog Number> (4,080)
S5239

>  <Synonyms> (4,080)
N/A

>  <Target> (4,080)
5-HT Receptor

>  <Form> (4,080)
Mesylate

>  <URL> (4,080)
http://selleckchem.com/products/paroxetine-mesylate.html

>  <CAS Number> (4,080)
217797-14-3

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,081)
4081

>  <Formula> (4,081)
C22H23ClN4O7S

>  <MolWeight> (4,081)
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>  <Item Name> (4,081)
lenvatinib Mesylate

>  <Catalog Number> (4,081)
S5240

>  <Synonyms> (4,081)
N/A

>  <Target> (4,081)
VEGFR

>  <Form> (4,081)
Mesylate

>  <URL> (4,081)
http://selleckchem.com/products/lenvatinib-mesylate.html

>  <CAS Number> (4,081)
 857890-39-2

$$$$
S5247 Selamectin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,082)
4082

>  <Formula> (4,082)
C43H63NO11

>  <MolWeight> (4,082)
769.96042

>  <Item Name> (4,082)
Selamectin

>  <Catalog Number> (4,082)
S5247

>  <Synonyms> (4,082)
N/A

>  <Target> (4,082)
others

>  <Form> (4,082)
free base

>  <URL> (4,082)
http://selleckchem.com/products/.html

>  <CAS Number> (4,082)
 220119-17-5

$$$$
S5259 ¦Â-Nicotinamide Mononucleotide.cdx
csChFnd80/10101813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,083)
4083

>  <Formula> (4,083)
C11H15N2O8P

>  <MolWeight> (4,083)
334.219161

>  <Item Name> (4,083)
¦Â-Nicotinamide Mononucleotide

>  <Catalog Number> (4,083)
S5259

>  <Form> (4,083)
inner salt

>  <CAS Number> (4,083)
1094-61-7

$$$$
S5265 TBB.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,084)
4084

>  <Formula> (4,084)
C6HBr4N3

>  <MolWeight> (4,084)
434.70824

>  <Item Name> (4,084)
TBB

>  <Catalog Number> (4,084)
S5265

>  <Synonyms> (4,084)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (4,084)
Casein Kinase

>  <URL> (4,084)
http://selleckchem.com/products/tbb.html

>  <CAS Number> (4,084)
17374-26-4

$$$$
S5267 Nylidrin Hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,085)
4085

>  <Formula> (4,085)
C19H26ClNO2

>  <MolWeight> (4,085)
335.86824

>  <Item Name> (4,085)
Nylidrin Hydrochloride

>  <Catalog Number> (4,085)
S5267

>  <Synonyms> (4,085)
Buphenine hydrochloride

>  <Target> (4,085)
¦Â-adrenergic receptor

>  <Form> (4,085)
hydrochloride 

>  <URL> (4,085)
http://selleckchem.com/products/.html

>  <CAS Number> (4,085)
849-55-8

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/10101813032D

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   10.2801    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2801    4.8472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7050    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1299    6.2472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  2  0  0  0  0
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M  END
>  <Mol_ID> (4,086)
4086

>  <Formula> (4,086)
C22H28FN4O6P

>  <MolWeight> (4,086)
494.4530842

>  <Item Name> (4,086)
Toceranib phosphate

>  <Catalog Number> (4,086)
S5272

>  <Synonyms> (4,086)
SU11654

>  <Target> (4,086)
PDGFR¦Â

>  <Form> (4,086)
phosphate 

>  <URL> (4,086)
http://selleckchem.com/products/.html

>  <CAS Number> (4,086)
874819-74-6

$$$$
S5326 Dolasetron.cdx
csChFnd80/10101813032D

 26 30  0  0  0  0  0  0  0  0999 V2000
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  9  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,087)
4087

>  <Formula> (4,087)
C19H20N2O3

>  <MolWeight> (4,087)
324.3737

>  <Item Name> (4,087)
Dolasetron

>  <Catalog Number> (4,087)
S5326

>  <Synonyms> (4,087)
MDL-73147

>  <Target> (4,087)
5-HT3

>  <Form> (4,087)
free base

>  <URL> (4,087)
http://selleckchem.com/products/.html

>  <CAS Number> (4,087)
115956-12-2

$$$$
S5351 Cefmetazole sodium.cdx
csChFnd80/10101813032D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,088)
4088

>  <Formula> (4,088)
C15H16N7NaO5S3

>  <MolWeight> (4,088)
493.51621

>  <Item Name> (4,088)
Cefmetazole sodium

>  <Catalog Number> (4,088)
S5351

>  <Synonyms> (4,088)
Sodium cefmetazole

>  <Target> (4,088)
others

>  <Form> (4,088)
sodium salt

>  <URL> (4,088)
http://selleckchem.com/products/.html

>  <CAS Number> (4,088)
56796-39-5

$$$$
S5352 Cefminox Sodium.cdx
csChFnd80/10101813032D

 35 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,089)
4089

>  <Formula> (4,089)
C16H20N7NaO7S3

>  <MolWeight> (4,089)
541.55747

>  <Item Name> (4,089)
Cefminox Sodium

>  <Catalog Number> (4,089)
S5352

>  <Synonyms> (4,089)
Meicelin, MT-141

>  <Target> (4,089)
Anti-infection

>  <Form> (4,089)
sodium salt

>  <URL> (4,089)
http://selleckchem.com/products/cefminox-sodium.html

>  <CAS Number> (4,089)
75498-96-3 

$$$$
S5356 Ceftiofur.cdx
csChFnd80/10101813032D

 35 38  0  0  0  0  0  0  0  0999 V2000
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   10.0702    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,090)
4090

>  <Formula> (4,090)
C19H17N5O7S3

>  <MolWeight> (4,090)
523.56258

>  <Item Name> (4,090)
Ceftiofur

>  <Catalog Number> (4,090)
S5356

>  <Synonyms> (4,090)
N/A

>  <Target> (4,090)
Anti-infection

>  <Form> (4,090)
free base

>  <URL> (4,090)
http://selleckchem.com/products/ceftiofur.html

>  <CAS Number> (4,090)
80370-57-6 

$$$$
S5357 Safinamide.cdx
csChFnd80/10101813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,091)
4091

>  <Formula> (4,091)
C17H19FN2O2

>  <MolWeight> (4,091)
302.3433632

>  <Item Name> (4,091)
Safinamide

>  <Catalog Number> (4,091)
S5357

>  <Synonyms> (4,091)
EMD-1195686, PNU-15774E

>  <Target> (4,091)
MAO

>  <Form> (4,091)
free base

>  <URL> (4,091)
http://selleckchem.com/products/safinamide.html

>  <CAS Number> (4,091)
133865-89-1

$$$$
S5358 Regadenoson.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,092)
4092

>  <Formula> (4,092)
C15H18N8O5

>  <MolWeight> (4,092)
390.35402

>  <Item Name> (4,092)
Regadenoson

>  <Catalog Number> (4,092)
S5358

>  <Synonyms> (4,092)
CVT-3146, Lexiscan

>  <Target> (4,092)
Adenosine Receptor

>  <Form> (4,092)
free base

>  <URL> (4,092)
http://selleckchem.com/products/regadenoson.html

>  <CAS Number> (4,092)
313348-27-5  

$$$$
S5360 Diflorasone.cdx
csChFnd80/10101813032D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  3  9  1  0  0  0  0
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M  END
>  <Mol_ID> (4,093)
4093

>  <Formula> (4,093)
C22H28F2O5

>  <MolWeight> (4,093)
410.4515264

>  <Item Name> (4,093)
Diflorasone

>  <Catalog Number> (4,093)
S5360

>  <Synonyms> (4,093)
N/A

>  <Target> (4,093)
Glucocorticoid receptor

>  <Form> (4,093)
free base

>  <URL> (4,093)
http://selleckchem.com/products/.html

>  <CAS Number> (4,093)
2557-49-5

$$$$
S5361 Bendazac.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,094)
4094

>  <Formula> (4,094)
C16H14N2O3

>  <MolWeight> (4,094)
282.29396

>  <Item Name> (4,094)
Bendazac

>  <Catalog Number> (4,094)
S5361

>  <Synonyms> (4,094)
bendazolic acid, AF-983

>  <Target> (4,094)
Immunology & Inflammation related

>  <Form> (4,094)
free base

>  <URL> (4,094)
http://selleckchem.com/products/bendazac.html

>  <CAS Number> (4,094)
20187-55-7

$$$$
S5369 Ethoxyquin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,095)
4095

>  <Formula> (4,095)
C14H19NO

>  <MolWeight> (4,095)
217.30676

>  <Item Name> (4,095)
Ethoxyquin

>  <Catalog Number> (4,095)
S5369

>  <Form> (4,095)
free base

>  <CAS Number> (4,095)
91-53-2

$$$$
S5373 Pseudolaric Acid B.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,096)
4096

>  <Formula> (4,096)
C23H28O8

>  <MolWeight> (4,096)
432.46362

>  <Item Name> (4,096)
Pseudolaric Acid B

>  <Catalog Number> (4,096)
S5373

>  <Synonyms> (4,096)
N/A

>  <Target> (4,096)
p38

>  <Form> (4,096)
S5369

>  <URL> (4,096)
http://selleckchem.com/products/.html

>  <CAS Number> (4,096)
82508-31-4 

$$$$
S5388 Betrixaban.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,097)
4097

>  <Formula> (4,097)
C23H22ClN5O3

>  <MolWeight> (4,097)
451.90548

>  <Item Name> (4,097)
Betrixaban

>  <Catalog Number> (4,097)
S5388

>  <Synonyms> (4,097)
PRT054021

>  <Target> (4,097)
factor Xa(fXa)

>  <Form> (4,097)
free base

>  <URL> (4,097)
http://selleckchem.com/products/.html

>  <CAS Number> (4,097)
330942-05-7

$$$$
S5389 Betrixaban maleate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,098)
4098

>  <Formula> (4,098)
C27H26ClN5O7

>  <MolWeight> (4,098)
567.97764

>  <Item Name> (4,098)
Betrixaban maleate

>  <Catalog Number> (4,098)
S5389

>  <Synonyms> (4,098)
N/A

>  <Target> (4,098)
factor Xa?(fXa)

>  <Form> (4,098)
maleate

>  <URL> (4,098)
http://selleckchem.com/products/.html

>  <CAS Number> (4,098)
936539-80-9

$$$$
S5393 Cyclofenil.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,099)
4099

>  <Formula> (4,099)
C23H24O4

>  <MolWeight> (4,099)
364.43426

>  <Item Name> (4,099)
Cyclofenil

>  <Catalog Number> (4,099)
S5393

>  <Synonyms> (4,099)
F-6066; H-3452

>  <Target> (4,099)
estrogen receptor

>  <Form> (4,099)
free base

>  <URL> (4,099)
http://selleckchem.com/products/.html

>  <CAS Number> (4,099)
2624-43-3

$$$$
S5405 Propylparaben.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,100)
4100

>  <Formula> (4,100)
C10H12O3

>  <MolWeight> (4,100)
180.20048

>  <Item Name> (4,100)
Propylparaben

>  <Catalog Number> (4,100)
S5405

>  <Synonyms> (4,100)
4-Hydroxybenzoes?urepropylester

>  <Target> (4,100)
others

>  <URL> (4,100)
http://selleckchem.com/products/.html

>  <CAS Number> (4,100)
94-13-3

$$$$
S5411 Sultamicillin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,101)
4101

>  <Formula> (4,101)
C25H30N4O9S2

>  <MolWeight> (4,101)
594.6571

>  <Item Name> (4,101)
Sultamicillin

>  <Catalog Number> (4,101)
S5411

>  <Form> (4,101)
free base

>  <CAS Number> (4,101)
76497-13-7

$$$$
S5412 Loxoprofen sodium.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,102)
4102

>  <Formula> (4,102)
C15H17NaO3

>  <MolWeight> (4,102)
268.28345

>  <Item Name> (4,102)
Loxoprofen sodium

>  <Catalog Number> (4,102)
S5412

>  <Synonyms> (4,102)
N/A

>  <Target> (4,102)
Immunology

>  <Form> (4,102)
sodium salt 

>  <URL> (4,102)
http://selleckchem.com/products/.html

>  <CAS Number> (4,102)
80382-23-6

$$$$
S5413 Ertugliflozin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,103)
4103

>  <Formula> (4,103)
C22H25ClO7

>  <MolWeight> (4,103)
436.8827

>  <Item Name> (4,103)
Ertugliflozin

>  <Catalog Number> (4,103)
S5413

>  <Synonyms> (4,103)
PF-04971729?

>  <Target> (4,103)
SGLT2

>  <Form> (4,103)
free base

>  <URL> (4,103)
http://selleckchem.com/products/.html

>  <CAS Number> (4,103)
1210344-57-2

$$$$
ARQ 531.cdx
csChFnd80/10101813032D

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1923833-60-6

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CID16020046 (CID 16020046).cdx
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S5414 Diflucortolone valerate.cdx
csChFnd80/10101813032D

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59198-70-8

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M  END
>  <Mol_ID> (4,109)
4109

>  <Formula> (4,109)
C42H68O13

>  <MolWeight> (4,109)
780.98152

>  <Item Name> (4,109)
Saikosaponin A

>  <Catalog Number> (4,109)
S5466

>  <Synonyms> (4,109)
N/A

>  <Target> (4,109)
NF-¦ÊB

>  <Form> (4,109)
free base

>  <URL> (4,109)
http://selleckchem.com/products/.html

>  <CAS Number> (4,109)
20736-09-8

$$$$
S5482 Prilocaine hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,110)
4110

>  <Formula> (4,110)
C13H21ClN2O

>  <MolWeight> (4,110)
256.77164

>  <Item Name> (4,110)
Prilocaine hydrochloride

>  <Catalog Number> (4,110)
S5482

>  <Synonyms> (4,110)
N/A

>  <Target> (4,110)
Sodium channel

>  <Form> (4,110)
hydrochloride 

>  <URL> (4,110)
http://selleckchem.com/products/.html

>  <CAS Number> (4,110)
1786-81-8

$$$$
S5493 Atropine sulfate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,111)
4111

>  <Formula> (4,111)
C34H48N2O10S

>  <MolWeight> (4,111)
676.81732

>  <Item Name> (4,111)
Atropine sulfate

>  <Catalog Number> (4,111)
S5493

>  <Synonyms> (4,111)
Sulfatropinol

>  <Target> (4,111)
Muscarinic AChR

>  <Form> (4,111)
sulfate 

>  <URL> (4,111)
http://selleckchem.com/products/.html

>  <CAS Number> (4,111)
 55-48-1

$$$$
S5394 Tizoxanide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,112)
4112

>  <Formula> (4,112)
C10H7N3O4S

>  <MolWeight> (4,112)
265.24528

>  <Item Name> (4,112)
 Tizoxanide

>  <Catalog Number> (4,112)
S5394

>  <Target> (4,112)
HCV Protease

>  <Form> (4,112)
free base

>  <URL> (4,112)
http://selleckchem.com/products/tizoxanide.html

>  <CAS Number> (4,112)
173903-47-4

$$$$
S5647 Emedastine Difumarate.cdx
csChFnd80/10101813032D

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>  <Formula> (4,113)
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>  <Item Name> (4,113)
Emedastine Difumarate

>  <Catalog Number> (4,113)
S5647

>  <Synonyms> (4,113)
Rapimine, Emedastine fumarate

>  <Target> (4,113)
Histamine Receptor

>  <URL> (4,113)
http://selleckchem.com/products/emedastine-difumarate.html

>  <CAS Number> (4,113)
87233-62-3

$$$$
S5648 Iguratimod.cdx
csChFnd80/10101813032D

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4114

>  <Formula> (4,114)
C17H14N2O6S

>  <MolWeight> (4,114)
374.36786

>  <Item Name> (4,114)
 Iguratimod

>  <Catalog Number> (4,114)
S5648

>  <Synonyms> (4,114)
T-614

>  <Target> (4,114)
Immunology & Inflammation related

>  <Form> (4,114)
free base

>  <URL> (4,114)
http://selleckchem.com/products/iguratimod.html

>  <CAS Number> (4,114)
123663-49-0

$$$$
S5651 Dexrazoxane.cdx
csChFnd80/10101813032D

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4115

>  <Formula> (4,115)
C11H16N4O4

>  <MolWeight> (4,115)
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>  <Item Name> (4,115)
Dexrazoxane

>  <Catalog Number> (4,115)
S5651

>  <Synonyms> (4,115)
ICRF-187

>  <Target> (4,115)
Others

>  <Form> (4,115)
free base

>  <URL> (4,115)
http://selleckchem.com/products/dexrazoxane.html

>  <CAS Number> (4,115)
24584-09-6

$$$$
S5712 Zofenopril calcium.cdx
csChFnd80/10101813032D

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 55 56  2  0  0  0  0
M  END
>  <Mol_ID> (4,116)
4116

>  <Formula> (4,116)
C44H44CaN2O8S4

>  <MolWeight> (4,116)
897.16676

>  <Item Name> (4,116)
Zofenopril calcium

>  <Catalog Number> (4,116)
S5712

>  <Form> (4,116)
calcium salt

>  <CAS Number> (4,116)
81938-43-4 

$$$$
CCT245737.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,117)
4117

>  <Formula> (4,117)
C16H16F3N7O

>  <MolWeight> (4,117)
379.3397496

>  <Item Name> (4,117)
CCT245737 

>  <Catalog Number> (4,117)
S8253

>  <Synonyms> (4,117)
N/A

>  <Target> (4,117)
Chk

>  <Form> (4,117)
free base

>  <URL> (4,117)
http://www.selleckchem.com/products/cct245737.html

>  <CAS Number> (4,117)
1489389-18-5

$$$$
S4653 L-Ornithine hydrochloride.cdx
csChFnd80/10101813032D

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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,118)
4118

>  <Formula> (4,118)
C5H13ClN2O2

>  <MolWeight> (4,118)
168.62192

>  <Item Name> (4,118)
L-Ornithine hydrochloride

>  <Catalog Number> (4,118)
S4653

>  <Form> (4,118)
hydrochloride 

>  <CAS Number> (4,118)
3184-13-2

$$$$
S5494 Salbutamol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,119)
4119

>  <Formula> (4,119)
C13H21NO3

>  <MolWeight> (4,119)
239.31074

>  <Item Name> (4,119)
Salbutamol

>  <Catalog Number> (4,119)
S5494

>  <Synonyms> (4,119)
Albuterol; AH-3365

>  <Target> (4,119)
¦Â-adrenergic receptor

>  <Form> (4,119)
free base

>  <URL> (4,119)
http://selleckchem.com/products/.html

>  <CAS Number> (4,119)
18559-94-9

$$$$
S5500 Amodiaquine hydrochloride.cdx
csChFnd80/10101813032D

 27 27  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
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 16  3  1  0  0  0  0
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 12  5  1  0  0  0  0
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 17  7  2  0  0  0  0
 18  8  1  0  0  0  0
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 21  9  1  0  0  0  0
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 25 22  1  0  0  0  0
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M  END
>  <Mol_ID> (4,120)
4120

>  <Formula> (4,120)
C20H24Cl3N3O

>  <MolWeight> (4,120)
428.78306

>  <Item Name> (4,120)
Amodiaquine hydrochloride

>  <Catalog Number> (4,120)
S5500

>  <Synonyms> (4,120)
N/A

>  <Target> (4,120)
HnMT

>  <Form> (4,120)
dihydrochloride 

>  <URL> (4,120)
http://selleckchem.com/products/.html

>  <CAS Number> (4,120)
69-44-3

$$$$
S5501 Hydrocortisone acetate.cdx
csChFnd80/10101813032D

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 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
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 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (4,121)
4121

>  <Formula> (4,121)
C23H32O6

>  <MolWeight> (4,121)
404.49658

>  <Item Name> (4,121)
Hydrocortisone acetate

>  <Catalog Number> (4,121)
S5501

>  <Synonyms> (4,121)
Hydrocortisone 21-acetate

>  <Target> (4,121)
Glucocorticoid receptor

>  <Form> (4,121)
free base

>  <URL> (4,121)
http://selleckchem.com/products/.html

>  <CAS Number> (4,121)
50-03-3

$$$$
S5537 Tizanidine.cdx
csChFnd80/10101813032D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.5609    2.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    2.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5609    0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8814    2.5613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    4.2284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511    2.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3449    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926    0.2700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6922    1.4030    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1601    4.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511    0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9188    2.8356    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0586    6.3418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8976    4.4119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6970    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
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  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (4,122)
4122

