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$$$$
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Axitinib

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AG 013736

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VEGFR, PDGFR, c-Kit

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Free Base

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

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319460-85-0

$$$$
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N/A 

>  <Target> (5)
Src, Bcr-Abl

>  <Form> (5)
Free Base

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

>  <CAS Number> (5)
379231-04-6

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6

>  <Formula> (6)
C17H15BrClFN4O3

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

>  <Catalog Number> (6)
S1008

>  <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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>  <Item Name> (7)
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N/A 

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

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>  <URL> (7)
http://www.selleckchem.com/products/BIBF1120.html

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656247-17-5

$$$$
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Bortezomib (Velcade)

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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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Bosutinib (SKI-606)

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S1014

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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
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>  <Mol_ID> (10)
10

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C25H27FN4O3

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Cediranib (AZD2171)

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S1017

>  <Synonyms> (10)
Recentin 

>  <Target> (10)
VEGFR, Flt

>  <Form> (10)
Free Base

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

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

$$$$
CI1040.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (11)
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MEK 

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

$$$$
Dasatinib.cdx
csChFnd80/01151910432D

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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

$$$$
untitled.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (14)
14

>  <Formula> (14)
C22H24ClFN4O3

>  <MolWeight> (14)
446.9023632

>  <Item Name> (14)
Gefitinib (ZD1839)

>  <Catalog Number> (14)
S1025

>  <Synonyms> (14)
N/A

>  <Target> (14)
EGFR

>  <Form> (14)
Free Base

>  <URL> (14)
http://www.selleckchem.com/products/Gefitinib.html

>  <CAS Number> (14)
184475-35-2

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (15)
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C43H42ClFN4O10S3

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Lapatinib (GW-572016) Ditosylate

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GW-57201

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EGFR, HER2

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Ditosylat

>  <URL> (15)
http://www.selleckchem.com/products/Lapatinib-Ditosylate.html

>  <CAS Number> (15)
388082-77-7

$$$$
untitled.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (16)
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C13H13N3O3

>  <MolWeight> (16)
259.26062

>  <Item Name> (16)
Lenalidomide (CC-5013)

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S1029

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CC-5013

>  <Target> (16)
TNF-alpha

>  <Form> (16)
Free Base

>  <URL> (16)
http://www.selleckchem.com/products/Lenalidomide.html

>  <CAS Number> (16)
191732-72-6

$$$$
untitled.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (17)
17

>  <Formula> (17)
C21H23N3O2

>  <MolWeight> (17)
349.42622

>  <Item Name> (17)
Panobinostat (LBH589)

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S1030

>  <Synonyms> (17)
N/A 

>  <Target> (17)
HDAC 

>  <Form> (17)
Free Base

>  <URL> (17)
http://www.selleckchem.com/products/LBH-589.html

>  <CAS Number> (17)
404950-80-7

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (18)
18

>  <Formula> (18)
C22H29N5O9P2

>  <MolWeight> (18)
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>  <Item Name> (18)
Motesanib Diphosphate (AMG-706)

>  <Catalog Number> (18)
S1032

>  <Synonyms> (18)
AMG-706

>  <Target> (18)
VEGFR, PDGFR, c-Kit

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Diphosphate

>  <URL> (18)
http://www.selleckchem.com/products/Motesanib-Diphosphate.html

>  <CAS Number> (18)
857876-30-3

$$$$
untitled.cdx
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>  <Mol_ID> (19)
19

>  <Formula> (19)
C28H22F3N7O

>  <MolWeight> (19)
529.5157896

>  <Item Name> (19)
Nilotinib (AMN-107)

>  <Catalog Number> (19)
S1033

>  <Synonyms> (19)
Tasigna 

>  <Target> (19)
Bcr-Abl

>  <Form> (19)
Free Base

>  <URL> (19)
http://www.selleckchem.com/products/Nilotinib.html

>  <CAS Number> (19)
641571-10-0

$$$$
untitled.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C21H24ClN7O2S

>  <MolWeight> (20)
473.97896

>  <Item Name> (20)
Pazopanib HCl

>  <Catalog Number> (20)
S1035

>  <Synonyms> (20)
GW786034

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

>  <Form> (20)
Hydrochloride

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

>  <CAS Number> (20)
635702-64-6

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C16H14F3IN2O4

>  <MolWeight> (21)
482.1930396

>  <Item Name> (21)
PD0325901

>  <Catalog Number> (21)
S1036

>  <Synonyms> (21)
N/A

>  <Target> (21)
MEK 

>  <Form> (21)
Free Base

>  <URL> (21)
http://www.selleckchem.com/products/PD-0325901.html

>  <CAS Number> (21)
391210-10-9

$$$$
Dimesna.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (22)
22

>  <Formula> (22)
C4H8Na2O6S4

>  <MolWeight> (22)
326.34226

>  <Item Name> (22)
Dimesna

>  <Catalog Number> (22)
S1201 

>  <Synonyms> (22)
BNP7787, Tavocept, BioNumerik

>  <Target> (22)
Others

>  <Form> (22)
Disodium salt

>  <URL> (22)
http://www.selleckchem.com/products/Dimesna.html

>  <CAS Number> (22)
16208-51-8

$$$$
RAPAMYCIN.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (23)
23

>  <Formula> (23)
C51H79NO13

>  <MolWeight> (23)
914.17186

>  <Item Name> (23)
Rapamycin (Sirolimus)

>  <Catalog Number> (23)
S1039

>  <Synonyms> (23)
N/A 

>  <Target> (23)
mTOR 

>  <Form> (23)
Free Base

>  <URL> (23)
http://www.selleckchem.com/products/Rapamycin.html

>  <CAS Number> (23)
53123-88-9

$$$$

csChFnd80/01151910432D

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>  <Mol_ID> (24)
24

>  <Formula> (24)
C28H24ClF3N4O6S

>  <MolWeight> (24)
637.0265696

>  <Item Name> (24)
Sorafenib Tosylate

>  <Catalog Number> (24)
S1040

>  <Synonyms> (24)
Bay 43-9006 

>  <Target> (24)
VEGFR, PDGFR, Raf

>  <Form> (24)
Tosylate

>  <URL> (24)
http://www.selleckchem.com/products/Sorafenib-Tosylate.html

>  <CAS Number> (24)
475207-59-1

$$$$
vorinostat.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (25)
25

>  <Formula> (25)
C14H20N2O3

>  <MolWeight> (25)
264.3202

>  <Item Name> (25)
Vorinostat (SAHA, MK0683)

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S1047

>  <Synonyms> (25)
SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (25)
HDAC

>  <Form> (25)
Free Base

>  <URL> (25)
http://www.selleckchem.com/products/Vorinostat-(SAHA).html

>  <CAS Number> (25)
149647-78-9

$$$$
untitled.cdx
csChFnd80/01151910432D

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Aurora Kinase

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STA-4783

>  <Target> (27)
HSP

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Free Base

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

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488832-69-5

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HDAC 

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209783-80-2

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PKC 

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Free Base

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170364-57-5

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Obatoclax mesylate (GX15-070)

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S1057

>  <Synonyms> (30)
N/A 

>  <Target> (30)
Bcl-2 

>  <Form> (30)
Mesylate

>  <URL> (30)
http://www.selleckchem.com/products/Obatoclax-Mesylate.html

>  <CAS Number> (30)
803712-79-0

$$$$
AZD2281.cdx
csChFnd80/01151910432D

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Olaparib (AZD2281, Ku-0059436)

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S1060

>  <Synonyms> (31)
KU-0059436 

>  <Target> (31)
PARP 

>  <Form> (31)
Free Base

>  <URL> (31)
http://www.selleckchem.com/products/AZD2281(Olaparib).html

>  <CAS Number> (31)
763113-22-0

$$$$
untitled.cdx
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>  <Mol_ID> (32)
32

>  <Formula> (32)
C28H30N6OS

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>  <Item Name> (32)
Masitinib (AB1010)

>  <Catalog Number> (32)
S1064

>  <Synonyms> (32)
N/A 

>  <Target> (32)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (32)
Free Base

>  <URL> (32)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

>  <CAS Number> (32)
790299-79-5

$$$$
untitled.cdx
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>  <Mol_ID> (33)
33

>  <Formula> (33)
C23H27N7O3S2

>  <MolWeight> (33)
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>  <Item Name> (33)
Pictilisib (GDC-0941)

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>  <Synonyms> (33)
RG7321

>  <Target> (33)
PI3K 

>  <Form> (33)
Free Base

>  <URL> (33)
http://www.selleckchem.com/products/GDC-0941.html

>  <CAS Number> (33)
957054-30-7

$$$$
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VER-52296

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HSP

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Free Base

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http://www.selleckchem.com/products/NVP-AUY922.html

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747412-49-3

$$$$
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>  <Mol_ID> (35)
35

>  <Formula> (35)
C19H21F2N7O2

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ZSTK474

>  <Catalog Number> (35)
S1072

>  <Synonyms> (35)
N/A

>  <Target> (35)
PI3K 

>  <Form> (35)
Free Base

>  <URL> (35)
http://www.selleckchem.com/products/ZSTK474.html

>  <CAS Number> (35)
475110-96-4

$$$$

csChFnd80/01151910432D

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>  <Mol_ID> (36)
36

>  <Formula> (36)
C25H23Cl2N5O

>  <MolWeight> (36)
480.38902

>  <Item Name> (36)
MK-2206 dihydrochloride

>  <Catalog Number> (36)
S1078

>  <Synonyms> (36)
N/A

>  <Target> (36)
Akt

>  <Form> (36)
Dihydrochloride

>  <URL> (36)
http://www.selleckchem.com/products/MK-2206.html

>  <CAS Number> (36)
1032350-13-2

$$$$
untitled.cdx
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>  <Mol_ID> (37)
37