>  <Formula> (4,122)
C9H8ClN5S

>  <MolWeight> (4,122)
253.71132

>  <Item Name> (4,122)
Tizanidine

>  <Catalog Number> (4,122)
S5537

>  <CAS Number> (4,122)
51322-75-9

$$$$
S5540 Landiolol hydrochloride.cdx
csChFnd80/10101813032D

 37 38  0  0  0  0  0  0  0  0999 V2000
    7.2156    2.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4277    2.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6397    2.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2156    0.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0035    2.7358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8518    2.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8518    4.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0467    4.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2473    4.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2473    2.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0348    2.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4654    4.8953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   24.1601    6.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8881    6.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7914    2.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793    2.7358    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4324    4.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0588    4.4244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3566    3.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2963    2.1646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1270    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
 17 18  1  0  0  0  0
 16 17  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 20 24  1  0  0  0  0
 19 20  1  0  0  0  0
 18 19  1  0  0  0  0
 15 16  1  0  0  0  0
 14 28  1  1  0  0  0
  9 12  1  0  0  0  0
  3  6  1  0  0  0  0
  5 29  1  0  0  0  0
 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 30  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (4,123)
4123

>  <Formula> (4,123)
C25H40ClN3O8

>  <MolWeight> (4,123)
546.0534

>  <Item Name> (4,123)
Landiolol hydrochloride

>  <Catalog Number> (4,123)
S5540

>  <Synonyms> (4,123)
N/A

>  <Target> (4,123)
others

>  <Form> (4,123)
hydrochloride 

>  <URL> (4,123)
http://selleckchem.com/products/.html

>  <CAS Number> (4,123)
144481-98-1

$$$$
S5542 7-Nitroindazole.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.3674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5792    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,124)
4124

>  <Formula> (4,124)
C7H5N3O2

>  <MolWeight> (4,124)
163.1335

>  <Item Name> (4,124)
7-Nitroindazole

>  <Catalog Number> (4,124)
S5542

>  <Synonyms> (4,124)
N/A

>  <Target> (4,124)
neuronal?nitric oxide synthase

>  <Form> (4,124)
free base

>  <URL> (4,124)
http://selleckchem.com/products/.html

>  <CAS Number> (4,124)
2942-42-9

$$$$
S5559 Tetrahydropalmatine.cdx
csChFnd80/10101813032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2654    2.7956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2642    4.1956    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4760    4.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0536    2.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8393    4.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0512    4.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    2.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6891    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
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 11 10  1  0  0  0  0
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 18 17  1  0  0  0  0
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 22 15  1  0  0  0  0
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 25 20  1  0  0  0  0
 26 22  1  0  0  0  0
 16  9  1  0  0  0  0
  6  2  1  0  0  0  0
 13 12  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (4,125)
4125

>  <Formula> (4,125)
C21H25NO4

>  <MolWeight> (4,125)
355.4275

>  <Item Name> (4,125)
Tetrahydropalmatine

>  <Catalog Number> (4,125)
S5559

>  <Form> (4,125)
free base

>  <CAS Number> (4,125)
2934-97-6

$$$$
S5560 Midecamycin.cdx
csChFnd80/10101813032D

 57 59  0  0  0  0  0  0  0  0999 V2000
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 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (4,130)
4130

>  <Formula> (4,130)
C32H31BrN2O2

>  <MolWeight> (4,130)
555.50474

>  <Item Name> (4,130)
Bedaquiline

>  <Catalog Number> (4,130)
S5623

>  <Synonyms> (4,130)
TMC207; R207910

>  <Target> (4,130)
tuberculosis

>  <Form> (4,130)
free base

>  <URL> (4,130)
http://selleckchem.com/products/.html

>  <CAS Number> (4,130)
843663-66-1

$$$$
S5626 Benzalkonium chloride.cdx
csChFnd80/10101813032D

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    1.2094    3.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    0.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063    0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6343    3.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    1.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2716    2.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4841    1.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6965    2.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9089    1.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1214    2.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5468    3.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9719    0.4375    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
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A   18
2-7
M  END
>  <Mol_ID> (4,131)
4131

>  <Formula> (4,131)
C15H26ClNR

>  <MolWeight> (4,131)
255.82664

>  <Item Name> (4,131)
Benzalkonium chloride

>  <Catalog Number> (4,131)
S5626

>  <Synonyms> (4,131)
N/A

>  <Target> (4,131)
Immunology & Inflammation related

>  <Form> (4,131)
free base

>  <URL> (4,131)
http://selleckchem.com/products/.html

>  <CAS Number> (4,131)
63449-41-2

$$$$
S5639 3,4-Dihydroxyphenylacetic acid.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  6  8  1  0  0  0  0
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  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,132)
4132

>  <Formula> (4,132)
C8H8O4

>  <MolWeight> (4,132)
168.14672

>  <Item Name> (4,132)
3,4-Dihydroxyphenylacetic acid

>  <Catalog Number> (4,132)
S5639

>  <Synonyms> (4,132)
N/A

>  <Target> (4,132)
others

>  <Form> (4,132)
free base

>  <URL> (4,132)
http://selleckchem.com/products/.html

>  <CAS Number> (4,132)
102-32-9

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/10101813032D

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    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4033    4.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
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 33 28  1  0  0  0  0
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 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
M  END
>  <Mol_ID> (4,133)
4133

>  <Formula> (4,133)
C30H34N8O3

>  <MolWeight> (4,133)
554.64276

>  <Item Name> (4,133)
Lazertinib (YH25448,GNS-1480)

>  <Catalog Number> (4,133)
S8724

>  <Form> (4,133)
free base

>  <CAS Number> (4,133)
1903008-80-9

$$$$
S5353 Cefpiramide sodium.cdx
csChFnd80/10101813032D

 44 47  0  0  0  0  0  0  0  0999 V2000
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   13.5059    2.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8755    2.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7511    2.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7079    2.2277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7511    4.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7046    0.1393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,134)
4134

>  <Formula> (4,134)
C25H23N8NaO7S2

>  <MolWeight> (4,134)
634.61929

>  <Item Name> (4,134)
Cefpiramide sodium

>  <Catalog Number> (4,134)
S5353

>  <CAS Number> (4,134)
74849-93-7 

$$$$
22d.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,139)
4139

>  <Formula> (4,139)
C32H35N5O5

>  <MolWeight> (4,139)
569.6508

>  <Item Name> (4,139)
Eluxadoline

>  <Catalog Number> (4,139)
S4855

>  <Synonyms> (4,139)
JNJ-27018966

>  <Target> (4,139)
opioid receptor

>  <URL> (4,139)
http://selleckchem.com/products/.html

>  <CAS Number> (4,139)
864821-90-9

$$$$
S4933 Lithium carbonate.cdx
csChFnd80/10101813032D

  6  4  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,140)
4140

>  <Formula> (4,140)
CHLi2O3

>  <MolWeight> (4,140)
74.89884

>  <Item Name> (4,140)
Lithium carbonate

>  <Catalog Number> (4,140)
S4933

>  <Synonyms> (4,140)
Lithobid

>  <Target> (4,140)
Others

>  <URL> (4,140)
http://selleckchem.com/products/.html

>  <CAS Number> (4,140)
554-13-2

$$$$
S4986 Latamoxef sodium.cdx
csChFnd80/10101813032D

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 13  7  2  0  0  0  0
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M  END
>  <Mol_ID> (4,141)
4141

>  <Formula> (4,141)
C20H18N6Na2O9S

>  <MolWeight> (4,141)
564.43626

>  <Item Name> (4,141)
Latamoxef sodium

>  <Catalog Number> (4,141)
S4986

>  <Synonyms> (4,141)
Moxalactam sodium salt

>  <Target> (4,141)
Antibacterial

>  <URL> (4,141)
http://selleckchem.com/products/.html

>  <CAS Number> (4,141)
64953-12-4

$$$$
S5065 Ganciclovir sodium.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,142)
4142

>  <Formula> (4,142)
C9H12N5NaO4

>  <MolWeight> (4,142)
277.21245

>  <Item Name> (4,142)
Ganciclovir sodium

>  <Catalog Number> (4,142)
S5065

>  <Synonyms> (4,142)
N/A

>  <Target> (4,142)
others

>  <URL> (4,142)
http://selleckchem.com/products/.html

>  <CAS Number> (4,142)
107910-75-8

$$$$
S5255 Nicardipine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,143)
4143

>  <Formula> (4,143)
C26H29N3O6

>  <MolWeight> (4,143)
479.52496

>  <Item Name> (4,143)
Nicardipine

>  <Catalog Number> (4,143)
S5255

>  <Synonyms> (4,143)
YC-93

>  <Target> (4,143)
Others

>  <URL> (4,143)
http://selleckchem.com/products/.html

>  <CAS Number> (4,143)
55985-32-5

$$$$
S5276 LY 344864 racemate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,144)
4144

>  <Formula> (4,144)
C21H22FN3O

>  <MolWeight> (4,144)
351.4172832

>  <Item Name> (4,144)
LY 344864 racemate

>  <Catalog Number> (4,144)
S5276

>  <Synonyms> (4,144)
N/A

>  <Target> (4,144)
5-HT

>  <URL> (4,144)
http://selleckchem.com/products/.html

>  <CAS Number> (4,144)
186543-64-6

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,145)
4145

>  <Formula> (4,145)
C9H10O5

>  <MolWeight> (4,145)
198.1727

>  <Item Name> (4,145)
Ethyl gallate

>  <Catalog Number> (4,145)
S5550

>  <Synonyms> (4,145)
N/A

>  <Target> (4,145)
NF-¦ÊB

>  <URL> (4,145)
http://selleckchem.com/products/.html

>  <CAS Number> (4,145)
831-61-8

$$$$
SCH772984 HCl.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,146)
4146

>  <Formula> (4,146)
C33H34ClN9O2

>  <MolWeight> (4,146)
624.13516

>  <Item Name> (4,146)
SCH772984 HCl

>  <Catalog Number> (4,146)
S8732

>  <Synonyms> (4,146)
N/A

>  <Target> (4,146)
ERK

>  <URL> (4,146)
http://selleckchem.com/products/.html

>  <CAS Number> (4,146)
942183-80-4(free base)

$$$$
SI-2.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,147)
4147

>  <Formula> (4,147)
C15H15N5

>  <MolWeight> (4,147)
265.3131

>  <Item Name> (4,147)
SI-2

>  <Catalog Number> (4,147)
S8635

>  <Target> (4,147)
SRC

>  <URL> (4,147)
http://selleckchem.com/products/.html

>  <CAS Number> (4,147)
380537-35-9

$$$$
>  <Mol_ID> (4,148)
4148

>  <Item Name> (4,148)
Oxytocin (Syntocinon)

>  <Catalog Number> (4,148)
P1029

>  <Form> (4,148)
Free Base

>  <URL> (4,148)
http://www.selleckchem.com/peptide/Oxytocin-Acetate(Syntocinon).html

>  <CAS Number> (4,148)
50-56-6

$$$$
>  <Mol_ID> (4,149)
4149

>  <Item Name> (4,149)
GHRP-2

>  <Catalog Number> (4,149)
P1049

>  <Form> (4,149)
Free Base

>  <CAS Number> (4,149)
158861-67-7

$$$$
>  <Mol_ID> (4,150)
4150

>  <Item Name> (4,150)
Bivalirudin Trifluoroacetate

>  <Catalog Number> (4,150)
P1004

>  <Form> (4,150)
Trifluoroacetat

>  <URL> (4,150)
http://www.selleckchem.com/peptide/bivalirudin-trifluoroacetate.html

>  <CAS Number> (4,150)
128270-60-0

$$$$
>  <Mol_ID> (4,151)
4151

>  <Item Name> (4,151)
Eptifibatide Acetate

>  <Catalog Number> (4,151)
P1011

>  <Form> (4,151)
Acetate

>  <CAS Number> (4,151)
148031-34-9

$$$$
>  <Mol_ID> (4,152)
4152

>  <Item Name> (4,152)
Lypressin Acetate

>  <Catalog Number> (4,152)
P1015

>  <Form> (4,152)
Acetate

>  <URL> (4,152)
http://www.selleckchem.com/peptide/lypressin-acetate.html

>  <CAS Number> (4,152)
50-57-7

$$$$
>  <Mol_ID> (4,153)
4153

>  <Item Name> (4,153)
Atosiban Acetate

>  <Catalog Number> (4,153)
P1025

>  <Form> (4,153)
Acetate

>  <URL> (4,153)
http://www.selleckchem.com/peptide/atosiban-acetate.html

>  <CAS Number> (4,153)
90779-69-4

$$$$
>  <Mol_ID> (4,154)
4154

>  <Item Name> (4,154)
Salmon Calcitonin Acetate

>  <Catalog Number> (4,154)
P1030

>  <Form> (4,154)
Acetate

>  <URL> (4,154)
http://www.selleckchem.com/peptide/salmon-calcitonin-acetate.html

>  <CAS Number> (4,154)
47931-85-1

$$$$
>  <Mol_ID> (4,155)
4155

>  <Item Name> (4,155)
Nafarelin Acetate

>  <Catalog Number> (4,155)
P1061

>  <Form> (4,155)
Acetate

>  <CAS Number> (4,155)
76932-56-4

$$$$
>  <Mol_ID> (4,156)
4156

>  <Item Name> (4,156)
Pramlintide Acetate

>  <Catalog Number> (4,156)
P1063

>  <Synonyms> (4,156)
N/A

>  <Form> (4,156)
Acetate

$$$$
>  <Mol_ID> (4,157)
4157

>  <Catalog Number> (4,157)
P1013

>  <Target> (4,157)
5-alpha Reductase

>  <URL> (4,157)
http://selleckchem.com/products/leuprorelin-acetate.html

>  <CAS Number> (4,157)
53714-56-0

$$$$
>  <Mol_ID> (4,158)
4158

>  <Catalog Number> (4,158)
P1023

>  <URL> (4,158)
http://selleckchem.com/products/alarelin-acetate.html

>  <CAS Number> (4,158)
79561-22-1

$$$$
>  <Mol_ID> (4,159)
4159

>  <Catalog Number> (4,159)
P1026

>  <Target> (4,159)
5-alpha Reductase

>  <URL> (4,159)
http://selleckchem.com/products/gonadorelin-acetate.html

>  <CAS Number> (4,159)
71447-49-9

$$$$
>  <Mol_ID> (4,160)
4160

>  <Catalog Number> (4,160)
P1034

>  <Target> (4,160)
5-alpha Reductase

>  <URL> (4,160)
http://selleckchem.com/products/terlipressin-acetate.html

>  <CAS Number> (4,160)
14636-12-5

$$$$
>  <Mol_ID> (4,161)
4161

>  <Catalog Number> (4,161)
P1056

>  <Target> (4,161)
5-alpha Reductase

>  <URL> (4,161)
http://selleckchem.com/products/glucagon-hydrochloride.html

>  <CAS Number> (4,161)
16941-32-5

$$$$
>  <Mol_ID> (4,162)
4162

>  <Catalog Number> (4,162)
P1085

>  <Target> (4,162)
Gq

>  <URL> (4,162)
http://selleckchem.com/products/.html

>  <CAS Number> (4,162)
68521-88-0

$$$$
S5672 Hydroxyhexamide.cdx
csChFnd80/10101813032D

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4163

>  <Formula> (4,163)
C15H22N2O4S

>  <MolWeight> (4,163)
326.41118

>  <Item Name> (4,163)
Hydroxyhexamide

>  <Catalog Number> (4,163)
S5672

>  <Form> (4,163)
free base

>  <CAS Number> (4,163)
3168-01-2

$$$$
>  <Mol_ID> (4,164)
4164

>  <Catalog Number> (4,164)
P1084

>  <Synonyms> (4,164)
DDAVP

>  <Target> (4,164)
V2 receptors

>  <CAS Number> (4,164)
16679-58-6(free base)

$$$$
Azasetron hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,165)
4165

>  <Formula> (4,165)
C17H21Cl2N3O3

>  <MolWeight> (4,165)
386.27294

>  <Item Name> (4,165)
Azasetron HCl

>  <Catalog Number> (4,165)
S2106

>  <Synonyms> (4,165)
N/A

>  <Target> (4,165)
5-HT Receptor

>  <Form> (4,165)
HCl

>  <URL> (4,165)
http://www.selleckchem.com/products/azasetron-hcl.html

>  <CAS Number> (4,165)
123040-16-4

$$$$
Apremilast (CC-10004).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,166)
4166

>  <Formula> (4,166)
C22H24N2O7S

>  <MolWeight> (4,166)
460.50016

>  <Item Name> (4,166)
Apremilast (CC-10004)
Apremilast (CC-10004)

>  <Catalog Number> (4,166)
S8034

>  <Synonyms> (4,166)
N/A

>  <Target> (4,166)
PDE

>  <Form> (4,166)
Free Base

>  <URL> (4,166)
http://www.selleckchem.com/products/apremilast-cc-10004.html

>  <CAS Number> (4,166)
608141-41-9

$$$$
Difluoxacin hydrochloride .cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,167)
4167

>  <Formula> (4,167)
C21H20ClF2N3O3

>  <MolWeight> (4,167)
435.8516064

>  <Item Name> (4,167)
Difloxacin hydrochloride

>  <Catalog Number> (4,167)
S5041

>  <Synonyms> (4,167)
N/A

>  <Target> (4,167)
Anti-infection

>  <Form> (4,167)
hydrochloride 

>  <URL> (4,167)
http://selleckchem.com/products/difloxacin-hydrochloride.html

>  <CAS Number> (4,167)
91296-86-5

$$$$
Edoxaban.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,168)
4168

>  <Formula> (4,168)
C31H40ClN7O8S2

>  <MolWeight> (4,168)
738.2744

>  <Item Name> (4,168)
Edoxaban

>  <Catalog Number> (4,168)
S7280

>  <Synonyms> (4,168)
DU-176b

>  <Target> (4,168)
Factor Xa

>  <Form> (4,168)
Tosylate hydrate

>  <URL> (4,168)
http://www.selleckchem.com/products/edoxaban.html

>  <CAS Number> (4,168)
1229194-11-9

$$$$
S9329 Orcinol.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2135    0.7130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2213    2.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,169)
4169

>  <Formula> (4,169)
C7H8O2

>  <MolWeight> (4,169)
124.13722

>  <Item Name> (4,169)
Orcinol

>  <Catalog Number> (4,169)
S9329

>  <Target> (4,169)
Others

>  <CAS Number> (4,169)
504-15-4

$$$$
S9330 6-Hydroxy-4-methylcoumarin.cdx
csChFnd80/10101813032D

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    6.0709    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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M  END
>  <Mol_ID> (4,170)
4170

>  <Formula> (4,170)
C10H8O3

>  <MolWeight> (4,170)
176.16872

>  <Item Name> (4,170)
 6-Hydroxy-4-methylcoumarin

>  <Catalog Number> (4,170)
S9330

>  <Target> (4,170)
Others

>  <Form> (4,170)
free base

>  <CAS Number> (4,170)
 2373-31-1

$$$$
S9335 Abscisic acid.cdx
csChFnd80/10101813032D

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 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (4,171)
4171

>  <Formula> (4,171)
C15H20O4

>  <MolWeight> (4,171)
264.3169

>  <Item Name> (4,171)
Abscisic acid

>  <Catalog Number> (4,171)
S9335

>  <Form> (4,171)
free base

>  <CAS Number> (4,171)
14375-45-2

$$$$
S9336 Ethyl Coumarin-3-carboxylate.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (4,172)
4172

>  <Formula> (4,172)
C12H10O4

>  <MolWeight> (4,172)
218.2054

>  <Item Name> (4,172)
Ethyl Coumarin-3-carboxylate

>  <Catalog Number> (4,172)
S9336

>  <Form> (4,172)
free base

>  <CAS Number> (4,172)
1846-76-0

$$$$
S9337 Ethyl vanillin acetate.cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.8536    4.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    3.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,173)
4173

>  <Formula> (4,173)
C11H12O4

>  <MolWeight> (4,173)
208.21058

>  <Item Name> (4,173)
Ethyl vanillin acetate

>  <Catalog Number> (4,173)
S9337

>  <Form> (4,173)
free base

>  <CAS Number> (4,173)
72207-94-4

$$$$
S9340 Bz-RS-ISer(3-Ph)-Ome.cdx
csChFnd80/10101813032D

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   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 10  1  1  0  0  0
  3  8  1  6  0  0  0
  6  4  2  0  0  0  0
  7  4  1  0  0  0  0
  9  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  2  0  0  0  0
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 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,174)
4174

>  <Formula> (4,174)
C17H17NO4

>  <MolWeight> (4,174)
299.32118

>  <Item Name> (4,174)
Bz-RS-ISer(3-Ph)-Ome

>  <Catalog Number> (4,174)
S9340

>  <Form> (4,174)
free base

>  <CAS Number> (4,174)
32981-85-4

$$$$
S9343 Sequoyitol.cdx
csChFnd80/10101813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  1  1  0  0  0
  7 12  1  1  0  0  0
  7 10  1  0  0  0  0
 10 13  1  1  0  0  0
M  END
>  <Mol_ID> (4,175)
4175