>  <Formula> (37)
C19H14Cl2N2O3S

>  <MolWeight> (37)
421.29706

>  <Item Name> (37)
Vismodegib (GDC-0449)

>  <Catalog Number> (37)
S1082

>  <Synonyms> (37)
N/A 

>  <Target> (37)
Hedgehog, P-gp

>  <Form> (37)
Free Base

>  <URL> (37)
http://www.selleckchem.com/products/GDC-0449.html

>  <CAS Number> (37)
879085-55-9

$$$$
Brivanib.cdx
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HDAC 

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PARP 

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HDAC 

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>  <URL> (41)
http://www.selleckchem.com/products/PCI-24781.html

>  <CAS Number> (41)
783355-60-2

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M  END
>  <Mol_ID> (43)
43

>  <Formula> (43)
C19H21FN3O5P

>  <MolWeight> (43)
421.3593042

>  <Item Name> (43)
Rucaparib (AG-014699,PF-01367338) phosphate

>  <Catalog Number> (43)
S1098

>  <Synonyms> (43)
AG-014447 

>  <Target> (43)
PARP 

>  <Form> (43)
Phosphate

>  <URL> (43)
http://www.selleckchem.com/products/AG-014699.html

>  <CAS Number> (43)
459868-92-9

$$$$
untitled.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (44)
44

>  <Formula> (44)
C20H17Cl3N4

>  <MolWeight> (44)
419.73478

>  <Item Name> (44)
Vatalanib (PTK787) 2HCl

>  <Catalog Number> (44)
S1101

>  <Synonyms> (44)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (44)
VEGFR, c-Kit, Flt

>  <Form> (44)
Dihydrochloride

>  <URL> (44)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

>  <CAS Number> (44)
212141-51-0

$$$$
untitled.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (45)
45

>  <Formula> (45)
C26H30N6O3

>  <MolWeight> (45)
474.5548

>  <Item Name> (45)
Danusertib (PHA-739358)

>  <Catalog Number> (45)
S1107

>  <Synonyms> (45)
N/A 

>  <Target> (45)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (45)
Free Base

>  <URL> (45)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

>  <CAS Number> (45)
827318-97-8

$$$$
untitled.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (46)
46

>  <Formula> (46)
C28H39N7O3

>  <MolWeight> (46)
521.65436

>  <Item Name> (46)
BI 2536

>  <Catalog Number> (46)
S1109

>  <Synonyms> (46)
N/A

>  <Target> (46)
PLK

>  <Form> (46)
Free Base

>  <URL> (46)
http://www.selleckchem.com/products/BI-2536.html

>  <CAS Number> (46)
755038-02-9

$$$$
LY315920.cdx
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>  <Mol_ID> (47)
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>  <Formula> (47)
C21H20N2O5

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>  <Item Name> (47)
Varespladib (LY315920)

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LY-333013 

>  <Target> (47)
Phospholipase

>  <Form> (47)
Free Base

>  <URL> (47)
http://www.selleckchem.com/products/LY315920(Varespladib).html

>  <CAS Number> (47)
172732-68-2

$$$$
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>  <Mol_ID> (48)
48

>  <Formula> (48)
C34H34F2N4O6

>  <MolWeight> (48)
632.6537664

>  <Item Name> (48)
Foretinib (GSK1363089, XL880)

>  <Catalog Number> (48)
S1111

>  <Synonyms> (48)
N/A 

>  <Target> (48)
c-Met, VEGFR

>  <Form> (48)
Free Base

>  <URL> (48)
http://www.selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

>  <CAS Number> (48)
849217-64-7

$$$$
untitled.cdx
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>  <Mol_ID> (49)
49

>  <Formula> (49)
C19H13F2N7

>  <MolWeight> (49)
377.3502264

>  <Item Name> (49)
JNJ-38877605

>  <Catalog Number> (49)
S1114

>  <Synonyms> (49)
N/A

>  <Target> (49)
c-Met 

>  <Form> (49)
Free Base

>  <URL> (49)
http://www.selleckchem.com/products/JNJ-38877605.html

>  <CAS Number> (49)
943540-75-8

$$$$
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mTOR

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HDAC 

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726169-73-9

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3544-24-9

$$$$
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Aurora Kinase

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1028486-01-2

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Bcr-Abl, JAK, Aurora Kinase

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>  <URL> (54)
http://www.selleckchem.com/products/AT9283.html

>  <CAS Number> (54)
896466-04-9

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N/A

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Others

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Free Base

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

>  <CAS Number> (55)
59937-28-9 

$$$$
untitled.cdx
csChFnd80/01151910432D

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>  <Formula> (56)
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Andarine (GTX-007)

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>  <Synonyms> (56)
GTX-007

>  <Target> (56)
Androgen Receptor 

>  <Form> (56)
Free Base

>  <URL> (56)
http://www.selleckchem.com/products/Andarine.html

>  <CAS Number> (56)
401900-40-1

$$$$
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>  <Mol_ID> (57)
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HSP

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75747-14-7

$$$$

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M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C22H24FN5O4

>  <MolWeight> (58)
441.4554632

>  <Item Name> (58)
Brivanib alaninate (BMS-582664)

>  <Catalog Number> (58)
S1138 

>  <Synonyms> (58)
N/A 

>  <Target> (58)
VEGFR, FGFR

>  <Form> (58)
Alaninate

>  <URL> (58)
http://www.selleckchem.com/products/Brivanib-alaninate.html

>  <CAS Number> (58)
649735-63-7

$$$$
17-DMAG.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C32H49ClN4O8

>  <MolWeight> (59)
653.20646

>  <Item Name> (59)
17-DMAG HCl (Alvespimycin)

>  <Catalog Number> (59)
S1142

>  <Synonyms> (59)
NSC 707545 

>  <Target> (59)
HSP

>  <Form> (59)
Hydrochloride

>  <URL> (59)
http://www.selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

>  <CAS Number> (59)
467214-21-7

$$$$
VX770.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (60)
60

>  <Formula> (60)
C24H28N2O3

>  <MolWeight> (60)
392.49072

>  <Item Name> (60)
Ivacaftor (VX-770)

>  <Catalog Number> (60)
S1144

>  <Synonyms> (60)
N/A

>  <Target> (60)
CFTR

>  <Form> (60)
Free Base

>  <URL> (60)
http://www.selleckchem.com/products/VX-770.html

>  <CAS Number> (60)
873054-44-5

$$$$
untitled.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C26H30FN7O3

>  <MolWeight> (61)
507.5599032

>  <Item Name> (61)
Barasertib (AZD1152-HQPA)

>  <Catalog Number> (61)
S1147

>  <Synonyms> (61)
AZD1152 

>  <Target> (61)
Aurora Kinase

>  <Form> (61)
Free Base

>  <URL> (61)
http://www.selleckchem.com/products/AZD1152-HQPA.html

>  <CAS Number> (61)
722544-51-6

$$$$
Paclitaxel.cdx
csChFnd80/01151910432D

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Microtubule Associated

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Free Base

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http://www.selleckchem.com/products/Paclitaxel(Taxol).html

>  <CAS Number> (62)
33069-62-4

$$$$
untitled.cdx
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S1153

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N/A 

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CDK 

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Free Base

>  <URL> (63)
http://www.selleckchem.com/products/Roscovitine.html

>  <CAS Number> (63)
186692-46-6 

$$$$
Capecitabine.cdx
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Captabin 

>  <Target> (64)
DNA/RNA Synthesis

>  <Form> (64)
Free Base

>  <URL> (64)
http://www.selleckchem.com/products/Capecitabine(Xeloda).html

>  <CAS Number> (64)
154361-50-9

$$$$
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VDA

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M  END
>  <Mol_ID> (70)
70

>  <Formula> (70)
C21H25N7

>  <MolWeight> (70)
375.4701

>  <Item Name> (70)
ENMD-2076

>  <Catalog Number> (70)
S1181

>  <Synonyms> (70)
N/A 

>  <Target> (70)
Flt, Aurora Kinase, VEGFR

>  <Form> (70)
Tartaric Acid 

>  <URL> (70)
http://www.selleckchem.com/products/ENMD-2076.html

>  <CAS Number> (70)
934353-76-1

$$$$
Danoprevir (RG7227,ITMN-191,RO5190591).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (71)
71

>  <Formula> (71)
C35H46FN5O9S

>  <MolWeight> (71)
731.8312432

>  <Item Name> (71)
Danoprevir (ITMN-191)

>  <Catalog Number> (71)
S1183

>  <Synonyms> (71)
RG7227, ITMN-191, RO5190591

>  <Target> (71)
Proteasome, HCV Protease

>  <Form> (71)
Free Base

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

>  <CAS Number> (71)
850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5

$$$$
Ritonavir.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (72)
72

>  <Formula> (72)
C37H48N6O5S2

>  <MolWeight> (72)
720.94422

>  <Item Name> (72)
Ritonavir

>  <Catalog Number> (72)
S1185

>  <Synonyms> (72)
Norvir, Norvir Softgel

>  <Target> (72)
HIV Protease

>  <Form> (72)
Free Base

>  <URL> (72)
http://www.selleckchem.com/products/Ritonavir.html

>  <CAS Number> (72)
155213-67-5

$$$$
Ostarine(MK-2866).cdx
csChFnd80/01151910432D

 28 29  0  0  0  0  0  0  0  0999 V2000
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    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
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  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
  2  6  1  6  0  0  0
  2  7  1  1  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
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 18 19  3  0  0  0  0
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M  END
>  <Mol_ID> (73)
73