>  <Formula> (4,175)
C7H14O6

>  <MolWeight> (4,175)
194.18246

>  <Item Name> (4,175)
 Sequoyitol

>  <Catalog Number> (4,175)
S9343

>  <Form> (4,175)
free base

>  <CAS Number> (4,175)
523-92-2

$$$$
S9345 Disodium 5'-Inosinate.cdx
csChFnd80/10101813032D

 25 25  0  0  0  0  0  0  0  0999 V2000
    9.1359    2.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5686    4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8044    2.4641    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2686    2.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9686    4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8686    5.4406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6718    3.2870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3718    1.1326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4012    2.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6686    5.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9686    6.6531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0686    5.4406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0178    6.0302    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1404    6.0706    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3826    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
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 10 15  1  0  0  0  0
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 11 15  1  0  0  0  0
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 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,176)
4176

>  <Formula> (4,176)
C10H11N4Na2O8P

>  <MolWeight> (4,176)
392.169641

>  <Item Name> (4,176)
Disodium 5'-Inosinate

>  <Catalog Number> (4,176)
S9345

>  <Form> (4,176)
free base

>  <CAS Number> (4,176)
4691-65-0

$$$$
S9347 Allitol.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8495    1.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0620    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2743    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4867    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  3  9  1  1  0  0  0
  5 10  1  1  0  0  0
  4 11  1  6  0  0  0
  6 12  1  6  0  0  0
M  END
>  <Mol_ID> (4,177)
4177

>  <Formula> (4,177)
C6H14O6

>  <MolWeight> (4,177)
182.17176

>  <Item Name> (4,177)
Allitol

>  <Catalog Number> (4,177)
S9347

>  <Form> (4,177)
free base

>  <CAS Number> (4,177)
488-44-8

$$$$
S9348 D-(+)-Trehalose Anhydrous.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.6370    4.1746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8308    4.8742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550    4.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    2.7869    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.2413    4.1467    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4470    2.0674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0405    2.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2581    4.8742    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2651    2.7513    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0199    4.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4628    0.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  6 11  1  0  0  0  0
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 10 15  1  0  0  0  0
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 15 21  1  1  0  0  0
 15 19  1  0  0  0  0
 19 22  1  6  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (4,178)
4178

>  <Formula> (4,178)
C12H22O11

>  <MolWeight> (4,178)
342.29648

>  <Item Name> (4,178)
D-(+)-Trehalose Anhydrous

>  <Catalog Number> (4,178)
S9348

>  <Form> (4,178)
free base

>  <CAS Number> (4,178)
99-20-7

$$$$
S9350 Ethyl 4-Methoxycinnamate.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  7 12  1  0  0  0  0
 14 15  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,179)
4179

>  <Formula> (4,179)
C12H14O3

>  <MolWeight> (4,179)
206.23776

>  <Item Name> (4,179)
Ethyl 4-Methoxycinnamate

>  <Catalog Number> (4,179)
S9350

>  <Form> (4,179)
free base

>  <CAS Number> (4,179)
24393-56-4

$$$$
S9354 Oxalic acid.cdx
csChFnd80/10101813032D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
M  END
>  <Mol_ID> (4,180)
4180

>  <Formula> (4,180)
C2H2O4

>  <MolWeight> (4,180)
90.03488

>  <Item Name> (4,180)
Oxalic acid

>  <Catalog Number> (4,180)
S9354

>  <Form> (4,180)
free base

>  <CAS Number> (4,180)
144-62-7

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/10101813032D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4335    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2185    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    2.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    4.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
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  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,181)
4181

>  <Formula> (4,181)
C8H6N2O

>  <MolWeight> (4,181)
146.14604

>  <Item Name> (4,181)
4-Hydroxyquinazoline

>  <Catalog Number> (4,181)
S9360

>  <Form> (4,181)
free base

>  <CAS Number> (4,181)
491-36-1

$$$$
S9361 Coumarin-3-carboxylic acid.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4354    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302    0.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2233    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    0.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8471    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595    2.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0519    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    2.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595    4.1796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,182)
4182

>  <Formula> (4,182)
C10H6O4

>  <MolWeight> (4,182)
190.15224

>  <Item Name> (4,182)
Coumarin-3-carboxylic acid

>  <Catalog Number> (4,182)
S9361

>  <Form> (4,182)
free base

>  <CAS Number> (4,182)
531-81-7

$$$$
S9362 1-Naphthaleneacetic acid.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,183)
4183

>  <Formula> (4,183)
C12H10O2

>  <MolWeight> (4,183)
186.2066

>  <Item Name> (4,183)
1-Naphthaleneacetic acid

>  <Catalog Number> (4,183)
S9362

>  <Form> (4,183)
free base

>  <CAS Number> (4,183)
86-87-3

$$$$
S9364 6-Hydroxycoumarin.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.6342    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6342    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    2.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0569    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0569    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2684    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (4,184)
4184

>  <Formula> (4,184)
C9H6O3

>  <MolWeight> (4,184)
162.14214

>  <Item Name> (4,184)
6-Hydroxycoumarin

>  <Catalog Number> (4,184)
S9364

>  <Form> (4,184)
free base

>  <CAS Number> (4,184)
6093-68-1

$$$$
S9365 Disodium uridine-5'-monophosphate.cdx
csChFnd80/10101813032D

 23 22  0  0  0  0  0  0  0  0999 V2000
    7.7058    2.5118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0242    2.9829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6067    3.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3246    1.1608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1115    2.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2897    4.3404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4830    2.4830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9308    1.1420    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1770    0.0502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4278    2.5527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8686    0.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5968    4.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    2.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1209    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6672    3.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8525    4.2810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9825    4.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5259    4.7060    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.1926    5.1331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1021    3.3829    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9563    6.0494    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3844    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.0804    6.0619    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,185)
4185

>  <Formula> (4,185)
C9H11N2Na2O9P

>  <MolWeight> (4,185)
368.144941

>  <Item Name> (4,185)
Disodium uridine-5'-monophosphate

>  <Catalog Number> (4,185)
S9365

>  <Form> (4,185)
free base

>  <CAS Number> (4,185)
3387-36-8

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/10101813032D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.8569    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5248    2.4646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0904    1.1338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9118    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6905    1.1359    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8660    0.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2597    2.4679    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3936    3.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9288    2.9024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6636    2.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0982    4.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018    6.6614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5018    6.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    5.4459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4981    4.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2488    2.3174    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.8885    3.6702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8960    1.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6017    2.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6092    0.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 12 18  2  0  0  0  0
  9 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,186)
4186

>  <Formula> (4,186)
C10H14N5O7P

>  <MolWeight> (4,186)
347.221221

>  <Item Name> (4,186)
5'-Adenylic acid

>  <Catalog Number> (4,186)
S9366

>  <Form> (4,186)
free base

>  <CAS Number> (4,186)
61-19-8

$$$$
S9367 Adenosine disodium triphosphate.cdx
csChFnd80/10101813032D

 33 33  0  0  0  0  0  0  0  0999 V2000
   13.3160    5.3591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4577    4.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9894    4.9117    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.7338    6.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5811    5.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6195    3.1582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8477    5.7219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5716    3.5755    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.1337    6.7109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8663    4.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9048    2.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7243    4.8865    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1717    3.5599    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4071    2.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0282    3.4385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9898    5.6645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3881    5.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3100    4.4112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9975    4.8984    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.5103    3.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6850    5.3855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4846    6.2109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1301    3.3515    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.3644    1.9712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8957    4.7317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7498    3.1171    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2863    1.0781    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.1794    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3932    2.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2082    0.1851    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2306    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.4390    3.2306    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.3615    2.4182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 13 33  1  6  0  0  0
M  END
>  <Mol_ID> (4,187)
4187

>  <Formula> (4,187)
C10H14N5Na2O13P3

>  <MolWeight> (4,187)
551.144683

>  <Item Name> (4,187)
Adenosine disodium triphosphate

>  <Catalog Number> (4,187)
S9367

>  <CAS Number> (4,187)
34369-07-8

$$$$
S9368 ADP.cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.0319    2.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1371    2.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6899    2.4662    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4842    4.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2860    2.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2414    0.6074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5773    3.3387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8779    4.1580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5466    2.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6893    3.0362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  1  0  0  0
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  3  8  1  0  0  0  0
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  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
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M  END
>  <Mol_ID> (4,188)
4188

>  <Formula> (4,188)
C10H15N5O10P2

>  <MolWeight> (4,188)
427.201122

>  <Item Name> (4,188)
ADP

>  <Catalog Number> (4,188)
S9368

>  <Form> (4,188)
free base

>  <CAS Number> (4,188)
58-64-0

$$$$
S9369 Xanthosine Dihydrate.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.5383    3.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6938    4.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156    4.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3798    1.9412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0230    3.6770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2611    5.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8513    5.4710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1288    3.5857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0895    1.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1427    4.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4582    2.3468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9702    2.2177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6326    1.2160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6019    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875    1.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6433    3.1554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  6  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
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 16 19  1  1  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,189)
4189

>  <Formula> (4,189)
C10H12N4O6

>  <MolWeight> (4,189)
284.22548

>  <Item Name> (4,189)
Xanthosine

>  <Catalog Number> (4,189)
S9369

>  <Form> (4,189)
free base

>  <CAS Number> (4,189)
146-80-5

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,190)
4190

>  <Formula> (4,190)
C8H8O3

>  <MolWeight> (4,190)
152.14732

>  <Item Name> (4,190)
2',5'-Dihydroxyacetophenone

>  <Catalog Number> (4,190)
S9374

>  <CAS Number> (4,190)
490-78-8

$$$$
S9378 4',5-Dihydroxyflavone.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,191)
4191

>  <Formula> (4,191)
C15H10O4

>  <MolWeight> (4,191)
254.2375

>  <Item Name> (4,191)
4',5-Dihydroxyflavone

>  <Catalog Number> (4,191)
S9378

>  <Form> (4,191)
free base

>  <CAS Number> (4,191)
6665-67-4

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/10101813032D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4329    2.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6508    2.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2146    2.7692    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4329    0.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    4.1553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8656    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    4.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329    4.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8861    4.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8656    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6508    1.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6508    5.6205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  1 19  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  1  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (4,192)
4192

>  <Formula> (4,192)
C15H24N2O2

>  <MolWeight> (4,192)
264.36326

>  <Item Name> (4,192)
Sophocarpine Monohydrate

>  <Catalog Number> (4,192)
S9384

>  <Form> (4,192)
free base

>  <CAS Number> (4,192)
 145572-44-7

$$$$
S9385 Ligustilide.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4307    3.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    1.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    3.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    3.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    1.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    1.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5412    2.5159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2139    4.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2139    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5878    5.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0379    6.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4118    6.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,193)
4193

>  <Formula> (4,193)
C12H14O2

>  <MolWeight> (4,193)
190.23836

>  <Item Name> (4,193)
Ligustilide

>  <Catalog Number> (4,193)
S9385

>  <CAS Number> (4,193)
4431-01-0

$$$$
S9386 Polygalacic acid.cdx
csChFnd80/10101813032D

 38 42  0  0  0  0  0  0  0  0999 V2000
   10.2098    9.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2200    9.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7150    8.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4988    7.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5059    6.4201    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7291    5.7201    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9453    6.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9382    7.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6697    3.6273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6697    2.2273    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8715    1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0806    2.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341    0.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2232    2.2414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 22338-71-2

$$$$
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19908-48-6

$$$$
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S9388

>  <Form> (4,196)
free base

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73069-27-9

$$$$
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csChFnd80/10101813032D

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17673-25-5

$$$$
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M  END
>  <Mol_ID> (4,198)
4198

>  <Formula> (4,198)
C24H26O7

>  <MolWeight> (4,198)
426.45904

>  <Item Name> (4,198)
Praeruptorin B

>  <Catalog Number> (4,198)
S9392

>  <CAS Number> (4,198)
81740-07-0

$$$$
S9393 (4S)-4-Hydroxy-L-isoleucine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,199)
4199

>  <Formula> (4,199)
C6H13NO3

>  <MolWeight> (4,199)
147.17232

>  <Item Name> (4,199)
(4S)-4-Hydroxy-L-isoleucine

>  <Catalog Number> (4,199)
S9393

>  <Form> (4,199)
free base

>  <CAS Number> (4,199)
55399-93-4

$$$$
S9394 Jatrorrhizine hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,200)
4200

>  <Formula> (4,200)
C20H20ClNO4

>  <MolWeight> (4,200)
373.8301

>  <Item Name> (4,200)
Jatrorrhizine hydrochloride

>  <Catalog Number> (4,200)
S9394

>  <Form> (4,200)
free base

>  <CAS Number> (4,200)
960383-96-4

$$$$
S9395 N-Benzoyl-(2R,3S)-3-phenylisoserine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,201)
4201

>  <Formula> (4,201)
C16H15NO4

>  <MolWeight> (4,201)
285.2946

>  <Item Name> (4,201)
N-Benzoyl-(2R,3S)-3-phenylisoserine

>  <Catalog Number> (4,201)
S9395

>  <Form> (4,201)
free base

>  <CAS Number> (4,201)
132201-33-3

$$$$
S9396 Geraniin.cdx
csChFnd80/10101813032D

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4202

>  <Formula> (4,202)
C41H28O27

>  <MolWeight> (4,202)
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>  <Item Name> (4,202)
Geraniin

>  <Catalog Number> (4,202)
S9396

>  <Form> (4,202)
free base

>  <CAS Number> (4,202)
60976-49-0

$$$$
S9397 Alliin.cdx
csChFnd80/10101813032D

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M  END
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Alliin

>  <Catalog Number> (4,203)
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>  <CAS Number> (4,203)
556-27-4

$$$$
S9398 Crassicauline A.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,204)
4204

>  <Formula> (4,204)
C35H49NO10

>  <MolWeight> (4,204)
643.76426

>  <Item Name> (4,204)
Crassicauline A

>  <Catalog Number> (4,204)
S9398

>  <Form> (4,204)
free base

>  <CAS Number> (4,204)
79592-91-9

$$$$
S9399 1,2,3,4,6-O-Pentagalloylglucose.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,205)
4205

>  <Formula> (4,205)
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>  <MolWeight> (4,205)
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>  <Item Name> (4,205)
1,2,3,4,6-O-Pentagalloylglucose

>  <Catalog Number> (4,205)
S9399

>  <Form> (4,205)
free base

>  <CAS Number> (4,205)
14937-32-7

$$$$
S9400 Rhynchophylline.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,206)
4206

>  <Formula> (4,206)
C22H28N2O4

>  <MolWeight> (4,206)
384.46872

>  <Item Name> (4,206)
Rhynchophylline

>  <Catalog Number> (4,206)
S9400

>  <Form> (4,206)
free base

>  <CAS Number> (4,206)
76-66-4

$$$$
S9401 3,6'-Disinapoyl sucrose.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,207)
4207

>  <Formula> (4,207)
C34H42O19

>  <MolWeight> (4,207)
754.68588

>  <Item Name> (4,207)
 3,6'-Disinapoyl sucrose

>  <Catalog Number> (4,207)
S9401

>  <Form> (4,207)
free base

>  <CAS Number> (4,207)
139891-98-8

$$$$
S9402 (20R)-Protopanaxdiol.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,208)
4208

>  <Formula> (4,208)
C30H52O3

>  <MolWeight> (4,208)
460.73208

>  <Item Name> (4,208)
(20R)-Protopanaxdiol

>  <Catalog Number> (4,208)
S9402

>  <Form> (4,208)
free base

>  <CAS Number> (4,208)
7755-01-3

$$$$
S9403 Ecliptasaponin A.cdx
csChFnd80/10101813032D

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115909-22-3

$$$$
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28282-25-9

$$$$
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500-64-1

$$$$
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73069-28-0

$$$$
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csChFnd80/10101813032D

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free base

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4090-18-0

$$$$
S9421 Demethylnobiletin.cdx
csChFnd80/10101813032D

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S9421

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free base

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2174-59-6

$$$$
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csChFnd80/10101813032D

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free base

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20086-06-0

$$$$
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604-80-8

$$$$
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free base

>  <CAS Number> (4,229)
5088-90-4

$$$$
S9425 Trifolirhizin.cdx
csChFnd80/10101813032D

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free base

>  <CAS Number> (4,230)
6807-83-6

$$$$
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$$$$
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6192-62-7

$$$$
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>  <Mol_ID> (4,236)
4236

>  <Formula> (4,236)
C22H34O3

>  <MolWeight> (4,236)
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>  <Item Name> (4,236)
Ginkgolic Acid

>  <Catalog Number> (4,236)
S9432

>  <Form> (4,236)
free base

>  <CAS Number> (4,236)
22910-60-7

$$$$
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csChFnd80/10101813032D

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>  <Formula> (4,237)
C63H98O30

>  <MolWeight> (4,237)
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>  <Item Name> (4,237)
Tubeimoside II

>  <Catalog Number> (4,237)
S9433

>  <Form> (4,237)
free base

>  <CAS Number> (4,237)
115810-12-3

$$$$
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23513-08-8

$$$$
S9435 Secoxyloganin.cdx
csChFnd80/10101813032D

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Secoxyloganin

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S9435

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free base

>  <CAS Number> (4,239)
58822-47-2

$$$$
S9436 Pinoresinol dimethyl ether.cdx
csChFnd80/10101813032D

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C22H26O6

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S9436

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free base

>  <CAS Number> (4,240)
29106-36-3

$$$$
S9437 Echinatin.cdx
csChFnd80/10101813032D

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Echinatin

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S9437

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free base

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34221-41-5

$$$$
S9438 Isosakuranetin.cdx
csChFnd80/10101813032D

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S9438

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free base

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480-43-3

$$$$
S9439 Kaurenoic acid.cdx
csChFnd80/10101813032D

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4243

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C20H30O2

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Kaurenoic acid

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S9439

>  <CAS Number> (4,243)
6730-83-2

$$$$
S9440 Naringenin chalcone.cdx
csChFnd80/10101813032D

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 Tomatine

>  <Catalog Number> (4,248)
S9444

>  <Form> (4,248)
free base

>  <CAS Number> (4,248)
17406-45-0

$$$$
S9445 Ginkgolic Acid (C130).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,249)
4249

>  <Formula> (4,249)
C20H32O3

>  <MolWeight> (4,249)
320.46628

>  <Item Name> (4,249)
Ginkgolic Acid (C130)

>  <Catalog Number> (4,249)
S9445

>  <Form> (4,249)
free base

>  <CAS Number> (4,249)
20261-38-5

$$$$
S9446 Dihydrokavain.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,250)
4250

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C14H16O3

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>  <Item Name> (4,250)
Dihydrokavain

>  <Catalog Number> (4,250)
S9446

>  <Form> (4,250)
free base

>  <CAS Number> (4,250)
587-63-3

$$$$
S9447 1F-Fructofuranosylnystose.cdx
csChFnd80/10101813032D

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   14.6128    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6236    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8199    2.1093    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.0377    1.4187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  7  6  1  6  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  1  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
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 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  6  0  0  0
 13 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  6  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
 13 33  1  0  0  0  0
 33 34  1  6  0  0  0
 10 35  1  0  0  0  0
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 36 37  1  6  0  0  0
 37 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  1  0  0  0
 39 41  1  0  0  0  0
 10 41  1  0  0  0  0
 41 42  1  6  0  0  0
  7 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  6  0  0  0
 45 46  1  0  0  0  0
 44 47  1  0  0  0  0
 47 48  1  1  0  0  0
 47 49  1  0  0  0  0
  7 49  1  0  0  0  0
 49 50  1  6  0  0  0
  5 51  1  0  0  0  0
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 53 54  1  6  0  0  0
 53 55  1  0  0  0  0
  3 55  1  0  0  0  0
 55 56  1  1  0  0  0
M  END
>  <Mol_ID> (4,251)
4251

>  <Formula> (4,251)
C30H52O26

>  <MolWeight> (4,251)
828.71828

>  <Item Name> (4,251)
1F-Fructofuranosylnystose

>  <Catalog Number> (4,251)
S9447

>  <Form> (4,251)
free base

>  <CAS Number> (4,251)
59432-60-9

$$$$
S9000 7,8-Dihydroxy-4-methylcoumarin.cdx
csChFnd80/10101813032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,252)
4252

>  <Formula> (4,252)
C10H8O4

>  <MolWeight> (4,252)
192.16812

>  <Item Name> (4,252)
7,8-Dihydroxy-4-methylcoumarin

>  <Catalog Number> (4,252)
S9000

>  <Form> (4,252)
free base

>  <CAS Number> (4,252)
2107-77-9

$$$$
S9001 Malic acid.cdx
csChFnd80/10101813032D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4002    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    1.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,253)
4253

>  <Formula> (4,253)
C4H6O5

>  <MolWeight> (4,253)
134.08744

>  <Item Name> (4,253)
Malic acid

>  <Catalog Number> (4,253)
S9001

>  <Form> (4,253)
free base

>  <CAS Number> (4,253)
6915-15-7

$$$$
S9002 L-Fucose.cdx
csChFnd80/10101813032D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.6377    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8519    2.1017    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4268    2.1017    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6377    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0661    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8519    3.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4268    3.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2674    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0661    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  6  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,254)
4254

>  <Formula> (4,254)
C6H12O5

>  <MolWeight> (4,254)
164.15648

>  <Item Name> (4,254)
L-Fucose

>  <Catalog Number> (4,254)
S9002

>  <Form> (4,254)
free base

>  <CAS Number> (4,254)
2438-80-4

$$$$
S9003 (R)-(-)-Mandelic acid.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    2.8008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4253    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    4.2008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    2.8016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    0.7012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005    0.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,255)
4255

>  <Formula> (4,255)
C8H8O3

>  <MolWeight> (4,255)
152.14732

>  <Item Name> (4,255)
(R)-(-)-Mandelic acid

>  <Catalog Number> (4,255)
S9003

>  <Form> (4,255)
free base

>  <CAS Number> (4,255)
611-71-2

$$$$
S9006 Perillartine.cdx
csChFnd80/10101813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,256)
4256

>  <Formula> (4,256)
C10H15NO

>  <MolWeight> (4,256)
165.2322

>  <Item Name> (4,256)
Perillartine

>  <Catalog Number> (4,256)
S9006

>  <Form> (4,256)
free base

>  <CAS Number> (4,256)
30950-27-7

$$$$
S9007 2'-Deoxyguanosine monohydrate.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.7229    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8689    1.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7361    2.2150    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4046    1.7821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9723    0.4505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5818    2.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4043    4.0473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7357    3.6148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714    5.3787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7941    6.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9709    7.6439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6396    7.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    7.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    9.3106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    7.2104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277    5.1106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6399    5.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 12 19  2  0  0  0  0
  9 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,257)
4257

>  <Formula> (4,257)
C10H13N5O4

>  <MolWeight> (4,257)
267.24132

>  <Item Name> (4,257)
2'-Deoxyguanosine

>  <Catalog Number> (4,257)
S9007

>  <Form> (4,257)
free base

>  <CAS Number> (4,257)
961-07-9

$$$$
S9011 Hederacoside D.cdx
csChFnd80/10101813032D

 78 86  0  0  0  0  0  0  0  0999 V2000
    6.0609    3.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    2.0998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2762    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4916    2.0998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4916    3.4921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2762    4.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6915    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8989    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8989    3.4921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6915    4.1921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1143    4.1921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1143    5.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8989    6.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6915    5.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3142    3.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5294    4.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5294    5.5766    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3142    6.2764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8457    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5763    0.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4916    4.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8989    4.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7447    4.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1143    2.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9762    0.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7447    6.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7447    7.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5294    8.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3142    7.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6915    2.7921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4916    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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760961-03-3

$$$$
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>  <CAS Number> (4,259)
26833-87-4

$$$$
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50816-24-5

$$$$
S9028 Cimifugin.cdx
csChFnd80/10101813032D

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S9028

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free base

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37921-38-3

$$$$
S9029 Prim-o-glucosylcimifugin.cdx
csChFnd80/10101813032D

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Prim-o-glucosylcimifugin

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S9029

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free base

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80681-45-4

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/10101813032D

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>  <Formula> (4,267)
C38H46O8

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>  <Item Name> (4,267)
Gambogenic acid

>  <Catalog Number> (4,267)
S9031

>  <Form> (4,267)
free base

>  <CAS Number> (4,267)
173932-75-7

$$$$
>  <Mol_ID> (4,268)
4268

>  <Item Name> (4,268)
Incensole acetate

>  <Catalog Number> (4,268)
S9033

>  <Form> (4,268)
free base

>  <CAS Number> (4,268)
34701-53-6

$$$$
S9034 Isochlorogenic acid C.cdx
csChFnd80/10101813032D

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S9051

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free base

>  <CAS Number> (4,276)
14259-45-1

$$$$
S9052 Auraptene.cdx
csChFnd80/10101813032D

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Auraptene

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S9052

>  <Form> (4,277)
free base

>  <CAS Number> (4,277)
495-02-3

$$$$
S9053 Irisflorentin.cdx
csChFnd80/10101813032D

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C20H18O8

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>  <Item Name> (4,278)
Irisflorentin

>  <Catalog Number> (4,278)
S9053

>  <Form> (4,278)
free base

>  <CAS Number> (4,278)
41743-73-1

$$$$
S9054 Pectolinarin.cdx
csChFnd80/10101813032D

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Pectolinarin

>  <Catalog Number> (4,279)
S9054

>  <Form> (4,279)
free base

>  <CAS Number> (4,279)
28978-02-1

$$$$
S9055 Salvianolic acid A.cdx
csChFnd80/10101813032D

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4280

>  <Formula> (4,280)
C26H22O10

>  <MolWeight> (4,280)
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>  <Item Name> (4,280)
Salvianolic acid A

>  <Catalog Number> (4,280)
S9055

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96574-01-5

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3952-98-5

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38950-94-6

$$$$
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13133-07-8

$$$$
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78281-02-4

$$$$
S9062 4-Hydroxyisoleucine.cdx
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781658-23-9

$$$$
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M  END
>  <Mol_ID> (4,292)
4292

>  <Formula> (4,292)
C51H82O21

>  <MolWeight> (4,292)
1031.18418

>  <Item Name> (4,292)
Pseudoprotodioscin

>  <Catalog Number> (4,292)
S9067

>  <Form> (4,292)
free base

>  <CAS Number> (4,292)
102115-79-7

$$$$
S9068 Trillin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,293)
4293

>  <Formula> (4,293)
C33H52O8

>  <MolWeight> (4,293)
576.76118

>  <Item Name> (4,293)
Trillin

>  <Catalog Number> (4,293)
S9068

>  <Form> (4,293)
free base

>  <CAS Number> (4,293)
14144-06-0

$$$$
S9069 Jatrorrhizine chloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,294)
4294

>  <Formula> (4,294)
C20H20ClNO4

>  <MolWeight> (4,294)
373.8301

>  <Item Name> (4,294)
Jatrorrhizine chloride

>  <Catalog Number> (4,294)
S9069

>  <CAS Number> (4,294)
6681-15-8

$$$$
S9070 Isoxanthohumol.cdx
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M  END
>  <Mol_ID> (4,305)
4305

>  <Formula> (4,305)
C21H20O6

>  <MolWeight> (4,305)
368.3799

>  <Item Name> (4,305)
Anhydroicaritin

>  <Catalog Number> (4,305)
S9080

>  <Form> (4,305)
free base

>  <CAS Number> (4,305)
118525-40-9

$$$$
S9081 Anemoside B4.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,306)
4306

>  <Formula> (4,306)
C59H96O26

>  <MolWeight> (4,306)
1221.37794

>  <Item Name> (4,306)
Anemoside B4

>  <Catalog Number> (4,306)
S9081

>  <CAS Number> (4,306)
129741-57-7

$$$$
S9082 Manninotriose.cdx
csChFnd80/10101813032D

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20633-67-4

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30220-46-3

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$$$$
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51059-44-0

$$$$
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csChFnd80/10101813032D

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51415-02-2

$$$$
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>  <Form> (4,342)
free base

>  <CAS Number> (4,342)
52286-74-5

$$$$
S9118 Beta-Asarone.cdx
csChFnd80/10101813032D

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S9120 Scutellarein.cdx
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S9122 Tectorigenin.cdx
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S9123 Eriodictyol.cdx
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65995-63-3

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S9132

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free base

>  <CAS Number> (4,356)
6926-08-5

$$$$
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csChFnd80/10101813032D

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70831-56-0

$$$$
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72063-39-9

$$$$
S9135 Artemisic acid.cdx
csChFnd80/10101813032D

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Artemisic acid

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S9135

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free base

>  <CAS Number> (4,359)
80286-58-4

$$$$
S9136 Neochlorogenic acid.cdx
csChFnd80/10101813032D

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S9136

>  <Form> (4,360)
free base

>  <CAS Number> (4,360)
906-33-2

$$$$
S9137 Erianin.cdx
csChFnd80/10101813032D

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Erianin

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S9137

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free base

>  <CAS Number> (4,361)
95041-90-0

$$$$
S9138 Picfeltarraenin IA.cdx
csChFnd80/10101813032D

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>  <CAS Number> (4,367)
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$$$$
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free base

>  <CAS Number> (4,376)
13159-28-9

$$$$
S9154 Chelidonine.cdx
csChFnd80/10101813032D

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free base

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476-32-4

$$$$
S9155 Aurantio-obtusin.cdx
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>  <Formula> (4,378)
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>  <MolWeight> (4,378)
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>  <Item Name> (4,378)
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>  <Catalog Number> (4,378)
S9155

>  <Form> (4,378)
free base

>  <CAS Number> (4,378)
67979-25-3

$$$$
S9156 Chonglou Saponin VII.cdx
csChFnd80/10101813032D

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$$$$
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>  <CAS Number> (4,391)
514-39-6

$$$$
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S9169

>  <Form> (4,392)
free base

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882664-74-6

$$$$
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csChFnd80/10101813032D

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free base

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572-31-6

$$$$
S9171 Harpagoside.cdx
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csChFnd80/10101813032D

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free base

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6873-13-8

$$$$
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csChFnd80/10101813032D

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free base

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80681-44-3

$$$$
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csChFnd80/10101813032D

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S9174

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free base

>  <CAS Number> (4,397)
2009-24-7

$$$$
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csChFnd80/10101813032D

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$$$$
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7431-77-8

$$$$
S9179 Catharanthine hemitartrate.cdx
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free base

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4168-17-6

$$$$
S9180 Tussilagone.cdx
csChFnd80/10101813032D

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free base

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$$$$
S9181 Periplocin.cdx
csChFnd80/10101813032D

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4407

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C34H44O19

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Forsythoside B

>  <Catalog Number> (4,407)
S9184

>  <Form> (4,407)
free base

>  <CAS Number> (4,407)
81525-13-5

$$$$
S9185 Nitidine Chloride.cdx
csChFnd80/10101813032D

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4408

>  <Formula> (4,408)
C21H18ClNO4

>  <MolWeight> (4,408)
383.82492

>  <Item Name> (4,408)
Nitidine Chloride

>  <Catalog Number> (4,408)
S9185

>  <Form> (4,408)
free base

>  <CAS Number> (4,408)
13063-04-2

$$$$
S9186 Liensinine perchlorate.cdx
csChFnd80/10101813032D

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4409

>  <Formula> (4,409)
C37H43ClN2O10

>  <MolWeight> (4,409)
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>  <Item Name> (4,409)
Liensinine perchlorate

>  <Catalog Number> (4,409)
S9186

>  <Form> (4,409)
free base

>  <CAS Number> (4,409)
2385-63-9

$$$$
S9187 Phillygenin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,410)
4410

>  <Formula> (4,410)
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>  <Form> (4,410)
free base

>  <CAS Number> (4,410)
487-39-8

$$$$
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csChFnd80/10101813032D

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Magnoflorinechloride

>  <Catalog Number> (4,411)
S9188

>  <Form> (4,411)
free base

>  <CAS Number> (4,411)
6681-18-1

$$$$
S9189 Oroxin A.cdx
csChFnd80/10101813032D

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>  <Formula> (4,412)
C21H20O10

>  <MolWeight> (4,412)
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>  <Item Name> (4,412)
Oroxin A

>  <Catalog Number> (4,412)
S9189

>  <Form> (4,412)
free base

>  <CAS Number> (4,412)
57396-78-8

$$$$
S9190 Oroxin B.cdx
csChFnd80/10101813032D

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>  <Formula> (4,413)
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>  <MolWeight> (4,413)
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Oroxin B

>  <Catalog Number> (4,413)
S9190

>  <Form> (4,413)
free base

>  <CAS Number> (4,413)
114482-86-9

$$$$
S9191 Loganic acid.cdx
csChFnd80/10101813032D

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>  <Formula> (4,414)
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>  <Item Name> (4,414)
Loganic acid

>  <Catalog Number> (4,414)
S9191

>  <Form> (4,414)
free base

>  <CAS Number> (4,414)
22255-40-9

$$$$
S9192 Vitexin.cdx
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free base

>  <CAS Number> (4,421)
135575-42-7

$$$$
S9202 Hydroxysafflor yellow A.cdx
csChFnd80/10101813032D

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>  <Formula> (4,422)
C27H32O16

>  <MolWeight> (4,422)
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>  <Item Name> (4,422)
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>  <Catalog Number> (4,422)
S9202

>  <Form> (4,422)
free base

>  <CAS Number> (4,422)
146087-19-6

$$$$
S9203 Notopterol.cdx
csChFnd80/10101813032D

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S9203

>  <Form> (4,423)
free base

>  <CAS Number> (4,423)
88206-46-6

$$$$
S9204 Oroxylin A.cdx
csChFnd80/10101813032D

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>  <MolWeight> (4,424)
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>  <Item Name> (4,424)
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>  <Catalog Number> (4,424)
S9204

>  <Form> (4,424)
free base

>  <CAS Number> (4,424)
480-11-5

$$$$
S9205 Hydroxygenkwanin.cdx
csChFnd80/10101813032D

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68406-26-8

$$$$
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csChFnd80/10101813032D

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555-45-3

$$$$
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$$$$
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>  <Form> (4,433)
free base

>  <CAS Number> (4,433)
55466-04-1

$$$$
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free base

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55466-05-2

$$$$
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 11  1  1  0  0  0  0
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 13  5  1  0  0  0  0
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 23  6  1  0  0  0  0
 21  6  1  0  0  0  0
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 14  7  1  0  0  0  0
 20  8  1  0  0  0  0
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 22  9  1  0  0  0  0
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M  END
>  <Mol_ID> (4,438)
4438

>  <Formula> (4,438)
C31H48O7

>  <MolWeight> (4,438)
532.70862

>  <Item Name> (4,438)
Phytolaccagenin

>  <Catalog Number> (4,438)
S9218

>  <Form> (4,438)
free base

>  <CAS Number> (4,438)
1802-12-6

$$$$
S9219 Huperzine B.cdx
csChFnd80/10101813032D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,439)
4439

>  <Formula> (4,439)
C16H20N2O

>  <MolWeight> (4,439)
256.3428

>  <Item Name> (4,439)
Huperzine B

>  <Catalog Number> (4,439)
S9219

>  <Form> (4,439)
free base

>  <CAS Number> (4,439)
103548-82-9

$$$$
S9220 Stylopine hydrochloride.cdx
csChFnd80/10101813032D

 26 30  0  0  0  0  0  0  0  0999 V2000
   10.7605    2.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,440)
4440

>  <Formula> (4,440)
C19H18ClNO4

>  <MolWeight> (4,440)
359.80352

>  <Item Name> (4,440)
Stylopine hydrochloride

>  <Catalog Number> (4,440)
S9220

>  <Form> (4,440)
free base

>  <CAS Number> (4,440)
96087-21-7

$$$$
S9221 Ferulaldehyde.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,441)
4441

>  <Formula> (4,441)
C10H10O3

>  <MolWeight> (4,441)
178.1846

>  <Item Name> (4,441)
Ferulaldehyde

>  <Catalog Number> (4,441)
S9221

>  <Form> (4,441)
free base

>  <CAS Number> (4,441)
458-36-6

$$$$
S9222 Dipotassium glycyrrhizinate.cdx
csChFnd80/10101813032D

 65 69  0  0  0  0  0  0  0  0999 V2000
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68797-35-3

$$$$
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csChFnd80/10101813032D

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20501-56-8

$$$$
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786593-06-4

$$$$
S9225 Santalol.cdx
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4457

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>  <MolWeight> (4,457)
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Berberrubine

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S9237

>  <Form> (4,457)
free base

>  <CAS Number> (4,457)
15401-69-1

$$$$
S9238 Polygalic acid.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,458)
4458

>  <Formula> (4,458)
C29H44O6

>  <MolWeight> (4,458)
488.65606

>  <Item Name> (4,458)
Polygalic acid

>  <Catalog Number> (4,458)
S9238

>  <Form> (4,458)
free base

>  <CAS Number> (4,458)
1260-04-4

$$$$
S9239 Isocorynoxeine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,459)
4459

>  <Formula> (4,459)
C22H26N2O4

>  <MolWeight> (4,459)
382.45284

>  <Item Name> (4,459)
Isocorynoxeine

>  <Catalog Number> (4,459)
S9239

>  <Form> (4,459)
free base

>  <CAS Number> (4,459)
51014-29-0

$$$$
S9240 Isofraxidin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,460)
4460

>  <Formula> (4,460)
C11H10O5

>  <MolWeight> (4,460)
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>  <Item Name> (4,460)
Isofraxidin

>  <Catalog Number> (4,460)
S9240

>  <Form> (4,460)
free base

>  <CAS Number> (4,460)
486-21-5

$$$$
S9241 Polygalaxanthone III.cdx
csChFnd80/10101813032D

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>  <Formula> (4,461)
C25H28O15

>  <MolWeight> (4,461)
568.48082

>  <Item Name> (4,461)
Polygalaxanthone III

>  <Catalog Number> (4,461)
S9241

>  <Form> (4,461)
free base

>  <CAS Number> (4,461)
162857-78-5

$$$$
S9242 Narirutin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,462)
4462

>  <Formula> (4,462)
C27H32O14

>  <MolWeight> (4,462)
580.53458

>  <Item Name> (4,462)
Narirutin

>  <Catalog Number> (4,462)
S9242

>  <Form> (4,462)
free base

>  <CAS Number> (4,462)
14259-46-2

$$$$
S9243 Protosappanin B.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,463)
4463

>  <Formula> (4,463)
C16H16O6

>  <MolWeight> (4,463)
304.29464

>  <Item Name> (4,463)
Protosappanin B

>  <Catalog Number> (4,463)
S9243

>  <CAS Number> (4,463)
102036-29-3

$$$$
S9244 8-O-acetyl shanzhiside methyl ester.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,464)
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>  <Formula> (4,464)
C19H28O12

>  <MolWeight> (4,464)
448.41842

>  <Item Name> (4,464)
8-O-acetyl shanzhiside methyl ester

>  <Catalog Number> (4,464)
S9244

>  <Form> (4,464)
free base

>  <CAS Number> (4,464)
57420-46-9

$$$$
S9245 Phellodendrine chloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,465)
4465

>  <Formula> (4,465)
C20H24ClNO4

>  <MolWeight> (4,465)
377.86186

>  <Item Name> (4,465)
Phellodendrine chloride

>  <Catalog Number> (4,465)
S9245

>  <Form> (4,465)
free base

>  <CAS Number> (4,465)
104112-82-5

$$$$
S9246 Tiliroside.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,466)
4466

>  <Formula> (4,466)
C30H26O13

>  <MolWeight> (4,466)
594.51964

>  <Item Name> (4,466)
Tiliroside

>  <Catalog Number> (4,466)
S9246

>  <Form> (4,466)
free base

>  <CAS Number> (4,466)
20316-62-5

$$$$
S9247 Isoliensinine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,467)
4467

>  <Formula> (4,467)
C37H42N2O6

>  <MolWeight> (4,467)
610.73918

>  <Item Name> (4,467)
Isoliensinine

>  <Catalog Number> (4,467)
S9247

>  <Form> (4,467)
free base

>  <CAS Number> (4,467)
6817-41-0

$$$$
S9248 Homoorientin.cdx
csChFnd80/10101813032D

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28831-65-4

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495-31-8

$$$$
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6066-49-5

$$$$
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5928-25-6

$$$$
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$$$$
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>  <Item Name> (4,485)
Ginsenoside Rc

>  <Catalog Number> (4,485)
S9266

>  <Form> (4,485)
free base

>  <CAS Number> (4,485)
11021-14-0

$$$$
S9267 Epimedin A.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,486)
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>  <Formula> (4,486)
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>  <MolWeight> (4,486)
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>  <Item Name> (4,486)
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>  <Catalog Number> (4,486)
S9267

>  <CAS Number> (4,486)
110623-72-8

$$$$
S9268 Epmedin B.cdx
csChFnd80/10101813032D

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>  <Formula> (4,487)
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>  <MolWeight> (4,487)
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>  <Item Name> (4,487)
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>  <Catalog Number> (4,487)
S9268

>  <Form> (4,487)
free base

>  <CAS Number> (4,487)
110623-73-9

$$$$
S9269 Epmedin C.cdx
csChFnd80/10101813032D

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>  <Formula> (4,488)
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>  <MolWeight> (4,488)
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>  <Item Name> (4,488)
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>  <Form> (4,488)
free base

>  <CAS Number> (4,488)
110642-44-9

$$$$
S9270 Dracohodin perochlorate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,489)
4489

>  <Formula> (4,489)
C17H15ClO7

>  <MolWeight> (4,489)
366.7498

>  <Item Name> (4,489)
Dracohodin perochlorate

>  <Catalog Number> (4,489)
S9270

>  <Form> (4,489)
free base

>  <CAS Number> (4,489)
125536-25-6

$$$$
S9271 Pulchinenoside A.cdx
csChFnd80/10101813032D

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1358-76-5

$$$$
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$$$$
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    5.9161    3.5037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7659    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9718    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1864    2.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3988    1.3963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9718    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  1  6  1  0  0  0  0
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  1  7  1  6  0  0  0
  5 10  1  1  0  0  0
  1 11  1  1  0  0  0
 13 14  1  0  0  0  0
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 17 18  1  0  0  0  0
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 15 17  1  0  0  0  0
 12 13  1  0  0  0  0
  4 12  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
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 30 31  1  0  0  0  0
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 30 35  2  0  0  0  0
 33 36  1  0  0  0  0
 32 37  1  0  0  0  0
 28 30  1  0  0  0  0
 25 26  1  0  0  0  0
  3 25  1  6  0  0  0
M  END
>  <Mol_ID> (4,493)
4493