>  <Formula> (73)
C19H14F3N3O3

>  <MolWeight> (73)
389.3279696

>  <Item Name> (73)
MK-2866 (GTx-024)

>  <Catalog Number> (73)
S1174

>  <Synonyms> (73)
Enobosarm, ostarine

>  <Target> (73)
Androgen Receptor

>  <Form> (73)
Free Base

>  <URL> (73)
http://www.selleckchem.com/products/Ostarine.html

>  <CAS Number> (73)
841205-47-8

$$$$
Anastrozole.cdx
csChFnd80/01151910432D

 22 23  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
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M  END
>  <Mol_ID> (74)
74

>  <Formula> (74)
C17H19N5

>  <MolWeight> (74)
293.36626

>  <Item Name> (74)
Anastrozole

>  <Catalog Number> (74)
S1188

>  <Synonyms> (74)
Arimidex 

>  <Target> (74)
Aromatase

>  <Form> (74)
Free Base

>  <URL> (74)
http://www.selleckchem.com/products/Anastrozole.html

>  <CAS Number> (74)
120511-73-1

$$$$
Aprepitant.cdx
csChFnd80/01151910432D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (75)
75

>  <Formula> (75)
C23H21F7N4O3

>  <MolWeight> (75)
534.4266624

>  <Item Name> (75)
Aprepitant (MK-0869)

>  <Catalog Number> (75)
S1189

>  <Synonyms> (75)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (75)
Substance P

>  <Form> (75)
Free Base

>  <URL> (75)
http://www.selleckchem.com/products/Aprepitant.html

>  <CAS Number> (75)
170729-80-3

$$$$
bicalutamide.cdx
csChFnd80/01151910432D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (76)
76

>  <Formula> (76)
C18H14F4N2O4S

>  <MolWeight> (76)
430.3733728

>  <Item Name> (76)
Bicalutamide (Casodex)

>  <Catalog Number> (76)
S1190

>  <Synonyms> (76)
N/A 

>  <Target> (76)
Androgen Receptor, P450

>  <Form> (76)
Free Base

>  <URL> (76)
http://www.selleckchem.com/products/Bicalutamide(Casodex).html

>  <CAS Number> (76)
90357-06-5

$$$$
Fulvestrant.cdx
csChFnd80/01151910432D

 44 47  0  0  0  0  0  0  0  0999 V2000
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Estrogen/progestogen Receptor

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Free Base

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

>  <CAS Number> (77)
129453-61-8

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DNA/RNA Synthesis

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Free Base

>  <URL> (78)
http://www.selleckchem.com/products/Raltitrexed.html

>  <CAS Number> (78)
112887-68-0

$$$$
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HDAC, EGFR, HER2

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>  <URL> (79)
http://www.selleckchem.com/products/CUDC-101.html

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1012054-59-9

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Aromatase

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Free Base

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

>  <CAS Number> (80)
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
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   10.3906    3.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12  9  1  6  0  0  0
M  END
>  <Mol_ID> (81)
81

>  <Formula> (81)
C10H12ClN5O3

>  <MolWeight> (81)
285.68698

>  <Item Name> (81)
Cladribine

>  <Catalog Number> (81)
S1199

>  <Synonyms> (81)
Leustatin

>  <Target> (81)
DNA/RNA Synthesis

>  <Form> (81)
Free Base

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

>  <CAS Number> (81)
4291-63-8

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (82)
82

>  <Formula> (82)
C8H12N4O4

>  <MolWeight> (82)
228.20528

>  <Item Name> (82)
Decitabine

>  <Catalog Number> (82)
S1200

>  <Synonyms> (82)
Dacogen

>  <Target> (82)
DNA/RNA Synthesis

>  <Form> (82)
Free Base

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

>  <CAS Number> (82)
2353-33-5

$$$$
Dutasteride.cdx
csChFnd80/01151910432D

 41 45  0  0  0  0  0  0  0  0999 V2000
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    2.4207    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   12.0596    9.5835    0.0000 F   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
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  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
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 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
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 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
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 20 22  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  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
 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
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 10 40  1  6  0  0  0
 11 41  1  6  0  0  0
M  END
>  <Mol_ID> (83)
83

>  <Formula> (83)
C27H30F6N2O2

>  <MolWeight> (83)
528.5297192

>  <Item Name> (83)
Dutasteride

>  <Catalog Number> (83)
S1202

>  <Synonyms> (83)
Avodart

>  <Target> (83)
5-alpha Reductase

>  <Form> (83)
Free Base

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

>  <CAS Number> (83)
164656-23-9

$$$$
AV-951.cdx
csChFnd80/01151910432D

 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
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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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M  END
>  <Mol_ID> (84)
84

>  <Formula> (84)
C22H19ClN4O5

>  <MolWeight> (84)
454.86306

>  <Item Name> (84)
Tivozanib (AV-951)

>  <Catalog Number> (84)
S1207

>  <Synonyms> (84)
N/A 

>  <Target> (84)
VEGFR, c-Kit, PDGFR

>  <Form> (84)
Free Base

>  <URL> (84)
http://www.selleckchem.com/products/AV-951.html

>  <CAS Number> (84)
475108-18-0

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/01151910432D

 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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M  END
>  <Mol_ID> (85)
85

>  <Formula> (85)
C27H30ClNO11

>  <MolWeight> (85)
579.9802

>  <Item Name> (85)
Doxorubicin (Adriamycin) HCl

>  <Catalog Number> (85)
S1208

>  <Synonyms> (85)
N/A 

>  <Target> (85)
Topoisomerase

>  <Form> (85)
Hydrochloride

>  <URL> (85)
http://www.selleckchem.com/products/Adriamycin.html

>  <CAS Number> (85)
25316-40-9

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (86)
86

>  <Formula> (86)
C4H3FN2O2

>  <MolWeight> (86)
130.0772232

>  <Item Name> (86)
Adrucil (Fluorouracil)

>  <Catalog Number> (86)
S1209

>  <Synonyms> (86)
5-FU, Carac, Efudex, Fluoroplex 

>  <Target> (86)
DNA/RNA Synthesis

>  <Form> (86)
Free Base

>  <URL> (86)
http://www.selleckchem.com/products/Adrucil(Fluorouracil).html

>  <CAS Number> (86)
51-21-8

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/01151910432D

 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> (87)
87

>  <Formula> (87)
C20H22N8O5

>  <MolWeight> (87)
454.43928

>  <Item Name> (87)
Abitrexate (Methotrexate)

>  <Catalog Number> (87)
S1210

>  <Synonyms> (87)
Methotrexate, Rheumatrex, Trexall

>  <Target> (87)
DHFR

>  <Form> (87)
Free Base

>  <URL> (87)
http://www.selleckchem.com/products/Abitrexate.html

>  <CAS Number> (87)
59-05-2

$$$$
Bendamustine Hydrochloride.cdx
csChFnd80/01151910432D

 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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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (88)
88

>  <Formula> (88)
C16H22Cl3N3O2

>  <MolWeight> (88)
394.72378

>  <Item Name> (88)
Bendamustine HCL 

>  <Catalog Number> (88)
S1212

>  <Synonyms> (88)
Ribomustin, Treanda, SDX-105

>  <Target> (88)
DNA/RNA Synthesis

>  <Form> (88)
Hydrochloride

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

>  <CAS Number> (88)
3543-75-7

$$$$
Arranon (Nelarabine).cdx
csChFnd80/01151910432D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 17 13  1  0  0  0  0
 13  7  1  6  0  0  0
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 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C11H15N5O5

>  <MolWeight> (89)
297.2673

>  <Item Name> (89)
Nelarabine (Arranon)

>  <Catalog Number> (89)
S1213

>  <Synonyms> (89)
Arranon

>  <Target> (89)
DNA/RNA Synthesis 

>  <Form> (89)
Free Base

>  <URL> (89)
http://www.selleckchem.com/products/Arranon.html

>  <CAS Number> (89)
121032-29-9

$$$$
Clofarabine.cdx
csChFnd80/01151910432D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 12  1  0  0  0  0
 12  7  1  6  0  0  0
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 15 18  1  6  0  0  0
 14 19  1  1  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C10H11ClFN5O3

>  <MolWeight> (90)
303.6774432

>  <Item Name> (90)
Clofarabine

>  <Catalog Number> (90)
S1218

>  <Synonyms> (90)
Clolar, Evoltra

>  <Target> (90)
DNA/RNA Synthesis

>  <Form> (90)
Free Base

>  <URL> (90)
http://www.selleckchem.com/products/Clofarabine.html

>  <CAS Number> (90)
123318-82-1

$$$$
Dexrazoxane Hydrochloride.cdx
csChFnd80/01151910432D

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 N   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
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 17  1  6  0  0  0
 15 18  2  0  0  0  0
 13 19  2  0  0  0  0
M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C11H17ClN4O4