>  <Formula> (4,493)
C25H24O12

>  <MolWeight> (4,493)
516.45086

>  <Item Name> (4,493)
Isochlorogenic acid B

>  <Catalog Number> (4,493)
S9274

>  <Form> (4,493)
free base

>  <CAS Number> (4,493)
14534-61-3

$$$$
S9275 Isoguanosine.cdx
csChFnd80/10101813032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6385    5.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701    5.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385    7.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.9603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7930    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4244    7.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757    2.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7082    3.4744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.9731    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8562    1.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  6  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (4,494)
4494

>  <Formula> (4,494)
C10H13N5O5

>  <MolWeight> (4,494)
283.24072

>  <Item Name> (4,494)
Isoguanosine

>  <Catalog Number> (4,494)
S9275

>  <Form> (4,494)
free base

>  <CAS Number> (4,494)
1818-71-9

$$$$
S9276 Alisol B.cdx
csChFnd80/10101813032D

 37 41  0  0  0  0  0  0  0  0999 V2000
    7.3050    5.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0725    3.3469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3050    4.0383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.8584    7.5555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6861    6.7739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9637    6.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    4.0383    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6126    5.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6526    3.3469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0725    6.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    5.4363    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6526    1.9190    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3484    6.5184    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6126    3.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0725    1.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4395    4.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0335    7.2098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4500    4.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3863    7.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4651    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8699    1.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5049    4.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8699    2.7307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7651    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1559    8.0697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3316    6.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  8  1  2  0  0  0  0
 10  1  1  0  0  0  0
  2  3  1  0  0  0  0
 15  2  1  0  0  0  0
  2 24  1  6  0  0  0
  7  2  1  0  0  0  0
 14  3  1  0  0  0  0
  3 27  1  1  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  5  1  0  0  0  0
 28  6  1  0  0  0  0
  7 11  1  0  0  0  0
  9  7  1  0  0  0  0
  7 33  1  1  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
 12  9  1  0  0  0  0
 18  9  1  0  0  0  0
  9 30  1  1  0  0  0
 11 10  1  0  0  0  0
 11 26  1  1  0  0  0
 20 12  1  0  0  0  0
 12 32  1  6  0  0  0
 12 21  1  0  0  0  0
 13 19  1  0  0  0  0
 13 29  1  1  0  0  0
 16 14  1  0  0  0  0
 21 15  1  0  0  0  0
 19 17  1  0  0  0  0
 17 31  1  6  0  0  0
 25 18  1  0  0  0  0
 22 20  1  0  0  0  0
 22 25  1  0  0  0  0
 23 22  2  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
  5 36  1  6  0  0  0
  6 37  1  0  0  0  0
M  END
>  <Mol_ID> (4,495)
4495

>  <Formula> (4,495)
C30H48O4

>  <MolWeight> (4,495)
472.69972

>  <Item Name> (4,495)
Alisol B

>  <Catalog Number> (4,495)
S9276

>  <Form> (4,495)
free base

>  <CAS Number> (4,495)
18649-93-9

$$$$
S9277 Alisol A.cdx
csChFnd80/10101813032D

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.3046    5.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    3.3742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3046    4.0562    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6433    3.3742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8637    4.0742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6866    5.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6433    1.9563    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4229    1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841    6.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8637    5.5099    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0841    1.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6686    3.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    4.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2024    1.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4403    4.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2250    7.1611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8325    6.3714    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8637    1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4504    6.2098    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6069    7.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6940    5.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2024    3.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6791    6.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3046    2.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3529    7.6457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1556    3.9664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7768    0.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3815    8.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9144    5.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8637    2.6922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6613    0.5924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6839    4.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  6  1  2  0  0  0  0
  9  1  1  0  0  0  0
  2  3  1  0  0  0  0
 11  2  1  0  0  0  0
  2 24  1  6  0  0  0
  5  2  1  0  0  0  0
 12  3  1  0  0  0  0
  3 27  1  1  0  0  0
  4  5  1  0  0  0  0
  7  4  1  0  0  0  0
 13  4  1  0  0  0  0
  4 25  1  1  0  0  0
  5 10  1  0  0  0  0
  5 35  1  1  0  0  0
 15  6  1  0  0  0  0
 16  6  1  0  0  0  0
  8  7  1  0  0  0  0
  7 36  1  6  0  0  0
  7 18  1  0  0  0  0
 31  8  1  0  0  0  0
 32  8  1  0  0  0  0
  8 14  1  0  0  0  0
 10  9  1  0  0  0  0
 10 26  1  1  0  0  0
 18 11  1  0  0  0  0
 15 12  1  0  0  0  0
 22 13  1  0  0  0  0
 14 22  1  0  0  0  0
 23 14  2  0  0  0  0
 20 16  1  0  0  0  0
 16 33  1  6  0  0  0
 17 19  1  0  0  0  0
 21 17  1  0  0  0  0
 17 28  1  1  0  0  0
 19 20  1  0  0  0  0
 19 29  1  1  0  0  0
 30 21  1  0  0  0  0
 34 21  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
>  <Mol_ID> (4,496)
4496

>  <Formula> (4,496)
C30H50O5

>  <MolWeight> (4,496)
490.715

>  <Item Name> (4,496)
Alisol A

>  <Catalog Number> (4,496)
S9277

>  <Form> (4,496)
free base

>  <CAS Number> (4,496)
19885-10-0

$$$$
S9278 Saikosaponin C.cdx
csChFnd80/10101813032D

 68 76  0  0  0  0  0  0  0  0999 V2000
   10.8957    3.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8957    2.0967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1130    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    2.0967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3304    3.4967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1130    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5342    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7516    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7516    3.4967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5342    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9690    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9690    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7516    6.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5342    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1661    3.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3835    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3835    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1661    6.2967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6783    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,497)
4497

>  <Formula> (4,497)
C48H78O17

>  <MolWeight> (4,497)
927.12272

>  <Item Name> (4,497)
Saikosaponin C

>  <Catalog Number> (4,497)
S9278

>  <Form> (4,497)
free base

>  <CAS Number> (4,497)
20736-08-7

$$$$
S9279 Euphorbia factor L3.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,498)
4498

>  <Formula> (4,498)
C31H38O7

>  <MolWeight> (4,498)
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>  <Item Name> (4,498)
Euphorbia factor L3

>  <Catalog Number> (4,498)
S9279

>  <Form> (4,498)
free base

>  <CAS Number> (4,498)
218916-52-0

$$$$
S9280 Demethoxycurcumin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,499)
4499

>  <Formula> (4,499)
C20H18O5

>  <MolWeight> (4,499)
338.35392

>  <Item Name> (4,499)
Demethoxycurcumin

>  <Catalog Number> (4,499)
S9280

>  <Form> (4,499)
free base

>  <CAS Number> (4,499)
22608-11-3

$$$$
S9281 Peimine.cdx
csChFnd80/10101813032D

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M  END
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>  <MolWeight> (4,500)
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>  <Item Name> (4,500)
Peimine

>  <Catalog Number> (4,500)
S9281

>  <Form> (4,500)
free base

>  <CAS Number> (4,500)
23496-41-5

$$$$
S9282 Isochlorogenic acid A.cdx
csChFnd80/10101813032D

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M  END
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4501

>  <Formula> (4,501)
C25H24O12

>  <MolWeight> (4,501)
516.45086

>  <Item Name> (4,501)
Isochlorogenic acid A

>  <Catalog Number> (4,501)
S9282

>  <Form> (4,501)
free base

>  <CAS Number> (4,501)
2450-53-5

$$$$
S9283 Aristolone.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,502)
4502

>  <Formula> (4,502)
C15H22O

>  <MolWeight> (4,502)
218.33458

>  <Item Name> (4,502)
Aristolone

>  <Catalog Number> (4,502)
S9283

>  <Form> (4,502)
free base

>  <CAS Number> (4,502)
25274-27-5

$$$$
S9284 Aloesin.cdx
csChFnd80/10101813032D

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4503

>  <Formula> (4,503)
C19H22O9

>  <MolWeight> (4,503)
394.37258

>  <Item Name> (4,503)
Aloesin

>  <Catalog Number> (4,503)
S9284

>  <Form> (4,503)
free base

>  <CAS Number> (4,503)
30861-27-9

$$$$
S9285 Fargesin.cdx
csChFnd80/10101813032D

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M  END
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>  <Formula> (4,518)
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>  <Item Name> (4,518)
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>  <Catalog Number> (4,518)
S9299

>  <Form> (4,518)
free base

>  <CAS Number> (4,518)
53963-43-2

$$$$
S9300 Methylprotodioscin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,519)
4519

>  <Formula> (4,519)
C52H86O22

>  <MolWeight> (4,519)
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>  <Item Name> (4,519)
Methylprotodioscin

>  <Catalog Number> (4,519)
S9300

>  <Form> (4,519)
free base

>  <CAS Number> (4,519)
54522-52-0

$$$$
S9301 Verbenalin.cdx
csChFnd80/10101813032D

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548-37-8

$$$$
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>  <Formula> (4,521)
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>  <MolWeight> (4,521)
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>  <Item Name> (4,521)
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>  <Catalog Number> (4,521)
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>  <Form> (4,521)
free base

>  <CAS Number> (4,521)
55916-51-3

$$$$
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csChFnd80/10101813032D

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>  <Formula> (4,522)
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>  <MolWeight> (4,522)
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>  <Form> (4,522)
free base

>  <CAS Number> (4,522)
58316-41-9

$$$$
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M  END
>  <Mol_ID> (4,525)
4525

>  <Formula> (4,525)
C22H26N2O4

>  <MolWeight> (4,525)
382.45284

>  <Item Name> (4,525)
Corynoxeine

>  <Catalog Number> (4,525)
S9306

>  <Form> (4,525)
free base

>  <CAS Number> (4,525)
630-94-4

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,526)
4526

>  <Formula> (4,526)
C17H26O11

>  <MolWeight> (4,526)
406.38174

>  <Item Name> (4,526)
Shanzhiside methyl ester

>  <Catalog Number> (4,526)
S9307

>  <Form> (4,526)
free base

>  <CAS Number> (4,526)
64421-28-9

$$$$
S9308 Pulsatilla saponin D.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,527)
4527

>  <Formula> (4,527)
C47H76O17

>  <MolWeight> (4,527)
913.09614

>  <Item Name> (4,527)
Pulsatilla saponin D

>  <Catalog Number> (4,527)
S9308

>  <Form> (4,527)
free base

>  <CAS Number> (4,527)
68027-15-6

$$$$
S9309 Micheliolide.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,528)
4528

>  <Formula> (4,528)
C15H20O3

>  <MolWeight> (4,528)
248.3175

>  <Item Name> (4,528)
Micheliolide

>  <Catalog Number> (4,528)
S9309

>  <Form> (4,528)
free base

>  <CAS Number> (4,528)
68370-47-8

$$$$
S9310 Isorhychophylline.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,529)
4529

>  <Formula> (4,529)
C22H28N2O4

>  <MolWeight> (4,529)
384.46872

>  <Item Name> (4,529)
Isorhychophylline

>  <Catalog Number> (4,529)
S9310

>  <Form> (4,529)
free base

>  <CAS Number> (4,529)
6859-01-4

$$$$
S9311 Germacrone.cdx
csChFnd80/10101813032D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,530)
4530

>  <Formula> (4,530)
C15H22O

>  <MolWeight> (4,530)
218.33458

>  <Item Name> (4,530)
Germacrone

>  <Catalog Number> (4,530)
S9311

>  <Form> (4,530)
free base

>  <CAS Number> (4,530)
6902-91-6

$$$$
S9312 Cyanidin-3-O-glucoside chloride.cdx
csChFnd80/10101813032D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,531)
4531

>  <Formula> (4,531)
C21H21ClO11

>  <MolWeight> (4,531)
484.83784

>  <Item Name> (4,531)
Cyanidin-3-O-glucoside chloride

>  <Catalog Number> (4,531)
S9312

>  <Form> (4,531)
free base

>  <CAS Number> (4,531)
7084-24-4

$$$$
S9313 Atractylenolide III.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (4,532)
4532

>  <Formula> (4,532)
C15H20O3

>  <MolWeight> (4,532)
248.3175

>  <Item Name> (4,532)
Atractylenolide III

>  <Catalog Number> (4,532)
S9313

>  <Form> (4,532)
free base

>  <CAS Number> (4,532)
73030-71-4

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (4,533)
4533

>  <Formula> (4,533)
C15H20O2

>  <MolWeight> (4,533)
232.3181

>  <Item Name> (4,533)
Atractylenolide II

>  <Catalog Number> (4,533)
S9314

>  <Form> (4,533)
free base

>  <CAS Number> (4,533)
73069-14-4

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/10101813032D

 28 30  0  0  0  0  0  0  0  0999 V2000
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$$$$
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76296-72-5

$$$$
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>  <MolWeight> (4,541)
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>  <Catalog Number> (4,541)
S9322

>  <Form> (4,541)
free base

>  <CAS Number> (4,541)
38665-01-9

$$$$
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csChFnd80/10101813032D

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>  <Mol_ID> (4,542)
4542

>  <Formula> (4,542)
C30H26O13

>  <MolWeight> (4,542)
594.51964

>  <Item Name> (4,542)
Procyanidin

>  <Catalog Number> (4,542)
S9323

>  <Form> (4,542)
free base

>  <CAS Number> (4,542)
4852-22-6

$$$$
S9324 Alnustone.cdx
csChFnd80/10101813032D

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>  <Formula> (4,543)
C19H18O

>  <MolWeight> (4,543)
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>  <Item Name> (4,543)
Alnustone

>  <Catalog Number> (4,543)
S9324

>  <Form> (4,543)
free base

>  <CAS Number> (4,543)
33457-62-4

$$$$
S9326 Scopolamine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,544)
4544

>  <Formula> (4,544)
C17H21NO4

>  <MolWeight> (4,544)
303.35294

>  <Item Name> (4,544)
Scopolamine

>  <Catalog Number> (4,544)
S9326

>  <Form> (4,544)
free base

>  <CAS Number> (4,544)
51-34-3

$$$$
P1017 Octreotide Acetate.cdx
csChFnd80/10101813032D

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79517-01-4

$$$$
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csChFnd80/10101813032D

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http://selleckchem.com/products/.html

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941685-27-4

$$$$
S5371 Ajmaline.cdx
csChFnd80/10101813032D

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free base

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4360-12-7

$$$$
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csChFnd80/10101813032D

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free base

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79416-27-6 

$$$$
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csChFnd80/10101813032D

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 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
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 14  3  1  0  0  0  0
  4  7  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
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 18 10  1  0  0  0  0
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 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,549)
4549

>  <Formula> (4,549)
C20H21N3O

>  <MolWeight> (4,549)
319.40024

>  <Item Name> (4,549)
Imidafenacin

>  <Catalog Number> (4,549)
S5385

>  <Target> (4,549)
mAChR

>  <Form> (4,549)
free base

>  <URL> (4,549)
http://selleckchem.com/products/.html

>  <CAS Number> (4,549)
170105-16-5 

$$$$
S5399 Chlorprothixene hydrochloride.cdx
csChFnd80/10101813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 20  1  0  0  0  0
 10 21  1  0  0  0  0
  3  7  2  0  0  0  0
M  END
>  <Mol_ID> (4,550)
4550

>  <Formula> (4,550)
C18H19Cl2NS

>  <MolWeight> (4,550)
352.32116

>  <Item Name> (4,550)
Chlorprothixene hydrochloride

>  <Catalog Number> (4,550)
S5399

>  <Target> (4,550)
AmpC Beta-Lactamase

>  <Form> (4,550)
free base

>  <URL> (4,550)
http://selleckchem.com/products/.html

>  <CAS Number> (4,550)
6469-93-8

$$$$
S5400 3-chloro-5-hydroxybenzoic Acid.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
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  5  3  2  0  0  0  0
  6  4  1  0  0  0  0
 10  5  1  0  0  0  0
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 11  6  1  0  0  0  0
M  END
>  <Mol_ID> (4,551)
4551

>  <Formula> (4,551)
C7H5ClO3

>  <MolWeight> (4,551)
172.5658

>  <Item Name> (4,551)
3-chloro-5-hydroxybenzoic Acid

>  <Catalog Number> (4,551)
S5400

>  <Target> (4,551)
FKSG80

>  <Form> (4,551)
free base

>  <URL> (4,551)
http://selleckchem.com/products/.html

>  <CAS Number> (4,551)
53984-36-4

$$$$
S5418 Parecoxib Sodium.cdx
csChFnd80/10101813032D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  3  7  1  0  0  0  0
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 11  7  2  0  0  0  0
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 21 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,552)
4552

>  <Formula> (4,552)
C19H17N2NaO4S

>  <MolWeight> (4,552)
392.40405

>  <Item Name> (4,552)
Parecoxib Sodium

>  <Catalog Number> (4,552)
S5418

>  <Target> (4,552)
calcium channel

>  <Form> (4,552)
free base

>  <URL> (4,552)
http://selleckchem.com/products/.html

>  <CAS Number> (4,552)
198470-85-8

$$$$
S5531 Doripenem.cdx
csChFnd80/10101813032D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    6.2576    3.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6652    2.1842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
  2 28  1  6  0  0  0
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  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
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  5 10  1  0  0  0  0
  5 29  1  1  0  0  0
  6 11  1  1  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
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 24 26  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (4,553)
4553

>  <Formula> (4,553)
C15H24N4O6S2

>  <MolWeight> (4,553)
420.50426

>  <Item Name> (4,553)
Doripenem

>  <Catalog Number> (4,553)
S5531

>  <Target> (4,553)
Bacterial

>  <Form> (4,553)
free base

>  <URL> (4,553)
http://selleckchem.com/products/.html

>  <CAS Number> (4,553)
148016-81-3

$$$$
S5533 Tobramycin sulfate.cdx
csChFnd80/10101813032D

 93 92  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (4,554)
C36H84N10O38S5

>  <MolWeight> (4,554)
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>  <Item Name> (4,554)
Tobramycin sulfate

>  <Catalog Number> (4,554)
S5533

>  <Form> (4,554)
free base

>  <CAS Number> (4,554)
79645-27-5

$$$$
S5581 Olmesartan.cdx
csChFnd80/10101813032D

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446.50164

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Olmesartan

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S5581

>  <Target> (4,555)
Angiotensin Receptor

>  <Form> (4,555)
free base

>  <URL> (4,555)
http://selleckchem.com/products/.html

>  <CAS Number> (4,555)
144689-24-7

$$$$
S5591 Ectoine.cdx
csChFnd80/10101813032D

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4556

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>  <Item Name> (4,556)
Ectoine

>  <Catalog Number> (4,556)
S5591

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free base

>  <CAS Number> (4,556)
96702-03-3

$$$$
S5592 Vitamin A.cdx
csChFnd80/10101813032D

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    0.3525    3.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    3.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0880    4.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9431    4.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  1 10  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 18  1  0  0  0  0
 12 19  1  0  0  0  0
  9 11  1  0  0  0  0
  7 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (4,557)
4557

>  <Formula> (4,557)
C20H30O

>  <MolWeight> (4,557)
286.4516

>  <Item Name> (4,557)
Vitamin A

>  <Catalog Number> (4,557)
S5592

>  <Target> (4,557)
Others

>  <Form> (4,557)
free base

>  <URL> (4,557)
http://selleckchem.com/products/.html

>  <CAS Number> (4,557)
68-26-8

$$$$
S5238 Solifenacin.cdx
csChFnd80/10101813032D

 27 31  0  0  0  0  0  0  0  0999 V2000
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    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2756    3.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8508    3.9900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7632    3.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5508    2.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  2 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
  1 14  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 13  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (4,558)
4558

>  <Formula> (4,558)
C23H26N2O2

>  <MolWeight> (4,558)
362.46474

>  <Item Name> (4,558)
Solifenacin

>  <Catalog Number> (4,558)
S5238

>  <Form> (4,558)
free base

>  <CAS Number> (4,558)
242478-37-1

$$$$
S5278 Tedizolid.cdx
csChFnd80/10101813032D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    0.8229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7431    0.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5660    1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431    2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    2.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9660    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6660    0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0660    0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7660    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1660    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8660    0.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2660    0.3105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9660    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1889    2.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7660    3.9478    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  5  8  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 13  8  2  0  0  0  0
 11 14  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
 19 14  2  0  0  0  0
 17 20  1  0  0  0  0
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 23 24  2  0  0  0  0
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 14 15  1  0  0  0  0
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 13 12  1  0  0  0  0
 10 11  1  0  0  0  0
  9  8  1  0  0  0  0
  6 25  2  0  0  0  0
 22 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
>  <Mol_ID> (4,559)
4559