>  <MolWeight> (91)
304.73008

>  <Item Name> (91)
Dexrazoxane Hydrochloride

>  <Catalog Number> (91)
S1222

>  <Synonyms> (91)
Totect, ICRF-187, Zinecard, Cardioxane

>  <Target> (91)
Others

>  <Form> (91)
Hydrochloride

>  <URL> (91)
http://www.selleckchem.com/products/Dexrazoxane-Hydrochloride.html

>  <CAS Number> (91)
149003-01-0

$$$$
Ellence (Epirubicin Hydrochloride).cdx
csChFnd80/01151910432D

 41 44  0  0  0  0  0  0  0  0999 V2000
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    3.6373    3.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    5.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.9061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    8.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    7.9061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1816    7.6409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5439    8.9932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5540    9.9831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2017    9.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9151   11.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8915    9.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1681    6.6544    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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 10  5  1  0  0  0  0
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  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
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 17  1  0  0  0  0
 22 25  1  0  0  0  0
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 22 29  1  1  0  0  0
 24 30  1  1  0  0  0
 30 31  1  0  0  0  0
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 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
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M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C27H30ClNO11

>  <MolWeight> (92)
579.9802

>  <Item Name> (92)
Epirubicin Hydrochloride

>  <Catalog Number> (92)
S1223

>  <Synonyms> (92)
Ellence, Pharmorubicin, Epirubicin Ebewe

>  <Target> (92)
Topoisomerase 

>  <Form> (92)
Hydrochloride

>  <URL> (92)
http://www.selleckchem.com/products/Ellence.html

>  <CAS Number> (92)
56390-09-1

$$$$
Etoposide.cdx
csChFnd80/01151910432D

 47 53  0  0  0  0  0  0  0  0999 V2000
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    9.6911    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C29H32O13

>  <MolWeight> (93)
588.55658

>  <Item Name> (93)
Etoposide (VP-16)
Etoposide

>  <Catalog Number> (93)
S1225

>  <Synonyms> (93)
Vepesid 

>  <Target> (93)
Topoisomerase

>  <Form> (93)
Free Base

>  <URL> (93)
http://www.selleckchem.com/products/Etopophos.html

>  <CAS Number> (93)
33419-42-0

$$$$
Evista (Raloxifene Hydrochloride).cdx
csChFnd80/01151910432D

 35 38  0  0  0  0  0  0  0  0999 V2000
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 12 34  2  0  0  0  0
M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C28H28ClNO4S

>  <MolWeight> (94)
510.04422

>  <Item Name> (94)
Evista (Raloxifene Hydrochloride)

>  <Catalog Number> (94)
S1227

>  <Synonyms> (94)
Raloxifene Hydrochloride, keoxifene

>  <Target> (94)
Estrogen/progestogen Receptor

>  <Form> (94)
Hydrochloride

>  <URL> (94)
http://www.selleckchem.com/products/Evista.html

>  <CAS Number> (94)
82640-04-8

$$$$
Idarubicin Hydrochloride.cdx
csChFnd80/01151910432D

 37 40  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.6646    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 13  1  0  0  0  0
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  7 20  2  0  0  0  0
 14 21  1  0  0  0  0
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M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C26H28ClNO9

>  <MolWeight> (95)
533.95482

>  <Item Name> (95)
Idarubicin HCl

>  <Catalog Number> (95)
S1228

>  <Synonyms> (95)
Idamycin, Zavedos, 4-demethoxydaunorubicin 

>  <Target> (95)
Topoisomerase

>  <Form> (95)
Hydrochloride

>  <URL> (95)
http://www.selleckchem.com/products/Idarubicin.html

>  <CAS Number> (95)
57852-57-0

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/01151910432D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    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
    4.6777    4.4368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
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 12 13  1  0  0  0  0
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 16 12  1  0  0  0  0
 12  7  1  6  0  0  0
 15 17  1  6  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 14 24  1  1  0  0  0
 19 20  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C10H13FN5O7P

>  <MolWeight> (96)
365.2116842

>  <Item Name> (96)
Fludarabine Phosphate (Fludara)

>  <Catalog Number> (96)
S1229

>  <Synonyms> (96)
N/A 

>  <Target> (96)
DNA/RNA Synthesis

>  <Form> (96)
Phosphate

>  <URL> (96)
http://www.selleckchem.com/products/Fludara.html

>  <CAS Number> (96)
75607-67-9

$$$$
Topotecan.cdx
csChFnd80/01151910432D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8804    0.9824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2830    1.0509    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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 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  9  1  0  0  0  0
 11 14  2  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
  6 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
  1 22  1  0  0  0  0
 17 23  2  0  0  0  0
 15 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 16  1  0  0  0  0
 25 28  2  0  0  0  0
 24 29  1  6  0  0  0
 29 30  1  0  0  0  0
 24 31  1  1  0  0  0
M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C23H24ClN3O5

>  <MolWeight> (97)
457.90676

>  <Item Name> (97)
Topotecan HCl

>  <Catalog Number> (97)
S1231

>  <Synonyms> (97)
Hycamtin, NSC 609699

>  <Target> (97)
Topoisomerase 

>  <Form> (97)
Hydrochloride

>  <URL> (97)
http://www.selleckchem.com/products/Topotecan-Hydrochloride.html

>  <CAS Number> (97)
119413-54-6

$$$$
2-Methoxyestradiol.cdx
csChFnd80/01151910432D

 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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    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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>  <Mol_ID> (98)
98

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C19H26O3

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2-Methoxyestradiol

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S1233

>  <Synonyms> (98)
2-ME2

>  <Target> (98)
HIF

>  <Form> (98)
Free Base

>  <URL> (98)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

>  <CAS Number> (98)
362-07-2

$$$$
Letrozole.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (99)
99

>  <Formula> (99)
C17H11N5

>  <MolWeight> (99)
285.30274

>  <Item Name> (99)
Letrozole

>  <Catalog Number> (99)
S1235

>  <Synonyms> (99)
Femara, Piroxicam 

>  <Target> (99)
Aromatase 

>  <Form> (99)
Free Base

>  <URL> (99)
http://www.selleckchem.com/products/Letrozole.html

>  <CAS Number> (99)
112809-51-5

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (100)
100

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C6H6N6O2

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Temozolomide

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S1237

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Methazolastone, Temodar, Temodal

>  <Target> (100)
DNA/RNA Synthesis

>  <Form> (100)
Free Base

>  <URL> (100)
http://www.selleckchem.com/products/Methazolastone.html

>  <CAS Number> (100)
85622-93-1

$$$$
Agomelatine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (101)
101

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C15H17NO2

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Agomelatine

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S1243

>  <Synonyms> (101)
Valdoxan, Melitor, Thymanax

>  <Target> (101)
5-HT Receptor

>  <Form> (101)
Free Base

>  <URL> (101)
http://www.selleckchem.com/products/Agomelatine.html

>  <CAS Number> (101)
138112-76-2

$$$$
MP-470.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (102)
102

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C23H21N5O3S

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447.50954

>  <Item Name> (102)
Amuvatinib (MP-470)

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S1244

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N/A 

>  <Target> (102)
c-Met, c-Kit, PDGFR, Flt, c-RET

>  <Form> (102)
Free Base

>  <URL> (102)
http://www.selleckchem.com/products/MP-470.html

>  <CAS Number> (102)
850879-09-3

$$$$
leflunomide.cdx
csChFnd80/01151910432D

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Leflunomide

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S1247

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Arava

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Dehydrogenase

>  <Form> (103)
Free Base

>  <URL> (103)
http://www.selleckchem.com/products/Leflunomide.html

>  <CAS Number> (103)
75706-12-6

$$$$
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MDV3100 (Enzalutamide)

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N/A 

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Androgen Receptor, P450

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Free Base

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http://www.selleckchem.com/products/MDV3100.html

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915087-33-1

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Dienogest.cdx
csChFnd80/01151910432D

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Estrogen/progestogen Receptor

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Free Base

>  <URL> (105)
http://www.selleckchem.com/products/Dienogest.html

>  <CAS Number> (105)
65928-58-7

$$$$
nepafenac.cdx
csChFnd80/01151910432D

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COX

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78281-72-8

$$$$
Posaconazole.cdx
csChFnd80/01151910432D

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Posaconazole

>  <Catalog Number> (107)
S1257

>  <Synonyms> (107)
SCH56592

>  <Target> (107)
P450 (e.g. CYP17)

>  <Form> (107)
Free Base

>  <URL> (107)
http://www.selleckchem.com/products/Posaconazole.html

>  <CAS Number> (107)
171228-49-2

$$$$
Ramelteon.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C16H21NO2

>  <MolWeight> (108)
259.34344

>  <Item Name> (108)
Ramelteon

>  <Catalog Number> (108)
S1259

>  <Synonyms> (108)
TAK-375

>  <Target> (108)
MT Receptor

>  <Form> (108)
Free Base

>  <URL> (108)
http://www.selleckchem.com/products/Ramelteon.html

>  <CAS Number> (108)
196597-26-9

$$$$
Cinacalcet Hydrochloride.cdx
csChFnd80/01151910432D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C22H23ClF3N

>  <MolWeight> (109)
393.8729296

>  <Item Name> (109)
AMG-073 HCl (Cinacalcet hydrochloride)

>  <Catalog Number> (109)
S1260

>  <Synonyms> (109)
Mimpara, Sensipar

>  <Target> (109)
CaSR

>  <Form> (109)
Hydrochloride

>  <URL> (109)
http://www.selleckchem.com/products/Cinacalcet-hydrochloride.html

>  <CAS Number> (109)
364782-34-3

$$$$
Celecoxib.cdx
csChFnd80/01151910432D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C17H14F3N3O2S

>  <MolWeight> (110)
381.3721696

>  <Item Name> (110)
Celecoxib

>  <Catalog Number> (110)
S1261

>  <Synonyms> (110)
Celebrex, Celebra 

>  <Target> (110)
COX

>  <Form> (110)
Free Base

>  <URL> (110)
http://www.selleckchem.com/products/Celecoxib.html

>  <CAS Number> (110)
169590-42-5

$$$$
BMS-708163.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (111)
111

>  <Formula> (111)
C20H17ClF4N4O4S

>  <MolWeight> (111)
520.8849928

>  <Item Name> (111)
BMS-708163 (Avagacestat)

>  <Catalog Number> (111)
S1262

>  <Synonyms> (111)
N/A 

>  <Target> (111)
Gamma-secretase

>  <Form> (111)
Free Base

>  <URL> (111)
http://www.selleckchem.com/products/BMS-708163.html

>  <CAS Number> (111)
1146699-66-2

$$$$
PLX-4032.cdx
csChFnd80/01151910432D

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 31 32  1  0  0  0  0
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M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C23H18ClF2N3O3S

>  <MolWeight> (112)
489.9221264

>  <Item Name> (112)
Vemurafenib (PLX4032, RG7204)

>  <Catalog Number> (112)
S1267

>  <Synonyms> (112)
RO5185426

>  <Target> (112)
Raf 

>  <Form> (112)
Free Base

>  <URL> (112)
http://www.selleckchem.com/products/PLX-4032.html

>  <CAS Number> (112)
918504-65-1

$$$$
Adapalene.cdx
csChFnd80/01151910432D

 31 36  0  0  0  0  0  0  0  0999 V2000
    4.6230    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8355    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2561    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4686    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6810    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2561    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    2.5003    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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 31 29  1  0  0  0  0
M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C28H28O3

>  <MolWeight> (113)
412.52012

>  <Item Name> (113)
Adapalene

>  <Catalog Number> (113)
S1276

>  <Synonyms> (113)
Differin

>  <Target> (113)
Retinoid Receptor

>  <Form> (113)
Free Base

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

>  <CAS Number> (113)
106685-40-9

$$$$
Altretamine.cdx
csChFnd80/01151910432D

 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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  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
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  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C9H18N6

>  <MolWeight> (114)
210.27942

>  <Item Name> (114)
Altretamine (Hexalen)

>  <Catalog Number> (114)
S1278

>  <Synonyms> (114)
Hexalen

>  <Target> (114)
DNA alkylator

>  <Form> (114)
Free Base

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

>  <CAS Number> (114)
645-05-6

$$$$
Amisulpride.cdx
csChFnd80/01151910432D

 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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M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C17H27N3O4S

>  <MolWeight> (115)
369.47898

>  <Item Name> (115)
Amisulpride

>  <Catalog Number> (115)
S1280

>  <Synonyms> (115)
Solian

>  <Target> (115)
Dopamine Receptor

>  <Form> (115)
Free Base

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

>  <CAS Number> (115)
71675-85-9

$$$$
Aniracetam.cdx
csChFnd80/01151910432D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 15  8  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C12H13NO3

>  <MolWeight> (116)
219.23652

>  <Item Name> (116)
Aniracetam

>  <Catalog Number> (116)
S1281

>  <Synonyms> (116)
Draganon, Sarpul, Ampamet

>  <Target> (116)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (116)
Free Base

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

>  <CAS Number> (116)
72432-10-1

$$$$
Asenapine maleate.cdx
csChFnd80/01151910432D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C21H20ClNO5

>  <MolWeight> (117)
401.8402

>  <Item Name> (117)
Asenapine maleate

>  <Catalog Number> (117)
S1283

>  <Synonyms> (117)
Saphris

>  <Target> (117)
Adrenergic Receptor, 5-HT Receptor

>  <Form> (117)
Maleate

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

>  <CAS Number> (117)
65576-45-6, 135883-08-8 (Maleic acid)

$$$$
Benazepril hydrochloride.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (118)
118

>  <Formula> (118)
C24H29ClN2O5

>  <MolWeight> (118)
460.95046

>  <Item Name> (118)
Benazepril hydrochloride

>  <Catalog Number> (118)
S1284

>  <Synonyms> (118)
Lotensin

>  <Target> (118)
RAAS

>  <Form> (118)
Hydrochloride

>  <URL> (118)
http://www.selleckchem.com/products/Benazepril-hydrochloride.html

>  <CAS Number> (118)
86541-74-4

$$$$
Budesonide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C25H34O6

>  <MolWeight> (119)
430.53386

>  <Item Name> (119)
Budesonide

>  <Catalog Number> (119)
S1286

>  <Synonyms> (119)
N/A

>  <Target> (119)
Glucocorticoid Receptor

>  <Form> (119)
Free Base

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

>  <CAS Number> (119)
51333-22-3

$$$$
Bumetanide.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (120)
120

>  <Formula> (120)
C17H20N2O5S

>  <MolWeight> (120)
364.4161

>  <Item Name> (120)
Bumetanide

>  <Catalog Number> (120)
S1287

>  <Synonyms> (120)
Bumex

>  <Target> (120)
Others

>  <Form> (120)
Free Base

>  <URL> (120)
http://www.selleckchem.com/products/Bumetanide.html

>  <CAS Number> (120)
28395-03-1

$$$$
Carmofur.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (121)
121

>  <Formula> (121)
C11H16FN3O3

>  <MolWeight> (121)
257.2614432

>  <Item Name> (121)
Carmofur

>  <Catalog Number> (121)
S1289

>  <Synonyms> (121)
HCFU

>  <Target> (121)
Antimetabolites

>  <Form> (121)
Free Base

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

>  <CAS Number> (121)
61422-45-5

$$$$
CETIRIZINE DI HCL.cdx
csChFnd80/01151910432D

 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
   12.0976    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.6769    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6769    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4645    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4645    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0438    6.9903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3058    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5182    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5182    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3058    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7265    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9347    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1429    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3511    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5594    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7676    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5594    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6117    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2118    4.1927    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
  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
  9 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  9  1  0  0  0  0
 18 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
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C21H27Cl3N2O3

>  <MolWeight> (122)
461.80968

>  <Item Name> (122)
Cetirizine Dihydrochloride

>  <Catalog Number> (122)
S1291

>  <Synonyms> (122)
Zyrtec, Reactine

>  <Target> (122)
Histamine Receptor

>  <Form> (122)
Dihydrochloride

>  <URL> (122)
http://www.selleckchem.com/products/Cetirizine-di-hcl.html

>  <CAS Number> (122)
83881-52-1

$$$$
Cilnidipine.cdx
csChFnd80/01151910432D

 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
    9.6742    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    5.5927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8825    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.8825    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6742    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5951    0.0000 O   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
   10.8825    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   18.1360    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3485    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3485    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1360    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9236    7.6927    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
  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
 26 28  1  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
 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> (123)
123

>  <Formula> (123)
C27H28N2O7

>  <MolWeight> (123)
492.52042

>  <Item Name> (123)
Cilnidipine

>  <Catalog Number> (123)
S1293

>  <Synonyms> (123)
FRC 8653 

>  <Target> (123)
Calcium Channel

>  <Form> (123)
Free Base

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

>  <CAS Number> (123)
132203-70-4

$$$$
DIETHYLSTILBESTROL (diethylstilbestrol).cdx
csChFnd80/01151910432D

 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
    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
    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
    7.2620    4.8927    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
    8.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 C   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
   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
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 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 12  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C18H20O2

>  <MolWeight> (124)
268.3502

>  <Item Name> (124)
Diethylstilbestrol

>  <Catalog Number> (124)
S1859

>  <Synonyms> (124)
Stilbestrol

>  <Target> (124)
Estrogen/progestogen Receptor

>  <Form> (124)
Free Base

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

>  <CAS Number> (124)
56-53-1

$$$$
Diltiazem HCl.cdx
csChFnd80/01151910432D

 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
    4.8194    7.1473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6107    5.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5630    4.7367    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9591    4.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7477    5.9981    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3351    7.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0533    3.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6566    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9566    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6566    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0566    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7566    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0566    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7542    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6737    3.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039    4.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1640    1.9314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2776    5.3518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6667    7.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    7.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    8.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3612    9.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4296    8.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2210    9.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9177   10.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8232    9.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2666    5.8932    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  7  1  0  0  0  0
  7  1  2  0  0  0  0
  4  8  1  1  0  0  0
  5  9  1  1  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
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  3 20  2  0  0  0  0
  2 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
  7 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  1  1  0  0  0  0
M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C22H27ClN2O4S

>  <MolWeight> (125)
450.97878

>  <Item Name> (125)
Diltiazem HCl

>  <Catalog Number> (125)
S1865

>  <Synonyms> (125)
RG 83606 HCl

>  <Target> (125)
Calcium Channel 

>  <Form> (125)
Hydrochloride

>  <URL> (125)
http://www.selleckchem.com/products/Diltiazem-HCl(Tiazac).html

>  <CAS Number> (125)
33286-22-5 

$$$$
Diphenhydramine hydrochloride.cdx
csChFnd80/01151910432D

 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
    4.8287    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.7976    0.0000 C   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 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
    1.2082    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> (126)
126

>  <Formula> (126)
C17H22ClNO

>  <MolWeight> (126)
291.81568

>  <Item Name> (126)
Diphenhydramine HCl (Benadryl)

>  <Catalog Number> (126)
S1866

>  <Synonyms> (126)
Dimedrol

>  <Target> (126)
Histamine Receptor

>  <Form> (126)
Hydrochloride

>  <URL> (126)
http://www.selleckchem.com/products/Diphenhydramine-hydrochloride(Benadryl).html