>  <Formula> (4,559)
C17H15FN6O3

>  <MolWeight> (4,559)
370.3378032

>  <Item Name> (4,559)
Tedizolid

>  <Catalog Number> (4,559)
S5278

>  <Target> (4,559)
Bacterial

>  <URL> (4,559)
http://selleckchem.com/products/.html

>  <CAS Number> (4,559)
856866-72-3

$$$$
S5370 10-Hydroxydecanoic acid.cdx
csChFnd80/10101813032D

 13 12  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
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  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (4,560)
4560

>  <Formula> (4,560)
C10H20O3

>  <MolWeight> (4,560)
188.264

>  <Item Name> (4,560)
10-Hydroxydecanoic acid

>  <Catalog Number> (4,560)
S5370

>  <Target> (4,560)
Others

>  <Form> (4,560)
free base

>  <URL> (4,560)
http://selleckchem.com/products/.html

>  <CAS Number> (4,560)
1679-53-4

$$$$
S5386 7-Dehydrocholesterol.cdx
csChFnd80/10101813032D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.3074    2.8167    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0864    2.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3195    4.2189    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6250    2.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8836    2.8350    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0864    0.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6433    4.6360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0864    4.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4288    3.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6567    2.1458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8836    4.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0499    4.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8709    1.3944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
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  6 12  1  0  0  0  0
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  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
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 13 16  1  0  0  0  0
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 16 20  1  0  0  0  0
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 22 24  1  0  0  0  0
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  7 31  1  6  0  0  0
M  END
>  <Mol_ID> (4,561)
4561

>  <Formula> (4,561)
C27H44O

>  <MolWeight> (4,561)
384.63766

>  <Item Name> (4,561)
7-Dehydrocholesterol

>  <Catalog Number> (4,561)
S5386

>  <Form> (4,561)
free base

>  <CAS Number> (4,561)
434-16-2

$$$$
S5532 Erythromycin estolate.cdx
csChFnd80/10101813032D

 72 73  0  0  0  0  0  0  0  0999 V2000
    9.8170    6.4624    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.0260    5.7565    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.2424    7.8591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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>  <MolWeight> (4,562)
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>  <Item Name> (4,562)
Erythromycin estolate

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S5532

>  <Target> (4,562)
ABCB11

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free base

>  <URL> (4,562)
http://selleckchem.com/products/.html

>  <CAS Number> (4,562)
3521-62-8

$$$$
S5535 Moxifloxacin.cdx
csChFnd80/10101813032D

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 Moxifloxacin

>  <Catalog Number> (4,563)
S5535

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free base

>  <CAS Number> (4,563)
151096-09-2

$$$$
S5548 7-Hydroxy-4-chromone.cdx
csChFnd80/10101813032D

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S5548

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Src

>  <Form> (4,564)
free base

>  <URL> (4,564)
http://selleckchem.com/products/.html

>  <CAS Number> (4,564)
59887-89-7

$$$$
S5564 Xylazine.cdx
csChFnd80/10101813032D

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4565

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>  <MolWeight> (4,565)
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Xylazine

>  <Catalog Number> (4,565)
S5564

>  <Target> (4,565)
Adrenergic Receptor

>  <Form> (4,565)
free base

>  <URL> (4,565)
http://selleckchem.com/products/.html

>  <CAS Number> (4,565)
7361-61-7

$$$$
S5568 Tocofersolan.cdx
csChFnd80/10101813032D

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n
M  END
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9002-96-4

$$$$
S5616 4-Methylcatechol.cdx
csChFnd80/10101813032D

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452-86-8

$$$$
S5627 Amsacrine hydrochloride.cdx
csChFnd80/10101813032D

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free base

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54301-15-4

$$$$
S5701 Alvimopan dihydrate.cdx
csChFnd80/10101813032D

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free base

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170098-38-1 

$$$$
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csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,570)
4570

>  <Formula> (4,570)
C38H54N2O10S2

>  <MolWeight> (4,570)
762.97276

>  <Item Name> (4,570)
Valbenazine tosylate

>  <Catalog Number> (4,570)
S9500

>  <Form> (4,570)
free base

>  <CAS Number> (4,570)
1639208-54-0

$$$$
S5054 Rifamycin sodium salt.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,571)
4571

>  <Formula> (4,571)
C37H46NNaO12

>  <MolWeight> (4,571)
719.75041

>  <Item Name> (4,571)
Rifamycin sodium salt

>  <Catalog Number> (4,571)
S5054

>  <Target> (4,571)
Others

>  <URL> (4,571)
http://selleckchem.com/products/.html

>  <CAS Number> (4,571)
14897-39-3

$$$$
S5221 Diludine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,572)
4572

>  <Formula> (4,572)
C13H19NO4

>  <MolWeight> (4,572)
253.29426

>  <Item Name> (4,572)
Diludine

>  <Catalog Number> (4,572)
S5221

>  <Target> (4,572)
Others

>  <URL> (4,572)
http://selleckchem.com/products/.html

>  <CAS Number> (4,572)
1149-23-1

$$$$
S5391 ¦Á-Boswellic acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,573)
4573

>  <Formula> (4,573)
C30H48O3

>  <MolWeight> (4,573)
456.70032

>  <Item Name> (4,573)
¦Á-Boswellic acid

>  <Catalog Number> (4,573)
S5391

>  <Target> (4,573)
Others

>  <Form> (4,573)
free base

>  <URL> (4,573)
http://selleckchem.com/products/.html

>  <CAS Number> (4,573)
471-66-9 

$$$$
S5392 Mepivacaine.cdx
csChFnd80/10101813032D

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>  <Formula> (4,574)
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Sodium Channel

>  <Form> (4,574)
free base

>  <URL> (4,574)
http://selleckchem.com/products/.html

>  <CAS Number> (4,574)
96-88-8 

$$$$
S5491 Lomefloxacin.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,575)
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>  <Formula> (4,575)
C17H19F2N3O3

>  <MolWeight> (4,575)
351.3478664

>  <Item Name> (4,575)
Lomefloxacin

>  <Catalog Number> (4,575)
S5491

>  <Target> (4,575)
Bacterial

>  <Form> (4,575)
free base

>  <URL> (4,575)
http://selleckchem.com/products/.html

>  <CAS Number> (4,575)
98079-51-7

$$$$
S5505 2'-deoxyuridine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,576)
4576

>  <Formula> (4,576)
C9H12N2O5

>  <MolWeight> (4,576)
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>  <Item Name> (4,576)
2'-deoxyuridine

>  <Catalog Number> (4,576)
S5505

>  <Target> (4,576)
kinase

>  <URL> (4,576)
http://selleckchem.com/products/.html

>  <CAS Number> (4,576)
951-78-0

$$$$
S5507 Trimebutine maleate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,577)
4577

>  <Formula> (4,577)
C26H33NO9

>  <MolWeight> (4,577)
503.54152

>  <Item Name> (4,577)
Trimebutine maleate

>  <Catalog Number> (4,577)
S5507

>  <Target> (4,577)
Lamin A Splicing

>  <URL> (4,577)
http://selleckchem.com/products/.html

>  <CAS Number> (4,577)
34140-59-5

$$$$
S5539 Olprinone.cdx
csChFnd80/10101813032D

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>  <Formula> (4,578)
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>  <MolWeight> (4,578)
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>  <Item Name> (4,578)
Olprinone

>  <Catalog Number> (4,578)
S5539

>  <Target> (4,578)
Phosphodiesterase (PDE)

>  <Form> (4,578)
free base

>  <URL> (4,578)
http://selleckchem.com/products/.html

>  <CAS Number> (4,578)
106730-54-5

$$$$
S5640 Ethyl caffeate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,579)
4579

>  <Formula> (4,579)
C11H12O4

>  <MolWeight> (4,579)
208.21058

>  <Item Name> (4,579)
Ethyl caffeate

>  <Catalog Number> (4,579)
S5640

>  <Target> (4,579)
Cox-2, iNOS, NOS II, and PGE2

>  <URL> (4,579)
http://selleckchem.com/products/.html

>  <CAS Number> (4,579)
102-37-4

$$$$
S5700 Phthalylsulfathiazole.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,580)
4580

>  <Formula> (4,580)
C17H13N3O5S2

>  <MolWeight> (4,580)
403.43222

>  <Item Name> (4,580)
Phthalylsulfathiazole

>  <Catalog Number> (4,580)
S5700

>  <Target> (4,580)
Bacterial

>  <Form> (4,580)
free base

>  <URL> (4,580)
http://selleckchem.com/products/.html

>  <CAS Number> (4,580)
85-73-4

$$$$
S5703 Carvedilol Phosphate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,581)
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>  <Formula> (4,581)
C24H29N2O8PR

>  <MolWeight> (4,581)
504.469421

>  <Item Name> (4,581)
Carvedilol Phosphate

>  <Catalog Number> (4,581)
S5703

>  <Target> (4,581)
Others

>  <Form> (4,581)
free base

>  <URL> (4,581)
http://selleckchem.com/products/.html

>  <CAS Number> (4,581)
610309-89-2 

$$$$
S9501 Pedunculoside.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,582)
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>  <Formula> (4,582)
C36H58O10

>  <MolWeight> (4,582)
650.83972

>  <Item Name> (4,582)
Pedunculoside

>  <Catalog Number> (4,582)
S9501

>  <Form> (4,582)
free base

>  <CAS Number> (4,582)
42719-32-4

$$$$
ÐÂ½¨ CS ChemDraw Drawing.cdx
csChFnd80/10101813032D

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Carperitide Acetate

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P1087

>  <Target> (4,583)
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free base

>  <URL> (4,583)
http://selleckchem.com/products/.html

>  <CAS Number> (4,583)
89213-87-6

$$$$
S5280 Dimemorfan phosphate.cdx
csChFnd80/10101813032D

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>  <Formula> (4,584)
C18H28NO4P

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Dimemorfan phosphate

>  <Catalog Number> (4,584)
S5280

>  <Target> (4,584)
ER-alpha

>  <URL> (4,584)
http://selleckchem.com/products/.html

>  <CAS Number> (4,584)
36304-84-4

$$$$
S5287 Tiletamine Hydrochloride.cdx
csChFnd80/10101813032D

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4585

>  <Formula> (4,585)
C12H18ClNOS

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Tiletamine Hydrochloride

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S5287

>  <Target> (4,585)
ER-alpha

>  <URL> (4,585)
http://selleckchem.com/products/.html

>  <CAS Number> (4,585)
14176-50-2

$$$$
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csChFnd80/10101813032D

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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (4,586)
4586

>  <Formula> (4,586)
C22H32N2O5S

>  <MolWeight> (4,586)
436.56488

>  <Item Name> (4,586)
Estropipate

>  <Catalog Number> (4,586)
S5288

>  <Target> (4,586)
Estrogen Receptor/ERR

>  <URL> (4,586)
http://selleckchem.com/products/.html

>  <CAS Number> (4,586)
7280-37-7

$$$$
S5303 N-Acetyl-DL-phenylalanine.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    2.4243    3.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    2.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    4.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    4.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    3.5005    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0628    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    3.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    2.1005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0616    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0610    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (4,587)
4587

>  <Formula> (4,587)
C11H13NO3

>  <MolWeight> (4,587)
207.22582

>  <Item Name> (4,587)
N-Acetyl-DL-phenylalanine

>  <Catalog Number> (4,587)
S5303

>  <Synonyms> (4,587)
"2-acetamido-3-phenylpropanoic acid
Ac-DL-Phe-OH
N-acetylphenylalanine
N-acetylphenylalanine, (D)-

>  <Target> (4,587)
Others

>  <URL> (4,587)
http://selleckchem.com/products/.html

>  <CAS Number> (4,587)
2901-75-9

$$$$
S5395 Phenolphthalein.cdx
csChFnd80/10101813032D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.7582    5.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300    5.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1817    3.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9707    4.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5820    6.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4278    6.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325    4.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9817    2.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7892    3.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1809    5.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9708    2.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7590    7.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    7.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0128    5.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130    1.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    2.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3929    4.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1810    2.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1945    8.7057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0205    1.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3889    2.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4448    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6013    2.2819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 19  2  0  0  0  0
 13 20  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (4,588)
4588

>  <Formula> (4,588)
C20H14O4

>  <MolWeight> (4,588)
318.32276

>  <Item Name> (4,588)
Phenolphthalein

>  <Catalog Number> (4,588)
S5395

>  <Target> (4,588)
Fluorescent Dyes/Probes

>  <Form> (4,588)
free base

>  <URL> (4,588)
http://selleckchem.com/products/.html

>  <CAS Number> (4,588)
77-09-8

$$$$
S5396 4'-Hydroxypropiophenone.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,589)
4589

>  <Formula> (4,589)
C9H10O2

>  <MolWeight> (4,589)
150.1745

>  <Item Name> (4,589)
4'-Hydroxypropiophenone

>  <Catalog Number> (4,589)
S5396

>  <Target> (4,589)
APE1

>  <Form> (4,589)
free base

>  <URL> (4,589)
http://selleckchem.com/products/.html

>  <CAS Number> (4,589)
70-70-2 

$$$$
S5397 Chlorhexidine.cdx
csChFnd80/10101813032D

 34 35  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (4,590)
4590

>  <Formula> (4,590)
C22H30Cl2N10

>  <MolWeight> (4,590)
505.4466

>  <Item Name> (4,590)
Chlorhexidine

>  <Catalog Number> (4,590)
S5397

>  <Target> (4,590)
Bacterial

>  <Form> (4,590)
free base

>  <URL> (4,590)
http://selleckchem.com/products/.html

>  <CAS Number> (4,590)
55-56-1

$$$$
S5398 Nefazodone hydrochloride.cdx
csChFnd80/10101813032D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.2745    9.4940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4269    8.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510   10.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591   10.1888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7975    7.8171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3905    7.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4923    9.0326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8362   11.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875    5.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8840    9.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6343   10.1784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7118    8.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1034    8.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2094   10.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    8.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9312    7.0791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3673    5.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5867    4.8209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8506    2.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8062    3.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6783    1.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6340    2.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0700    1.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1144    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0684    3.8591    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  5  7  1  0  0  0  0
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  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (4,591)
4591

>  <Formula> (4,591)
C25H33Cl2N5O2

>  <MolWeight> (4,591)
506.46782

>  <Item Name> (4,591)
Nefazodone hydrochloride

>  <Catalog Number> (4,591)
S5398

>  <Target> (4,591)
5-HT Receptor

>  <Form> (4,591)
free base

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35700-23-3

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Autophagy

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free base

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64506-49-6

$$$$
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csChFnd80/10101813032D

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free base

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116714-46-6

$$$$
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csChFnd80/10101813032D

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PPARd

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free base

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http://selleckchem.com/products/.html

>  <CAS Number> (4,600)
62893-20-3

$$$$
S5488 Fluorescein.cdx
csChFnd80/10101813032D

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Fluorescein

>  <Catalog Number> (4,601)
S5488

>  <Target> (4,601)
Fluorescent Dyes/Probes

>  <Form> (4,601)
free base

>  <URL> (4,601)
http://selleckchem.com/products/.html
http://selleckchem.com/products/.html

>  <CAS Number> (4,601)
2321-07-5

$$$$
S5593 5-Carboxy-8-hydroxyquinoline.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,602)
4602

>  <Formula> (4,602)
C10H7NO3

>  <MolWeight> (4,602)
189.16748

>  <Item Name> (4,602)
5-Carboxy-8-hydroxyquinoline

>  <Catalog Number> (4,602)
S5593

>  <Target> (4,602)
KDM6B

>  <Form> (4,602)
free base

>  <URL> (4,602)
http://selleckchem.com/products/.html

>  <CAS Number> (4,602)
5852-78-8

$$$$
S3623 Ceftibuten (dihydrate).cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,603)
4603

>  <Formula> (4,603)
C15H18N4O8S2

>  <MolWeight> (4,603)
446.45542

>  <Item Name> (4,603)
Ceftibuten (dihydrate)

>  <Catalog Number> (4,603)
S3623

>  <Synonyms> (4,603)
Sch-39720 dihydrate

>  <Target> (4,603)
Anti-infection

>  <URL> (4,603)
http://selleckchem.com/products/.html

>  <CAS Number> (4,603)
118081-34-8

$$$$
S5387 D-Tagatose.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,604)
4604

>  <Formula> (4,604)
C6H12O6

>  <MolWeight> (4,604)
180.15588

>  <Item Name> (4,604)
D-Tagatose

>  <Catalog Number> (4,604)
S5387

>  <Target> (4,604)
Others

>  <Form> (4,604)
free base

>  <URL> (4,604)
http://selleckchem.com/products/.html

>  <CAS Number> (4,604)
87-81-0 

$$$$
S5546 Sulfacetamide.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,605)
4605

>  <Formula> (4,605)
C8H10N2O3S

>  <MolWeight> (4,605)
214.2416

>  <Item Name> (4,605)
Sulfacetamide

>  <Catalog Number> (4,605)
S5546

>  <Target> (4,605)
Bacterial

>  <Form> (4,605)
free base

>  <URL> (4,605)
http://selleckchem.com/products/.html

>  <CAS Number> (4,605)
144-80-9

$$$$
S5600 Flavokawain A.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,606)
4606

>  <Formula> (4,606)
C18H18O5

>  <MolWeight> (4,606)
314.33252

>  <Item Name> (4,606)
Flavokawain A

>  <Catalog Number> (4,606)
S5600

>  <Target> (4,606)
ABCG2

>  <Form> (4,606)
free base

>  <URL> (4,606)
http://selleckchem.com/products/.html

>  <CAS Number> (4,606)
3420-72-2

$$$$
S5601 Balofloxacin Dihydrate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,607)
4607

>  <Formula> (4,607)
C20H28FN3O6

>  <MolWeight> (4,607)
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>  <Item Name> (4,607)
Balofloxacin Dihydrate

>  <Catalog Number> (4,607)
S5601

>  <Target> (4,607)
PPARD

>  <Form> (4,607)
free base

>  <URL> (4,607)
http://selleckchem.com/products/.html

>  <CAS Number> (4,607)
151060-21-8

$$$$
S5602 Gallocyanine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,608)
4608

>  <Formula> (4,608)
C15H13ClN2O5

>  <MolWeight> (4,608)
336.72712

>  <Item Name> (4,608)
Gallocyanine

>  <Catalog Number> (4,608)
S5602

>  <Target> (4,608)
Others

>  <Form> (4,608)
free base

>  <URL> (4,608)
http://selleckchem.com/products/.html

>  <CAS Number> (4,608)
1562-85-2

$$$$
S5603 5-Bromocytosine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,609)
4609

>  <Formula> (4,609)
C4H4BrN3O

>  <MolWeight> (4,609)
189.99806

>  <Item Name> (4,609)
5-Bromocytosine

>  <Catalog Number> (4,609)
S5603

>  <Target> (4,609)
XDH

>  <Form> (4,609)
free base

>  <URL> (4,609)
http://selleckchem.com/products/.html

>  <CAS Number> (4,609)
2240-25-7

$$$$
S5605 Tos-Arg-OMe.HCl.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,610)
4610

>  <Formula> (4,610)
C14H23ClN4O4S

>  <MolWeight> (4,610)
378.87482

>  <Item Name> (4,610)
Tos-Arg-OMe.HCl

>  <Catalog Number> (4,610)
S5605

>  <Target> (4,610)
Others

>  <Form> (4,610)
free base

>  <URL> (4,610)
http://selleckchem.com/products/.html

>  <CAS Number> (4,610)
1784-03-8

$$$$
S5606 Sulfamide.cdx
csChFnd80/10101813032D

  5  4  0  0  0  0  0  0  0  0999 V2000
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  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
M  END
>  <Mol_ID> (4,611)
4611

>  <Formula> (4,611)
H4N2O2S

>  <MolWeight> (4,611)
96.10896

>  <Item Name> (4,611)
Sulfamide

>  <Catalog Number> (4,611)
S5606

>  <Target> (4,611)
CA6

>  <Form> (4,611)
free base

>  <URL> (4,611)
http://selleckchem.com/products/.html

>  <CAS Number> (4,611)
7803-58-9

$$$$
S5607 4,4prime-Bis(4-aminophenoxy)biphenyl.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,612)
4612

>  <Formula> (4,612)
C24H20N2O2

>  <MolWeight> (4,612)
368.4278

>  <Item Name> (4,612)
4,4prime-Bis(4-aminophenoxy)biphenyl

>  <Catalog Number> (4,612)
S5607

>  <Target> (4,612)
Others

>  <Form> (4,612)
free base

>  <URL> (4,612)
http://selleckchem.com/products/.html

>  <CAS Number> (4,612)
13080-85-8

$$$$
S5609 Chicago Sky Blue 6B.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,613)
4613