>  <CAS Number> (126)
147-24-0 

$$$$
Dapoxetine hydrochloride.cdx
csChFnd80/01151910432D

 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
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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
  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  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
 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
 16 17  1  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> (127)
127

>  <Formula> (127)
C21H24ClNO

>  <MolWeight> (127)
341.87436

>  <Item Name> (127)
Dapoxetine hydrochloride (Priligy)

>  <Catalog Number> (127)
S1869

>  <Synonyms> (127)
Priligy, LY-210448 hydrochloride

>  <Target> (127)
5-HT Receptor

>  <Form> (127)
Hydrochloride

>  <URL> (127)
http://www.selleckchem.com/products/Dapoxetine-hydrochloride(Priligy).html

>  <CAS Number> (127)
129938-20-1

$$$$
Anagrelide hydrochloride.cdx
csChFnd80/01151910432D

 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
    7.3894    4.2535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.3257    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6075    3.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3638    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
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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
  9 10  1  0  0  0  0
 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> (128)
128

>  <Formula> (128)
C10H8Cl3N3O

>  <MolWeight> (128)
292.54902

>  <Item Name> (128)
Anagrelide hydrochloride 

>  <Catalog Number> (128)
S3172

>  <Synonyms> (128)
N/A

>  <Target> (128)
PDE

>  <Form> (128)
Hydrochloride 

>  <URL> (128)
http://www.selleckchem.com/products/anagrelide-hydrochloride.html

>  <CAS Number> (128)
58579-51-4

$$$$
Antipyrine.cdx
csChFnd80/01151910432D

 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
 10 11  2  0  0  0  0
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  7 12  2  0  0  0  0
  2  7  1  0  0  0  0
  5 13  1  0  0  0  0
  1 14  1  0  0  0  0
M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C11H12N2O

>  <MolWeight> (129)
188.22578

>  <Item Name> (129)
Antipyrine

>  <Catalog Number> (129)
S3173

>  <Synonyms> (129)
N/A 

>  <Target> (129)
COX

>  <Form> (129)
Free Base

>  <URL> (129)
http://www.selleckchem.com/products/antipyrine.html

>  <CAS Number> (129)
60-80-0

$$$$
Felodipine.cdx
csChFnd80/01151910432D

 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
    9.6784    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  9  1  0  0  0  0
  1 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 10 21  1  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> (130)
130

>  <Formula> (130)
C18H19Cl2NO4

>  <MolWeight> (130)
384.25376

>  <Item Name> (130)
Felodipine (Plendil)

>  <Catalog Number> (130)
S1885

>  <Synonyms> (130)
Renedil, Feloday 

>  <Target> (130)
NULL

>  <Form> (130)
Free Base

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

>  <CAS Number> (130)
72509-76-3

$$$$
Deflazacort.cdx
csChFnd80/01151910432D

 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> (131)
131

>  <Formula> (131)
C25H31NO6

>  <MolWeight> (131)
441.51674

>  <Item Name> (131)
Deflazacort (Calcort)

>  <Catalog Number> (131)
S1888

>  <Synonyms> (131)
Cortax, Decortil, Deflanil

>  <Target> (131)
Glucocorticoid Receptor

>  <Form> (131)
Free Base

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

>  <CAS Number> (131)
14484-47-0

$$$$
Nizatidine.cdx
csChFnd80/01151910432D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C12H21N5O2S2

>  <MolWeight> (132)
331.45744

>  <Item Name> (132)
Nizatidine

>  <Catalog Number> (132)
S1890

>  <Synonyms> (132)
Axid

>  <Target> (132)
Histamine Receptor

>  <Form> (132)
Free Base

>  <URL> (132)
http://www.selleckchem.com/products/Nizatidine(Axid).html

>  <CAS Number> (132)
76963-41-2

$$$$
Dyclonine hydrochloride.cdx
csChFnd80/01151910432D

 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> (133)
133

>  <Formula> (133)
C18H28ClNO2

>  <MolWeight> (133)
325.87342

>  <Item Name> (133)
Dyclonine hydrochloride

>  <Catalog Number> (133)
S2041

>  <Synonyms> (133)
N/A

>  <Target> (133)
Sodium Channel

>  <Form> (133)
Hydrochloride

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

>  <CAS Number> (133)
536-43-6

$$$$
CARBILEV (carbidopa).cdx
csChFnd80/01151910432D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (134)
134

>  <Formula> (134)
C10H14N2O4

>  <MolWeight> (134)
226.22916

>  <Item Name> (134)
Carbidopa

>  <Catalog Number> (134)
S1891

>  <Synonyms> (134)
Lodosyn

>  <Target> (134)
Decarboxylase

>  <Form> (134)
Free Base

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

>  <CAS Number> (134)
28860-95-9

$$$$
VALSARTAN (valsartan).cdx
csChFnd80/01151910432D

 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> (135)
135

>  <Formula> (135)
C24H29N5O3

>  <MolWeight> (135)
435.51876

>  <Item Name> (135)
Valsartan (Diovan)

>  <Catalog Number> (135)
S1894

>  <Synonyms> (135)
N/A 

>  <Target> (135)
RAAS

>  <Form> (135)
Free Base

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

>  <CAS Number> (135)
137862-53-4

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (136)
136

>  <Formula> (136)
C24H40N8O4

>  <MolWeight> (136)
504.6256

>  <Item Name> (136)
Dipyridamole (Persantine)

>  <Catalog Number> (136)
S1895

>  <Synonyms> (136)
Permole

>  <Target> (136)
PDE

>  <Form> (136)
Free Base

>  <URL> (136)
http://www.selleckchem.com/products/Dipyridamole(Permole,-Persantine).html

>  <CAS Number> (136)
58-32-2

$$$$
Hydroxyurea.cdx
csChFnd80/01151910432D

  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
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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
M  END
>  <Mol_ID> (137)
137

>  <Formula> (137)
CH4N2O2

>  <MolWeight> (137)
76.05466

>  <Item Name> (137)
Hydroxyurea (Cytodrox)

>  <Catalog Number> (137)
S1896

>  <Synonyms> (137)
Hydrea, Biosupressin

>  <Target> (137)
DNA/RNA Synthesis

>  <Form> (137)
Free Base

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

>  <CAS Number> (137)
127-07-1

$$$$
IOSAT (potassium iodide).cdx
csChFnd80/01151910432D

  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> (138)
138

>  <Formula> (138)
IK

>  <MolWeight> (138)
166.00277

>  <Item Name> (138)
Potassium iodide

>  <Catalog Number> (138)
S1897

>  <Synonyms> (138)
N/A 

>  <Target> (138)
Others

>  <Form> (138)
Inorganic salt

>  <URL> (138)
http://www.selleckchem.com/products/Potassium-iodide.html

>  <CAS Number> (138)
7681-11-0

$$$$
Tropisetron hydrochloride.cdx
csChFnd80/01151910432D

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 10  9  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C17H21ClN2O2

>  <MolWeight> (139)
320.81384

>  <Item Name> (139)
Tropisetron HCl

>  <Catalog Number> (139)
S1898

>  <Synonyms> (139)
Navoban

>  <Target> (139)
5-HT Receptor

>  <Form> (139)
Hydrochloride

>  <URL> (139)
http://www.selleckchem.com/products/Tropisetron-hydrochloride.html

>  <CAS Number> (139)
105826-92-4 

$$$$
Nicotinamide.cdx
csChFnd80/01151910432D

  9  9  0  0  0  0  0  0  0  0999 V2000
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    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 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
  1  2  2  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> (140)
140

>  <Formula> (140)
C6H6N2O

>  <MolWeight> (140)
122.12464

>  <Item Name> (140)
Nicotinamide (Vitamin B3)

>  <Catalog Number> (140)
S1899

>  <Synonyms> (140)
Niacinamide

>  <Target> (140)
Sirtuin

>  <Form> (140)
Free Base

>  <URL> (140)
http://www.selleckchem.com/products/Nicotinamide(Niacinamide).html

>  <CAS Number> (140)
98-92-0

$$$$
Vitamin B12.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C63H88CoN14O14P

>  <MolWeight> (141)
1355.365181

>  <Item Name> (141)
Vitamin B12

>  <Catalog Number> (141)
S1902

>  <Synonyms> (141)
Cobalamin, vitamin B-12, Cyanocobalamin 

>  <Target> (141)
Vitamin

>  <Form> (141)
Free Base

>  <URL> (141)
http://www.selleckchem.com/products/Vitamin-B12.html

>  <CAS Number> (141)
68-19-9

$$$$
FLAGYL (metronidazole).cdx
csChFnd80/01151910432D

 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
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  8  9  2  0  0  0  0
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  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C6H9N3O3

>  <MolWeight> (142)
171.15396

>  <Item Name> (142)
Metronidazole (Flagyl)

>  <Catalog Number> (142)
S1907

>  <Synonyms> (142)
Nidagyl, Mepagyl, Anagiardil, Bayer 5360, NSC 50364, NSC69587 

>  <Target> (142)
DNA/RNA Synthesis

>  <Form> (142)
Free Base

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

>  <CAS Number> (142)
443-48-1

$$$$
Flutamide .cdx
csChFnd80/01151910432D

 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
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  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C11H11F3N2O3

>  <MolWeight> (143)
276.2118496

>  <Item Name> (143)
Flutamide (Eulexin)

>  <Catalog Number> (143)
S1908

>  <Synonyms> (143)
Flutamin, Drogenil 

>  <Target> (143)
P450

>  <Form> (143)
Free Base

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

>  <CAS Number> (143)
13311-84-7

$$$$
FLUVASTATIN SODIUM.cdx
csChFnd80/01151910432D

 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
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   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
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  1  2  2  0  0  0  0
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 18 10  1  0  0  0  0
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 26 29  1  0  0  0  0
 26 31  2  0  0  0  0
M  END
>  <Mol_ID> (144)
144

>  <Formula> (144)
C24H25FNNaO4

>  <MolWeight> (144)
433.4477732

>  <Item Name> (144)
Fluvastatin sodium (Lescol)

>  <Catalog Number> (144)
S1909

>  <Synonyms> (144)
Vastin

>  <Target> (144)
HMG-CoA Reductase

>  <Form> (144)
Sodium

>  <URL> (144)
http://www.selleckchem.com/products/Fluvastatin-Sodium(Lescol).htm

>  <CAS Number> (144)
93957-55-2

$$$$
GANTANOL (sulfamethoxazole).cdx
csChFnd80/01151910432D

 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> (145)
145

>  <Formula> (145)
C10H11N3O3S

>  <MolWeight> (145)
253.27764

>  <Item Name> (145)
Sulfamethoxazole

>  <Catalog Number> (145)
S1915

>  <Synonyms> (145)
Gantanol

>  <Target> (145)
Antifection

>  <Form> (145)
Free Base

>  <URL> (145)
http://www.selleckchem.com/products/Sulfamethoxazole.html

>  <CAS Number> (145)
723-46-6

$$$$
GANTRISIN (sulfisoxazole).cdx
csChFnd80/01151910432D

 18 19  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 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    8.8268    0.8635    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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  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 12 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (146)
146

>  <Formula> (146)
C11H13N3O3S

>  <MolWeight> (146)
267.30422

>  <Item Name> (146)
Sulfisoxazole

>  <Catalog Number> (146)
S1916

>  <Synonyms> (146)
Sulfafurazole, Gantrisin Pediatric

>  <Target> (146)
Antifection

>  <Form> (146)
Free Base

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

>  <CAS Number> (146)
127-69-5

$$$$

csChFnd80/01151910432D

 29 30  0  0  0  0  0  0  0  0999 V2000
    7.6370   -5.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6370   -6.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8495   -7.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619   -6.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619   -5.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8495   -4.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8495   -9.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6412   -9.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0577   -9.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4288   -9.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2164   -9.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2164  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4288  -11.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6412  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0577  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2701  -11.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4826  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4826   -9.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2701   -9.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8495   -3.4974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0577   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6412   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6908  -11.8829    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.6908  -13.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8990  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0081  -11.8829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0081  -13.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2065  -12.7676    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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  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
  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
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (147)
147

>  <Formula> (147)
C25H30ClN3

>  <MolWeight> (147)
407.9788

>  <Item Name> (147)
Crystal violet 

>  <Catalog Number> (147)
S1917

>  <Synonyms> (147)
Gentian violet, Hexamethyl pararosaniline chloride 

>  <Target> (147)
Others

>  <Form> (147)
quaternary-N chloride salt

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

>  <CAS Number> (147)
548-62-9

$$$$
HALDOL (haloperidol).cdx
csChFnd80/01151910432D

 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
    1.2082    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5474    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4991    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1991    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5991    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2991    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5991    2.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1991    2.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6942    1.3523    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  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
 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 13  1  0  0  0  0
 16 19  1  0  0  0  0
 16 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
M  END
>  <Mol_ID> (148)
148

>  <Formula> (148)
C21H23ClFNO2

>  <MolWeight> (148)
375.8642232

>  <Item Name> (148)
Haloperidol (Haldol)

>  <Catalog Number> (148)
S1920

>  <Synonyms> (148)
Aloperidin, Bioperidolo, Brotopon, Dozic, Duraperidol, Einalon S

>  <Target> (148)
Dopamine Receptor

>  <Form> (148)
Free Base

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

>  <CAS Number> (148)
52-86-8

$$$$
HEDULIN (phenindione).cdx
csChFnd80/01151910432D

 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
    0.0000    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    3.6719    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  5  1  0  0  0  0
  9 10  2  0  0  0  0
  7 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 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
M  END
>  <Mol_ID> (149)
149

>  <Formula> (149)
C15H10O2

>  <MolWeight> (149)
222.2387

>  <Item Name> (149)
Phenindione (Rectadione)

>  <Catalog Number> (149)
S1921

>  <Synonyms> (149)
Dindevan, Rectadione

>  <Target> (149)
Vitamin

>  <Form> (149)
Free Base

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

>  <CAS Number> (149)
83-12-5

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/01151910432D

 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  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    3.4951    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
    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
    9.4248    5.7652    0.0000 O   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
 16 26  1  6  0  0  0
 17 27  1  6  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (150)
150

>  <Formula> (150)
C21H27FO6

>  <MolWeight> (150)
394.4338832

>  <Item Name> (150)
Triamcinolone (Aristocort)

>  <Catalog Number> (150)
S1933

>  <Synonyms> (150)
N/A

>  <Target> (150)
Glucocorticoid Receptor

>  <Form> (150)
Free Base

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

>  <CAS Number> (150)
124-94-7

$$$$
Azilsartan MedoxoMil.cdx
csChFnd80/01151910432D

 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
    8.3046    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8720    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0046    3.1948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3679    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9984    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5658    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5026    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0700    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0068    5.0348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7006    4.2855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4687    2.8045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5091    1.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   10.2171    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2171    5.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4295    4.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6419    5.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8544    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8544    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0668    9.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2792    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2792    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0668    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1262   11.1782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4956   10.8871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6419    9.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3630    8.9254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (151)
151

>  <Formula> (151)
C30H24N4O8

>  <MolWeight> (151)
568.53356

>  <Item Name> (151)
Azilsartan Medoxomil (TAK-491)

>  <Catalog Number> (151)
S3057

>  <Synonyms> (151)
N/A

>  <Target> (151)
RAAS

>  <Form> (151)
Free Base

>  <URL> (151)
http://www.selleckchem.com/products/azilsartan-medoxomil-tak-491.html

>  <CAS Number> (151)
863031-21-4

$$$$
Medetomidine hcl.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (152)
152

>  <Formula> (152)
C13H17ClN2

>  <MolWeight> (152)
236.74048

>  <Item Name> (152)
Medetomidine HCl

>  <Catalog Number> (152)
S3060

>  <Synonyms> (152)
N/A

>  <Target> (152)
Adrenergic Receptor

>  <Form> (152)
HCl

>  <URL> (152)
http://www.selleckchem.com/products/medetomidine-hcl.html

>  <CAS Number> (152)
86347-15-1

$$$$
Cilostazol.cdx
csChFnd80/01151910432D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (153)
153

>  <Formula> (153)
C20H27N5O2

>  <MolWeight> (153)
369.46068

>  <Item Name> (153)
Cilostazol

>  <Catalog Number> (153)
S1294

>  <Synonyms> (153)
Pletal

>  <Target> (153)
PDE

>  <Form> (153)
Free Base

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

>  <CAS Number> (153)
73963-72-1

$$$$
Floxuridine.cdx
csChFnd80/01151910432D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.4963    3.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (154)
154

>  <Formula> (154)
C9H11FN2O5

>  <MolWeight> (154)
246.1924432

>  <Item Name> (154)
Floxuridine

>  <Catalog Number> (154)
S1299

>  <Synonyms> (154)
Fludara, Fluorodeoxyuridine, FUDR, FdUrd, Floxuridin, FAMP 

>  <Target> (154)
DNA/RNA Synthesis

>  <Form> (154)
Free Base

>  <URL> (154)
http://www.selleckchem.com/products/Floxuridine.html

>  <CAS Number> (154)
50-91-9

$$$$
Ftorafur.cdx
csChFnd80/01151910432D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (155)
155

>  <Formula> (155)
C8H9FN2O3

>  <MolWeight> (155)
200.1670632

>  <Item Name> (155)
Tegafur (FT-207, NSC 148958)

>  <Catalog Number> (155)
S1300

>  <Synonyms> (155)
N/A

>  <Target> (155)
DNA/RNA Synthesis

>  <Form> (155)
Free Base

>  <URL> (155)
http://www.selleckchem.com/products/Ftorafur.html

>  <CAS Number> (155)
17902-23-7

$$$$
1.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (156)
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>  <Formula> (156)
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LY2886721

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S2156

>  <Synonyms> (156)
N/A 

>  <Target> (156)
BACE

>  <Form> (156)
Free Base

>  <URL> (156)
http://www.selleckchem.com/products/LY-2886721.html

>  <CAS Number> (156)
1262036-50-9

$$$$
Ifosfamide.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (157)
157

>  <Formula> (157)
C7H15Cl2N2O2P

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Ifosfamide

>  <Catalog Number> (157)
S1302

>  <Synonyms> (157)
Mitoxana, Ifex

>  <Target> (157)
DNA/RNA Synthesis

>  <Form> (157)
Free Base

>  <URL> (157)
http://www.selleckchem.com/products/Ifosfamide.html

>  <CAS Number> (157)
3778-73-2

$$$$
Megestrol Acetate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (158)
158

>  <Formula> (158)
C24H32O4

>  <MolWeight> (158)
384.50848

>  <Item Name> (158)
Megestrol Acetate

>  <Catalog Number> (158)
S1304

>  <Synonyms> (158)
Megace, Megace ES

>  <Target> (158)
Androgen Receptor

>  <Form> (158)
Free Base

>  <URL> (158)
http://www.selleckchem.com/products/Megestrol-Acetate.html

>  <CAS Number> (158)
595-33-5

$$$$
Mercaptopurine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (159)
159