>  <Formula> (4,613)
C34H24N6Na4O16S4

>  <MolWeight> (4,613)
992.80404

>  <Item Name> (4,613)
Chicago Sky Blue 6B

>  <Catalog Number> (4,613)
S5609

>  <Target> (4,613)
Others

>  <Form> (4,613)
free base

>  <URL> (4,613)
http://selleckchem.com/products/.html

>  <CAS Number> (4,613)
2610-05-1

$$$$
S5610 Indole-3-acetamide.cdx
csChFnd80/10101813032D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4293    2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,614)
4614

>  <Formula> (4,614)
C10H10N2O

>  <MolWeight> (4,614)
174.1992

>  <Item Name> (4,614)
Indole-3-acetamide

>  <Catalog Number> (4,614)
S5610

>  <Target> (4,614)
Others

>  <Form> (4,614)
free base

>  <URL> (4,614)
http://selleckchem.com/products/.html

>  <CAS Number> (4,614)
879-37-8

$$$$
S5706 Edetate Trisodium.cdx
csChFnd80/10101813032D

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    0.0000    4.1043    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,615)
4615

>  <Formula> (4,615)
C10H13N2Na3O8

>  <MolWeight> (4,615)
358.18813

>  <Item Name> (4,615)
Edetate Trisodium

>  <Catalog Number> (4,615)
S5706

>  <Target> (4,615)
Others

>  <Form> (4,615)
free base

>  <URL> (4,615)
http://selleckchem.com/products/.html

>  <CAS Number> (4,615)
150-38-9 

$$$$
S5478 Dantrolene sodium.cdx
csChFnd80/10101813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
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    7.3513    3.6281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2239    5.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540    4.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8664    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2876    4.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5892    5.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    3.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6743    4.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    2.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,616)
4616

>  <Formula> (4,616)
C14H9N4NaO5

>  <MolWeight> (4,616)
336.23483

>  <Item Name> (4,616)
Dantrolene sodium

>  <Catalog Number> (4,616)
S5478

>  <Synonyms> (4,616)
"sodium;3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxo-4H-imidazol-2-olate
DANTROLENE S

>  <Target> (4,616)
calcium channel

>  <Form> (4,616)
free base

>  <URL> (4,616)
http://selleckchem.com/products/.html

>  <CAS Number> (4,616)
14663-23-1

$$$$
S5503 O-Acetyl-L-carnitine hydrochloride.cdx
csChFnd80/10101813032D

 15 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,617)
4617

>  <Formula> (4,617)
C9H18ClNO4

>  <MolWeight> (4,617)
239.69652

>  <Item Name> (4,617)
O-Acetyl-L-carnitine hydrochloride

>  <Catalog Number> (4,617)
S5503

>  <Target> (4,617)
Others

>  <URL> (4,617)
http://selleckchem.com/products/.html

>  <CAS Number> (4,617)
5080-50-2

$$$$
S5504 Ropivacaine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,618)
4618

>  <Formula> (4,618)
C17H26N2O

>  <MolWeight> (4,618)
274.40114

>  <Item Name> (4,618)
Ropivacaine

>  <Catalog Number> (4,618)
S5504

>  <Target> (4,618)
Potassium Channel

>  <URL> (4,618)
http://selleckchem.com/products/.html

>  <CAS Number> (4,618)
84057-95-4

$$$$
S5617 Myristic Acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,619)
4619

>  <Formula> (4,619)
C14H28O2

>  <MolWeight> (4,619)
228.37092

>  <Item Name> (4,619)
Myristic Acid

>  <Catalog Number> (4,619)
S5617

>  <Form> (4,619)
free base

>  <CAS Number> (4,619)
544-63-8

$$$$
S5619 Betahistine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,620)
4620

>  <Formula> (4,620)
C8H12N2

>  <MolWeight> (4,620)
136.19428

>  <Item Name> (4,620)
Betahistine

>  <Catalog Number> (4,620)
S5619

>  <Target> (4,620)
Histamine Receptor

>  <Form> (4,620)
free base

>  <URL> (4,620)
http://selleckchem.com/products/.html

>  <CAS Number> (4,620)
5638-76-6

$$$$
S5637 Cefotiam Hexetil Hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,621)
4621

>  <Formula> (4,621)
C27H39Cl2N9O7S3

>  <MolWeight> (4,621)
768.75566

>  <Item Name> (4,621)
Cefotiam Hexetil Hydrochloride

>  <Catalog Number> (4,621)
S5637

>  <Target> (4,621)
Others

>  <Form> (4,621)
free base

>  <URL> (4,621)
http://selleckchem.com/products/.html

>  <CAS Number> (4,621)
95789-30-3

$$$$
S5638 Cefozopran hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,622)
4622

>  <Formula> (4,622)
C19H18ClN9O5S2

>  <MolWeight> (4,622)
551.98652

>  <Item Name> (4,622)
Cefozopran hydrochloride

>  <Catalog Number> (4,622)
S5638

>  <Target> (4,622)
Others

>  <Form> (4,622)
free base

>  <URL> (4,622)
http://selleckchem.com/products/.html

>  <CAS Number> (4,622)
113981-44-5

$$$$
S5641 Rhodamine B.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,623)
4623

>  <Formula> (4,623)
C28H31ClN2O3

>  <MolWeight> (4,623)
479.01034

>  <Item Name> (4,623)
Rhodamine B

>  <Catalog Number> (4,623)
S5641

>  <Target> (4,623)
Others

>  <URL> (4,623)
http://selleckchem.com/products/.html

>  <CAS Number> (4,623)
81-88-9

$$$$
S5644 Ceftriaxone Sodium.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,624)
4624

>  <Formula> (4,624)
C18H16N8Na2O7S3

>  <MolWeight> (4,624)
598.54358

>  <Item Name> (4,624)
Ceftriaxone Sodium

>  <Catalog Number> (4,624)
S5644

>  <Target> (4,624)
Others

>  <Form> (4,624)
free base

>  <URL> (4,624)
http://selleckchem.com/products/.html

>  <CAS Number> (4,624)
74578-69-1

$$$$
S5650 Sodium Hyaluronate.cdx
csChFnd80/10101813032D

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A   30
n
M  END
>  <Mol_ID> (4,625)
4625

>  <Formula> (4,625)
C14H20NNaO11R

>  <MolWeight> (4,625)
401.29847

>  <Item Name> (4,625)
Sodium Hyaluronate

>  <Catalog Number> (4,625)
S5650

>  <Target> (4,625)
Others

>  <Form> (4,625)
free base

>  <URL> (4,625)
http://selleckchem.com/products/.html

>  <CAS Number> (4,625)
9067-32-7

$$$$
S9046 Berberine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,626)
4626

>  <Formula> (4,626)
C20H18NO4+

>  <MolWeight> (4,626)
336.36122

>  <Item Name> (4,626)
Berberine

>  <Catalog Number> (4,626)
S9046

>  <Form> (4,626)
free base

>  <CAS Number> (4,626)
2086-83-1

$$$$
S9047 Leonurine Hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,627)
4627

>  <Formula> (4,627)
C14H22ClN3O5

>  <MolWeight> (4,627)
347.79458

>  <Item Name> (4,627)
Leonurine Hydrochloride

>  <Catalog Number> (4,627)
S9047

>  <Form> (4,627)
free base

>  <CAS Number> (4,627)
24735-18-0

$$$$
S9027 Corynoxine.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,628)
4628

>  <Formula> (4,628)
C22H28N2O4

>  <MolWeight> (4,628)
384.46872

>  <Item Name> (4,628)
Corynoxine

>  <Catalog Number> (4,628)
S9027

>  <Form> (4,628)
free base

>  <CAS Number> (4,628)
6877-32-3

$$$$
S9037 Tenacissoside H.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,629)
4629

>  <Formula> (4,629)
C42H66O14

>  <MolWeight> (4,629)
794.96504

>  <Item Name> (4,629)
Tenacissoside H

>  <Catalog Number> (4,629)
S9037

>  <Form> (4,629)
free base

>  <CAS Number> (4,629)
191729-45-0

$$$$
S9038 Calycosin.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,630)
4630

>  <Formula> (4,630)
C16H12O5

>  <MolWeight> (4,630)
284.26348

>  <Item Name> (4,630)
Calycosin

>  <Catalog Number> (4,630)
S9038

>  <Form> (4,630)
free base

>  <CAS Number> (4,630)
20575-57-9

$$$$
S9041 Corosolic acid.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,631)
4631

>  <Formula> (4,631)
C30H48O4

>  <MolWeight> (4,631)
472.69972

>  <Item Name> (4,631)
Corosolic acid

>  <Catalog Number> (4,631)
S9041

>  <Form> (4,631)
free base

>  <CAS Number> (4,631)
4547-24-4

$$$$
S5653 Indigo carmine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,632)
4632

>  <Formula> (4,632)
C16H8N2Na2O8S2

>  <MolWeight> (4,632)
466.35286

>  <Item Name> (4,632)
Indigo carmine

>  <Catalog Number> (4,632)
S5653

>  <Target> (4,632)
Others

>  <Form> (4,632)
free base

>  <URL> (4,632)
http://selleckchem.com/products/.html

>  <CAS Number> (4,632)
860-22-0

$$$$
S5704 Myclobutanil.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,633)
4633

>  <Formula> (4,633)
C15H17ClN4

>  <MolWeight> (4,633)
288.77528

>  <Item Name> (4,633)
Myclobutanil

>  <Catalog Number> (4,633)
S5704

>  <Target> (4,633)
Fungal

>  <Form> (4,633)
free base

>  <URL> (4,633)
http://selleckchem.com/products/.html

>  <CAS Number> (4,633)
88671-89-0

$$$$
S5710 Ambroxol.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,634)
4634

>  <Formula> (4,634)
C13H18Br2N2O

>  <MolWeight> (4,634)
378.10282

>  <Item Name> (4,634)
Ambroxol

>  <Catalog Number> (4,634)
S5710

>  <Target> (4,634)
Others

>  <URL> (4,634)
http://selleckchem.com/products/.html

>  <CAS Number> (4,634)
18683-91-5

$$$$
S9024 AKBA.cdx
csChFnd80/10101813032D

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free base

>  <CAS Number> (4,642)
54706-99-9

$$$$
S9009 23-Hydroxybetulinic acid.cdx
csChFnd80/10101813032D

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4643

>  <Formula> (4,643)
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>  <MolWeight> (4,643)
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>  <Item Name> (4,643)
23-Hydroxybetulinic acid

>  <Catalog Number> (4,643)
S9009

>  <Form> (4,643)
free base

>  <CAS Number> (4,643)
85999-40-2

$$$$
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>  <Formula> (4,644)
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>  <MolWeight> (4,644)
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>  <Item Name> (4,644)
Bevirimat

>  <Catalog Number> (4,644)
S9010

>  <Form> (4,644)
free base

>  <CAS Number> (4,644)
174022-42-5

$$$$
S9012 Khasianine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,649)
4649

>  <Formula> (4,649)
C30H46O5

>  <MolWeight> (4,649)
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>  <Item Name> (4,649)
Quillaic acid

>  <Catalog Number> (4,649)
S9019

>  <Form> (4,649)
free base

>  <CAS Number> (4,649)
631-01-6

$$$$
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csChFnd80/10101813032D

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>  <Mol_ID> (4,650)
4650

>  <Formula> (4,650)
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>  <MolWeight> (4,650)
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>  <Item Name> (4,650)
(20R)Ginsenoside Rg3

>  <Catalog Number> (4,650)
S9021

>  <Form> (4,650)
free base

>  <CAS Number> (4,650)
38243-03-7

$$$$
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>  <Mol_ID> (4,651)
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>  <Item Name> (4,651)
20S-Ginsenoside Rg3

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S9022

>  <Form> (4,651)
free base

>  <CAS Number> (4,651)
14197-60-5

$$$$
S9040 Maslinic acid.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,652)
4652

>  <Formula> (4,652)
C30H48O4

>  <MolWeight> (4,652)
472.69972

>  <Item Name> (4,652)
Maslinic acid

>  <Catalog Number> (4,652)
S9040

>  <Form> (4,652)
free base

>  <CAS Number> (4,652)
4373-41-5

$$$$
S5663 Minaprine dihydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,653)
4653

>  <Formula> (4,653)
C17H24Cl2N4O

>  <MolWeight> (4,653)
371.30466

>  <Item Name> (4,653)
Minaprine dihydrochloride

>  <Catalog Number> (4,653)
S5663

>  <Target> (4,653)
Others

>  <Form> (4,653)
free base

>  <URL> (4,653)
http://selleckchem.com/products/.html

>  <CAS Number> (4,653)
25905-77-5

$$$$
S5668 Chlorindione.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,654)
4654

>  <Formula> (4,654)
C15H9ClO2

>  <MolWeight> (4,654)
256.68376

>  <Item Name> (4,654)
Chlorindione

>  <Catalog Number> (4,654)
S5668

>  <Target> (4,654)
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>  <Form> (4,654)
free base

>  <URL> (4,654)
http://selleckchem.com/products/.html

>  <CAS Number> (4,654)
1146-99-2

$$$$
S5625 Ammonium lactate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,655)
4655

>  <Formula> (4,655)
C3H9NO3

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>  <Item Name> (4,655)
Ammonium lactate

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S5625

>  <Target> (4,655)
Nucleoprotein (Rift valley fever virus (STRA

>  <Form> (4,655)
free base

>  <URL> (4,655)
http://selleckchem.com/products/.html

>  <CAS Number> (4,655)
515-98-0

$$$$
S5680 (-)-Verbenone.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,656)
4656

>  <Formula> (4,656)
C10H14O

>  <MolWeight> (4,656)
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>  <Item Name> (4,656)
(-)-Verbenone

>  <Catalog Number> (4,656)
S5680

>  <Target> (4,656)
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>  <Form> (4,656)
free base

>  <URL> (4,656)
http://selleckchem.com/products/.html

>  <CAS Number> (4,656)
1196-01-6

$$$$
S9357 Phenylacetaldehyde.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,657)
4657

>  <Formula> (4,657)
C8H8O

>  <MolWeight> (4,657)
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>  <Item Name> (4,657)
Phenylacetaldehyde

>  <Catalog Number> (4,657)
S9357

>  <Form> (4,657)
free base

>  <CAS Number> (4,657)
122-78-1

$$$$
S5649 Hydroxyzine pamoate.cdx
csChFnd80/10101813032D

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4658

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C44H43ClN2O8

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S5649

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H1-receptor

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free base

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http://selleckchem.com/products/.html

>  <CAS Number> (4,658)
10246-75-0

$$$$
S5660 Clodronate disodium tetrahydrate.cdx
csChFnd80/10101813032D

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Clodronate disodium tetrahydrate

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free base

>  <URL> (4,659)
http://selleckchem.com/products/.html

>  <CAS Number> (4,659)
88416-50-6

$$$$
S5662 Ranitidine.cdx
csChFnd80/10101813032D

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>  <Formula> (4,660)
C13H22N4O3S

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Ranitidine

>  <Catalog Number> (4,660)
S5662

>  <Target> (4,660)
Histamine Receptor

>  <Form> (4,660)
free base

>  <URL> (4,660)
http://selleckchem.com/products/.html

>  <CAS Number> (4,660)
66357-35-5

$$$$
S5664 Orphenadrine Hydrochloride.cdx
csChFnd80/10101813032D

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4661

>  <Formula> (4,661)
C18H24ClNO

>  <MolWeight> (4,661)
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>  <Item Name> (4,661)
Orphenadrine Hydrochloride

>  <Catalog Number> (4,661)
S5664

>  <Target> (4,661)
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>  <Form> (4,661)
free base

>  <URL> (4,661)
http://selleckchem.com/products/.html

>  <CAS Number> (4,661)
341-69-5

$$$$
S5724 Dichlorophene.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,662)
4662

>  <Formula> (4,662)
C13H10Cl2O2

>  <MolWeight> (4,662)
269.1233

>  <Item Name> (4,662)
Dichlorophene

>  <Catalog Number> (4,662)
S5724

>  <Target> (4,662)
VDR

>  <Form> (4,662)
free base

>  <URL> (4,662)
http://selleckchem.com/products/.html

>  <CAS Number> (4,662)
97-23-4

$$$$
S5731 Glyceryl tridecanoate.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,663)
4663

>  <Formula> (4,663)
C33H62O6

>  <MolWeight> (4,663)
554.84178

>  <Item Name> (4,663)
Glyceryl tridecanoate

>  <Catalog Number> (4,663)
S5731

>  <Target> (4,663)
Others

>  <Form> (4,663)
free base

>  <URL> (4,663)
http://selleckchem.com/products/.html

>  <CAS Number> (4,663)
621-71-6

$$$$
S5732 Sebacic acid.cdx
csChFnd80/10101813032D

 14 13  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,664)
4664

>  <Formula> (4,664)
C10H18O4

>  <MolWeight> (4,664)
202.24752

>  <Item Name> (4,664)
Sebacic acid

>  <Catalog Number> (4,664)
S5732

>  <Target> (4,664)
Others

>  <Form> (4,664)
free base

>  <URL> (4,664)
http://selleckchem.com/products/.html

>  <CAS Number> (4,664)
111-20-6

$$$$
S5733 Stearic acid.cdx
csChFnd80/10101813032D

 20 19  0  0  0  0  0  0  0  0999 V2000
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (4,665)
4665

>  <Formula> (4,665)
C18H36O2

>  <MolWeight> (4,665)
284.47724

>  <Item Name> (4,665)
Stearic acid

>  <Catalog Number> (4,665)
S5733

>  <Target> (4,665)
NF-kB

>  <Form> (4,665)
free base

>  <URL> (4,665)
http://selleckchem.com/products/.html

>  <CAS Number> (4,665)
57-11-4 

$$$$
S9328 5,6,7-Trimethoxyflavone.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,666)
4666

>  <Formula> (4,666)
C18H16O5

>  <MolWeight> (4,666)
312.31664

>  <Item Name> (4,666)
5,6,7-Trimethoxyflavone

>  <Catalog Number> (4,666)
S9328

>  <Form> (4,666)
free base

>  <CAS Number> (4,666)
973-67-1

$$$$
S9339 S-(-)-Cotinine.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,667)
4667

>  <Formula> (4,667)
C10H12N2O

>  <MolWeight> (4,667)
176.21508

>  <Item Name> (4,667)
S-(-)-Cotinine

>  <Catalog Number> (4,667)
S9339

>  <Form> (4,667)
free base

>  <CAS Number> (4,667)
486-56-6

$$$$
S9341 3,4-Dimethoxycinnamic acid.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  7 12  1  0  0  0  0
 14 15  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (4,668)
4668

>  <Formula> (4,668)
C11H12O4

>  <MolWeight> (4,668)
208.21058

>  <Item Name> (4,668)
3,4-Dimethoxycinnamic acid

>  <Catalog Number> (4,668)
S9341

>  <Form> (4,668)
free base

>  <CAS Number> (4,668)
2316-26-9

$$$$
S9342 1,4-Naphthoquinone.cdx
csChFnd80/10101813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4236    3.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320    4.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    4.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8472    3.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320    5.6043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8472    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,669)
4669

>  <Formula> (4,669)
C10H6O2

>  <MolWeight> (4,669)
158.15344

>  <Item Name> (4,669)
1,4-Naphthoquinone

>  <Catalog Number> (4,669)
S9342

>  <Form> (4,669)
free base

>  <CAS Number> (4,669)
130-15-4

$$$$
S9344 DL-Methionine.cdx
csChFnd80/10101813032D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,670)
4670

>  <Formula> (4,670)
C5H11NO2S

>  <MolWeight> (4,670)
149.21134

>  <Item Name> (4,670)
DL-Methionine

>  <Catalog Number> (4,670)
S9344

>  <Form> (4,670)
free base

>  <CAS Number> (4,670)
59-51-8

$$$$
S9349 D-(+)-Raffinose pentahydrate.cdx
csChFnd80/10101813032D

 39 36  0  0  0  0  0  0  0  0999 V2000
   10.8472    5.6540    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8604    4.2540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5129    6.9930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1616    5.5217    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4549    5.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6575    3.5443    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7196    7.7227    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7410    6.8376    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8731    4.3160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6054    6.5874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4563    4.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6658    2.1214    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8386    9.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1068    7.1453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2755    3.5359    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4646    1.3999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8848    1.4328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1061    9.7121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565    4.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4778    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545    3.5152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    1.4059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    4.2048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6195    5.6028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4293    3.4969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3987    6.2577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2078    4.1889    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4425    2.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    5.5628    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3855    7.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021    3.4775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617    8.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1365   11.8712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7365   11.8712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365   10.4712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0365   10.4712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8365   10.4712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  6  2  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  6  0  0  0
  7  8  1  0  0  0  0
  8 14  1  1  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  6  0  0  0
 13 18  1  0  0  0  0
 15 19  1  1  0  0  0
 15 20  1  0  0  0  0
 16 21  1  1  0  0  0
 16 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  6  0  0  0
 24 22  1  6  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  6  0  0  0
 27 30  1  0  0  0  0
 27 31  1  1  0  0  0
 28 32  1  1  0  0  0
 28 30  1  0  0  0  0
 30 33  1  1  0  0  0
 31 34  1  0  0  0  0
M  END
>  <Mol_ID> (4,671)
4671

>  <Formula> (4,671)
C18H42O21

>  <MolWeight> (4,671)
594.51348

>  <Item Name> (4,671)
D-(+)-Raffinose pentahydrate

>  <Catalog Number> (4,671)
S9349

>  <Form> (4,671)
free base

>  <CAS Number> (4,671)
17629-30-0

$$$$
S9351 2'-Deoxyadenosine monohydrate.cdx
csChFnd80/10101813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.8967    5.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282    5.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    4.0479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0738    6.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2282    7.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4406    5.1120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.6152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870    2.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967    7.6446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4406    7.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6531    5.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.2152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4641    1.7826    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6531    7.2120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4406    9.3120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967    0.4511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3186    2.8036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  1  0  0  0
 12 13  1  0  0  0  0
 13 17  1  6  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (4,672)
4672

>  <Formula> (4,672)
C10H15N5O4

>  <MolWeight> (4,672)
269.2572

>  <Item Name> (4,672)
2'-Deoxyadenosine monohydrate

>  <Catalog Number> (4,672)
S9351

>  <Form> (4,672)
free base

>  <CAS Number> (4,672)
16373-93-6

$$$$
S9353 L-serine.cdx
csChFnd80/10101813032D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4165    1.4032    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6280    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8462    1.4032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    3.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (4,673)
4673

>  <Formula> (4,673)
C3H7NO3

>  <MolWeight> (4,673)
105.09258

>  <Item Name> (4,673)
L-serine

>  <Catalog Number> (4,673)
S9353

>  <Form> (4,673)
free base

>  <CAS Number> (4,673)
56-45-1

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/10101813032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8412    3.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567    2.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0498    1.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4363    3.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6508    5.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    3.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4294    2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2730    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    4.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    1.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0069    3.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7006    3.4969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    5.5954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 14  1  0  0  0  0
  9 12  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (4,674)
4674

>  <Formula> (4,674)
C15H8O4

>  <MolWeight> (4,674)
252.22162

>  <Item Name> (4,674)
Anthraquinone-2-carboxylic Acid

>  <Catalog Number> (4,674)
S9359

>  <Form> (4,674)
free base

>  <CAS Number> (4,674)
117-78-2

$$$$
S9373 Neryl acetate.cdx
csChFnd80/10101813032D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.0639    2.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0673    4.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4819    0.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    2.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6960    0.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2176    4.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9068    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (4,675)
4675

>  <Formula> (4,675)
C12H20O2

>  <MolWeight> (4,675)
196.286

>  <Item Name> (4,675)
Neryl acetate

>  <Catalog Number> (4,675)
S9373

>  <Form> (4,675)
free base

>  <CAS Number> (4,675)
141-12-8

$$$$
S9375 2'-Hydroxyacetophenone.cdx
csChFnd80/10101813032D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  2 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,676)
4676

>  <Formula> (4,676)
C8H8O2

>  <MolWeight> (4,676)
136.14792

>  <Item Name> (4,676)
2'-Hydroxyacetophenone

>  <Catalog Number> (4,676)
S9375

>  <Form> (4,676)
free base

>  <CAS Number> (4,676)
118-93-4

$$$$
S9376 Benzylacetone.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4385    2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2288    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8591    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110    2.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    2.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2838    2.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    4.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (4,677)
4677

>  <Formula> (4,677)
C10H12O

>  <MolWeight> (4,677)
148.20168

>  <Item Name> (4,677)
Benzylacetone

>  <Catalog Number> (4,677)
S9376

>  <Form> (4,677)
free base

>  <CAS Number> (4,677)
2550-26-7

$$$$
S9377 Eugenyl acetate.cdx
csChFnd80/10101813032D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.6461    2.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464    2.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6461    4.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    2.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0441    2.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464    0.7014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8466    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2154    2.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0441    4.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0613    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2154    4.1944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5059    4.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7123    4.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (4,678)
4678

>  <Formula> (4,678)
C12H14O3

>  <MolWeight> (4,678)
206.23776

>  <Item Name> (4,678)
Eugenyl acetate

>  <Catalog Number> (4,678)
S9377

>  <Form> (4,678)
free base

>  <CAS Number> (4,678)
93-28-7

$$$$
S9379 Dihydrocoumarin.cdx
csChFnd80/10101813032D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4327    0.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4293    2.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197    0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6322    2.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2149    2.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016    2.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,679)
4679

>  <Formula> (4,679)
C9H8O2

>  <MolWeight> (4,679)
148.15862

>  <Item Name> (4,679)
Dihydrocoumarin

>  <Catalog Number> (4,679)
S9379

>  <Form> (4,679)
free base

>  <CAS Number> (4,679)
119-84-6

$$$$
S9381 5-Methyl furfural.cdx
csChFnd80/10101813032D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6094    1.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4703    0.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1892    3.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9387    1.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3386    1.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7938    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2229    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9287    2.3608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  6  2  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (4,680)
4680

>  <Formula> (4,680)
C6H6O2

>  <MolWeight> (4,680)
110.11064

>  <Item Name> (4,680)
5-Methyl furfural

>  <Catalog Number> (4,680)
S9381

>  <Target> (4,680)
Others

>  <Form> (4,680)
free base

>  <CAS Number> (4,680)
620-02-0

$$$$
S5723 Carvedilol EP IMpurity E.cdx
csChFnd80/10101813032D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4284    3.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2177    3.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6426    3.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6355    1.0335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0035    3.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    3.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0674    3.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2781    3.1244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4731    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  2  5  1  0  0  0  0
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  6 10  1  0  0  0  0
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  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (4,681)
4681

>  <Formula> (4,681)
C9H14ClNO2

>  <MolWeight> (4,681)
203.66596

>  <Item Name> (4,681)
Carvedilol EP IMpurity E

>  <Catalog Number> (4,681)
S5723

>  <Target> (4,681)
Others

>  <Form> (4,681)
free base

>  <URL> (4,681)
http://selleckchem.com/products/.html

>  <CAS Number> (4,681)
64464-07-9

$$$$
S5725 Pempidine.cdx
csChFnd80/10101813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.6089    1.4179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941    2.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8236    2.1115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6089    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941    3.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9171    0.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8236    3.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2177    2.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3006    0.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6089    4.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (4,682)
4682

>  <Formula> (4,682)
C10H21N

>  <MolWeight> (4,682)
155.28044

>  <Item Name> (4,682)
Pempidine

>  <Catalog Number> (4,682)
S5725

>  <Target> (4,682)
Others

>  <Form> (4,682)
free base

>  <URL> (4,682)
http://selleckchem.com/products/.html

>  <CAS Number> (4,682)
79-55-0 

$$$$
S5729 Fosfosal.cdx
csChFnd80/10101813032D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (4,683)
4683

>  <Formula> (4,683)
C7H7O6P

>  <MolWeight> (4,683)
218.100641

>  <Item Name> (4,683)
Fosfosal

>  <Catalog Number> (4,683)
S5729

>  <Target> (4,683)
GLI3

>  <Form> (4,683)
free base

>  <URL> (4,683)
http://selleckchem.com/products/.html

>  <CAS Number> (4,683)
6064-83-1

$$$$
S9331 7-Hydroxy-4-methyl-8-nitrocoumarin.cdx
csChFnd80/10101813032D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 16  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (4,684)
4684

>  <Formula> (4,684)
C10H7NO5

>  <MolWeight> (4,684)
221.16628

>  <Item Name> (4,684)
7-Hydroxy-4-methyl-8-nitrocoumarin

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S9331

>  <Form> (4,684)
free base

>  <CAS Number> (4,684)
19037-69-5

$$$$
S9332 (+)-Dipentene.cdx
csChFnd80/10101813032D

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>  <Formula> (4,685)
C10H16

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>  <Item Name> (4,685)
(+)-Dipentene

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S9332

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free base

>  <CAS Number> (4,685)
5989-27-5

$$$$
S9338 Octyl gallate.cdx
csChFnd80/10101813032D

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Octyl gallate

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S9338

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free base

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1034-01-1

$$$$
S9363 Coumarin 151.cdx
csChFnd80/10101813032D

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4687

>  <Formula> (4,687)
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Coumarin 151

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S9363

>  <Form> (4,687)
free base

>  <CAS Number> (4,687)
53518-15-3

$$$$
S9372 Ethyl palmitate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,688)
4688

>  <Formula> (4,688)
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>  <Item Name> (4,688)
Ethyl palmitate

>  <Catalog Number> (4,688)
S9372

>  <Target> (4,688)
Others

>  <Form> (4,688)
free base

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628-97-7

$$$$
S9380 5,7-Dihydroxy-4-methylcoumarin.cdx
csChFnd80/10101813032D

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C10H8O4

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5,7-Dihydroxy-4-methylcoumarin

>  <Catalog Number> (4,689)
S9380

>  <Form> (4,689)
free base

>  <CAS Number> (4,689)
2107-76-8

$$$$
S9382 Thymine.cdx
csChFnd80/10101813032D

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C5H6N2O2

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Thymine

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S9382

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estrogen related receptor alpha

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free base

>  <CAS Number> (4,690)
65-71-4

$$$$
S9383 Methyl palmitate.cdx
csChFnd80/10101813032D

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S9383

>  <Target> (4,691)
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free base

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112-39-0

$$$$
S9453 2-Undecanol.cdx
csChFnd80/10101813032D

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1653-30-1

$$$$
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csChFnd80/10101813032D

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>  <Formula> (4,693)
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S4281

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Melatonin Receptor

>  <Form> (4,693)
free base

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http://selleckchem.com/products/.html

>  <CAS Number> (4,693)
609799-22-6  

$$$$
S5010 Indometacin Sodium.cdx
csChFnd80/10101813032D

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4694

>  <Formula> (4,694)
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Indometacin Sodium

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sodium salt trihydrate 

>  <URL> (4,694)
http://selleckchem.com/products/.html

>  <CAS Number> (4,694)
74252-25-8

$$$$
S5067 Losartan.cdx
csChFnd80/10101813032D

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>  <Formula> (4,695)
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Angiotensin Receptor

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free base

>  <URL> (4,695)
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>  <CAS Number> (4,695)
114798-26-4

$$$$
S5203 Sulbutiamine.cdx
csChFnd80/10101813032D

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>  <Formula> (4,696)
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>  <MolWeight> (4,696)
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>  <Item Name> (4,696)
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>  <Catalog Number> (4,696)
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>  <Target> (4,696)
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>  <Form> (4,696)
free base

>  <URL> (4,696)
http://selleckchem.com/products/.html

>  <CAS Number> (4,696)
3286-46-2

$$$$
S5217 Arformoterol Tartrate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,697)
4697

>  <Formula> (4,697)
C23H30N2O10

>  <MolWeight> (4,697)
494.4917

>  <Item Name> (4,697)
Arformoterol Tartrate

>  <Catalog Number> (4,697)
S5217

>  <Synonyms> (4,697)
(R,R)-Formoterol

>  <Target> (4,697)
Others

>  <Form> (4,697)
Tartrate

>  <URL> (4,697)
http://selleckchem.com/products/.html

>  <CAS Number> (4,697)
200815-49-2

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,698)
4698

>  <Formula> (4,698)
C43H44ClFN4O11S3

>  <MolWeight> (4,698)
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>  <Item Name> (4,698)
Lapatinib ditosylate monohydrate

>  <Catalog Number> (4,698)
S5241

>  <Synonyms> (4,698)
Tykerb Ditosylate

>  <Target> (4,698)
Others

>  <Form> (4,698)
ditosylate monohydrate

>  <URL> (4,698)
http://selleckchem.com/products/.html

>  <CAS Number> (4,698)
388082-78-8

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,699)
4699

>  <Formula> (4,699)
C22H27Cl2N7O2S

>  <MolWeight> (4,699)
524.46648

>  <Item Name> (4,699)
Dasatinib hydrochloride

>  <Catalog Number> (4,699)
S5254

>  <Synonyms> (4,699)
BMS 354825 hydrochloride

>  <Target> (4,699)
Abl/Src

>  <Form> (4,699)
hydrochloride 

>  <URL> (4,699)
http://selleckchem.com/products/.html

>  <CAS Number> (4,699)
854001-07-3

$$$$
S5263 Pyrroloquinoline Quinone Disodium Salt.cdx
csChFnd80/10101813032D

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    8.2139    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,700)
4700

>  <Formula> (4,700)
C14H4N2Na2O8

>  <MolWeight> (4,700)
374.1697

>  <Item Name> (4,700)
Pyrroloquinoline Quinone Disodium Salt

>  <Catalog Number> (4,700)
S5263

>  <Synonyms> (4,700)
pqq,methoxatin disodium salt

>  <Target> (4,700)
Others

>  <Form> (4,700)
disodium salt

>  <URL> (4,700)
http://selleckchem.com/products/.html

>  <CAS Number> (4,700)
122628-50-6

$$$$
S5676 Zearalenone.cdx
csChFnd80/10101813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.6552    0.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    2.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,701)
4701

>  <Formula> (4,701)
C18H22O5

>  <MolWeight> (4,701)
318.36428

>  <Item Name> (4,701)
Zearalenone

>  <Catalog Number> (4,701)
S5676

>  <Target> (4,701)
ER

>  <Form> (4,701)
free base

>  <URL> (4,701)
http://selleckchem.com/products/.html

>  <CAS Number> (4,701)
17924-92-4

$$$$
S5728 Delapril Hydrochloride.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,702)
4702

>  <Formula> (4,702)
C26H33ClN2O5

>  <MolWeight> (4,702)
489.00362

>  <Item Name> (4,702)
Delapril Hydrochloride

>  <Catalog Number> (4,702)
S5728

>  <Target> (4,702)
RXRA

>  <Form> (4,702)
hydrochloride 

>  <URL> (4,702)
http://selleckchem.com/products/.html

>  <CAS Number> (4,702)
83435-67-0 

$$$$
S5730 Alimemazine Tartrate.cdx
csChFnd80/10101813032D

 52 55  0  0  0  0  0  0  0  0999 V2000
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tartrate

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4330-99-8 

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free base

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260264-93-5

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HCV Protease

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http://selleckchem.com/products/elbasvir.html

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1370468-36-2

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Indacaterol

>  <Catalog Number> (4,706)
S5654

>  <Synonyms> (4,706)
N/A

>  <Target> (4,706)
Adrenergic Receptor

>  <Form> (4,706)
free base

>  <URL> (4,706)
http://selleckchem.com/products/indacaterol.html

>  <CAS Number> (4,706)
312753-06-3

$$$$
S5655 Venlafaxine.cdx
csChFnd80/10101813032D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,707)
4707

>  <Formula> (4,707)
C17H27NO2

>  <MolWeight> (4,707)
277.40178

>  <Item Name> (4,707)
Venlafaxine

>  <Catalog Number> (4,707)
S5655

>  <Synonyms> (4,707)
Wy 45030

>  <Target> (4,707)
5-HT Receptor

>  <URL> (4,707)
http://selleckchem.com/products/venlafaxine.html

>  <CAS Number> (4,707)
93413-69-5

$$$$
S5657 Ertapenem sodium.cdx
csChFnd80/10101813032D

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 15  3  2  0  0  0  0
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 10  4  1  0  0  0  0
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 19  6  1  0  0  0  0
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 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (4,708)
4708

>  <Formula> (4,708)
C22H24N3NaO7S

>  <MolWeight> (4,708)
497.49663

>  <Item Name> (4,708)
Ertapenem sodium

>  <Catalog Number> (4,708)
S5657

>  <Synonyms> (4,708)
MK826

>  <Target> (4,708)
Anti-infection

>  <Form> (4,708)
sodium salt

>  <URL> (4,708)
http://selleckchem.com/products/ertapenem-sodium.html

>  <CAS Number> (4,708)
153773-82-1

$$$$
S5659 Emedastine.cdx
csChFnd80/10101813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.5671    1.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4,709)
4709

>  <Formula> (4,709)
C17H26N4O

>  <MolWeight> (4,709)
302.41454

>  <Item Name> (4,709)
Emedastine

>  <Catalog Number> (4,709)
S5659

>  <Synonyms> (4,709)
N/A

>  <Target> (4,709)
Histamine Receptor

>  <Form> (4,709)
free base

>  <URL> (4,709)
http://selleckchem.com/products/emedastine.html

>  <CAS Number> (4,709)
87233-61-2

$$$$
S5661 Tiaprofenic acid.cdx
csChFnd80/10101813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4,710)
4710

>  <Formula> (4,710)
C14H12O3S

>  <MolWeight> (4,710)
260.30828

>  <Item Name> (4,710)
Tiaprofenic acid

>  <Catalog Number> (4,710)
S5661

>  <Synonyms> (4,710)
Tiaprofensaeure, Acido tiaprofenico

>  <Target> (4,710)
Immunology & Inflammation related

>  <Form> (4,710)
free base

>  <URL> (4,710)
http://selleckchem.com/products/tiaprofenic-acid.html

>  <CAS Number> (4,710)
33005-95-7

$$$$
S5678 trans-Zeatin-riboside.cdx
csChFnd80/10101813032D

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M  END
>  <Mol_ID> (4,711)
4711

>  <Formula> (4,711)
C15H21N5O5

>  <MolWeight> (4,711)
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>  <Synonyms> (4,711)
N/A

>  <Target> (4,711)
Others

>  <URL> (4,711)
http://selleckchem.com/products/trans-zeatin-riboside.html

>  <CAS Number> (4,711)
6025-53-2

$$$$
S5705 Raceanisodamine.cdx
csChFnd80/10101813032D

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>  <Formula> (4,712)
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>  <MolWeight> (4,712)
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>  <Item Name> (4,712)
Raceanisodamine

>  <Catalog Number> (4,712)
S5705

>  <Synonyms> (4,712)
7¦Â-Hydroxyhyoscyamine

>  <Target> (4,712)
Others

>  <Form> (4,712)
free base

>  <URL> (4,712)
http://selleckchem.com/products/raceanisodamine.html

>  <CAS Number> (4,712)
17659-49-3

$$$$
S5709 Norgestrel.cdx
csChFnd80/10101813032D

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4713

>  <Formula> (4,713)
C21H28O2

>  <MolWeight> (4,713)
312.44582

>  <Item Name> (4,713)
Norgestrel

>  <Catalog Number> (4,713)
S5709

>  <Target> (4,713)
CDK

>  <Form> (4,713)
free base

>  <URL> (4,713)
http://selleckchem.com/products/abemaciclib.html

>  <CAS Number> (4,713)
6533-00-2 

$$$$
S5711 Deracoxib.cdx
csChFnd80/10101813032D

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4714

>  <Formula> (4,714)
C17H14F3N3O3S

>  <MolWeight> (4,714)
397.3715696

>  <Item Name> (4,714)
Deracoxib

>  <Catalog Number> (4,714)
S5711

>  <Synonyms> (4,714)
SC-046

>  <Target> (4,714)
COX

>  <Form> (4,714)
free base

>  <URL> (4,714)
http://selleckchem.com/products/deracoxib.html

>  <CAS Number> (4,714)
169590-41-4 

$$$$
S5714 lurasidone.cdx
csChFnd80/10101813032D

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>  <Mol_ID> (4,715)
4715

>  <Formula> (4,715)
C28H36N4O2S

>  <MolWeight> (4,715)
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>  <Item Name> (4,715)
lurasidone

>  <Catalog Number> (4,715)
S5714

>  <Synonyms> (4,715)
SM-13496

>  <Target> (4,715)
Dopamine Receptor,5-HT Receptor

>  <Form> (4,715)
free base

>  <URL> (4,715)
http://selleckchem.com/products/lurasidone.html

>  <CAS Number> (4,715)
367514-87-2

$$$$
S5716 Abemaciclib.cdx
csChFnd80/10101813032D

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>  <Formula> (4,716)
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>  <MolWeight> (4,716)
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>  <Synonyms> (4,716)
LY2835219

>  <Target> (4,716)
CDK

>  <Form> (4,716)
free base

>  <URL> (4,716)
http://selleckchem.com/products/abemaciclib.html

>  <CAS Number> (4,716)
1231929-97-7 

$$$$
S5717 Acetohexamide.cdx
csChFnd80/10101813032D

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4717

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C15H20N2O4S

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Acetohexamide

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S5717

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N/A

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free base

>  <URL> (4,717)
http://selleckchem.com/products/acetohexamide.html

>  <CAS Number> (4,717)
968-81-0

$$$$
Verinurad (RDEA3170).cdx
csChFnd80/10101813032D

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>  <Formula> (4,718)
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>  <MolWeight> (4,718)
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>  <Item Name> (4,718)
Verinurad (RDEA3170)

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>  <Synonyms> (4,718)
N/A

>  <Target> (4,718)
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free base

>  <URL> (4,718)
http://selleckchem.com/products/verinurad-rdea3170.html

>  <CAS Number> (4,718)
1352792-74-5

$$$$