>  <Formula> (159)
C5H4N4S

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Mercaptopurine (6-MP)

>  <Catalog Number> (159)
S1305

>  <Synonyms> (159)
N/A

>  <Target> (159)
DNA/RNA Synthesis 

>  <Form> (159)
Free Base

>  <URL> (159)
http://www.selleckchem.com/products/Mercaptopurine.html

>  <CAS Number> (159)
50-44-2

$$$$
Streptozocin.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (160)
160

>  <Formula> (160)
C8H15N3O7

>  <MolWeight> (160)
265.2206

>  <Item Name> (160)
Streptozotocin (STZ)

>  <Catalog Number> (160)
S1312

>  <Synonyms> (160)
NSC-85998

>  <Target> (160)
DNA alkylator

>  <Form> (160)
Free Base

>  <URL> (160)
http://www.selleckchem.com/products/Streptozotocin.html

>  <CAS Number> (160)
18883-66-4

$$$$
Dexamethasone.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (161)
161

>  <Formula> (161)
C22H29FO5

>  <MolWeight> (161)
392.4610632

>  <Item Name> (161)
Dexamethasone

>  <Catalog Number> (161)
S1322

>  <Synonyms> (161)
Decadron

>  <Target> (161)
IL Receptor

>  <Form> (161)
Free Base

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

>  <CAS Number> (161)
50-02-2

$$$$
Doxazosin mesylate.cdx
csChFnd80/01151910432D

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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (162)
162

>  <Formula> (162)
C24H29N5O8S

>  <MolWeight> (162)
547.58076

>  <Item Name> (162)
Doxazosin mesylate

>  <Catalog Number> (162)
S1324

>  <Synonyms> (162)
Cardura, Carduran 

>  <Target> (162)
Adrenergic Receptor

>  <Form> (162)
Mesylate

>  <URL> (162)
http://www.selleckchem.com/products/Doxazosin-mesylate.html

>  <CAS Number> (162)
77883-43-3

$$$$
Etodolac.cdx
csChFnd80/01151910432D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0927    0.0000    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
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (163)
163

>  <Formula> (163)
C17H21NO3

>  <MolWeight> (163)
287.35354

>  <Item Name> (163)
Etodolac (Lodine)

>  <Catalog Number> (163)
S1328

>  <Synonyms> (163)
Lodine, Lodine XL

>  <Target> (163)
COX
COX

>  <Form> (163)
Free Base

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

>  <CAS Number> (163)
41340-25-4

$$$$
Etomidate.cdx
csChFnd80/01151910432D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.0189    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8064    1.5157    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
M  END
>  <Mol_ID> (164)
164

>  <Formula> (164)
C14H16N2O2

>  <MolWeight> (164)
244.28904

>  <Item Name> (164)
Etomidate

>  <Catalog Number> (164)
S1329

>  <Synonyms> (164)
Amidate

>  <Target> (164)
GABA Receptor

>  <Form> (164)
Free Base

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

>  <CAS Number> (164)
33125-97-2

$$$$
Fluconazole.cdx
csChFnd80/01151910432D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.1000    5.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0024    9.4777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    4.6364    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    3.4282    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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  5  7  1  0  0  0  0
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  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (165)
165

>  <Formula> (165)
C13H12F2N6O

>  <MolWeight> (165)
306.2707864

>  <Item Name> (165)
Fluconazole

>  <Catalog Number> (165)
S1331

>  <Synonyms> (165)
UK 49858

>  <Target> (165)
P450 (e.g. CYP17)

>  <Form> (165)
Free Base

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

>  <CAS Number> (165)
86386-73-4

$$$$
Flumazenil.cdx
csChFnd80/01151910432D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (166)
166

>  <Formula> (166)
C15H14FN3O3

>  <MolWeight> (166)
303.2883632

>  <Item Name> (166)
Flumazenil

>  <Catalog Number> (166)
S1332

>  <Synonyms> (166)
Flumazepil, Ro 15-1788, Anexate, Lanexat, Mazicon, Roma

>  <Target> (166)
GABA Receptor

>  <Form> (166)
Free Base

>  <URL> (166)
http://www.selleckchem.com/products/Flumazenil.html

>  <CAS Number> (166)
78755-81-4

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/01151910432D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (167)
167

>  <Formula> (167)
C17H19ClF3NO

>  <MolWeight> (167)
345.7870696

>  <Item Name> (167)
Fluoxetine  HCl

>  <Catalog Number> (167)
S1333

>  <Synonyms> (167)
Prozac, Sarafem

>  <Target> (167)
5-HT Receptor

>  <Form> (167)
Hydrochloride

>  <URL> (167)
http://www.selleckchem.com/products/Fluoxetine-hydrochloride.html

>  <CAS Number> (167)
56296-78-7

$$$$
Flupirtine maleate.cdx
csChFnd80/01151910432D

 30 30  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (168)
168

>  <Formula> (168)
C19H21FN4O6

>  <MolWeight> (168)
420.3916432

>  <Item Name> (168)
Flupirtine maleate

>  <Catalog Number> (168)
S1334

>  <Synonyms> (168)
Katadolon

>  <Target> (168)
Antimetabolites

>  <Form> (168)
Maleate

>  <URL> (168)
http://www.selleckchem.com/products/Flupirtine-maleate.html

>  <CAS Number> (168)
75507-68-5

$$$$
Gatifloxacin.cdx
csChFnd80/01151910432D

 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
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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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 12  2  1  0  0  0  0
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 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
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M  END
>  <Mol_ID> (169)
169

>  <Formula> (169)
C19H22FN3O4

>  <MolWeight> (169)
375.3940832

>  <Item Name> (169)
Gatifloxacin

>  <Catalog Number> (169)
S1340

>  <Synonyms> (169)
AM-1155, CG5501, BMS-206584

>  <Target> (169)
Topoisomerase

>  <Form> (169)
Free Base

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

>  <CAS Number> (169)
112811-59-3

$$$$
Genistein.cdx
csChFnd80/01151910432D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (170)
170

>  <Formula> (170)
C15H10O5

>  <MolWeight> (170)
270.2369

>  <Item Name> (170)
Genistein

>  <Catalog Number> (170)
S1342

>  <Synonyms> (170)
N/A

>  <Target> (170)
Topoisomerase
EGFR

>  <Form> (170)
Free Base

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

>  <CAS Number> (170)
446-72-0

$$$$
Glimepiride.cdx
csChFnd80/01151910432D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (171)
171

>  <Formula> (171)
C24H34N4O5S

>  <MolWeight> (171)
490.61556

>  <Item Name> (171)
Glimepiride

>  <Catalog Number> (171)
S1344

>  <Synonyms> (171)
Amaryl, Glista OD

>  <Target> (171)
DPP-4

>  <Form> (171)
Free Base

>  <URL> (171)
http://www.selleckchem.com/products/Glimepiride.html

>  <CAS Number> (171)
93479-97-1

$$$$
TG100-115.cdx
csChFnd80/01151910432D

 26 29  0  0  0  0  0  0  0  0999 V2000
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S1352

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N/A

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PI3K

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Free Base

>  <URL> (172)
http://www.selleckchem.com/products/TG100-115.html

>  <CAS Number> (172)
677297-51-7

$$$$
Lansoprazole.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (173)
173

>  <Formula> (173)
C16H14F3N3O2S

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369.3614696

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Lansoprazole

>  <Catalog Number> (173)
S1354

>  <Synonyms> (173)
Prevacid, Prevacid NapraPAC, Prevacid SoluTab

>  <Target> (173)
Proton Pump

>  <Form> (173)
Free Base

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

>  <CAS Number> (173)
103577-45-3

$$$$
Levetiracetam.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (174)
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C8H14N2O2

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Levetiracetam

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S1356

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UCB-L059, SIB-S1

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Calcium Channel

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Free Base

>  <URL> (174)
http://www.selleckchem.com/products/Levetiracetam.html

>  <CAS Number> (174)
102767-28-2

$$$$
Loratadine(Alavert, Claritin).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (175)
175

>  <Formula> (175)
C22H23ClN2O2

>  <MolWeight> (175)
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>  <Item Name> (175)
Loratadine

>  <Catalog Number> (175)
S1358

>  <Synonyms> (175)
Alavert, Claritin

>  <Target> (175)
Histamine Receptor

>  <Form> (175)
Free Base

>  <URL> (175)
http://www.selleckchem.com/products/Loratadine.html

>  <CAS Number> (175)
79794-75-5

$$$$
mgcd265.cdx
csChFnd80/01151910432D

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875337-44-3

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ON-01910

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PLK

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Sodium Salt

>  <URL> (177)
http://www.selleckchem.com/products/ON-01910.html

>  <CAS Number> (177)
1225497-78-8

$$$$
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Microtubule Associated

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Free Base

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http://www.selleckchem.com/products/Epothilone-B.html

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152044-54-7

$$$$
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Integrase

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http://www.selleckchem.com/products/BMS-707035.html

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729607-74-3

$$$$
Amonafide.cdx
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M  END
>  <Mol_ID> (181)
181

>  <Formula> (181)
C21H26O3

>  <MolWeight> (181)
326.42934

>  <Item Name> (181)
Acitretin

>  <Catalog Number> (181)
S1368

>  <Synonyms> (181)
Etretin, RO 10-1670

>  <Target> (181)
Retinoid Receptor

>  <Form> (181)
Free Base

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

>  <CAS Number> (181)
55079-83-9

$$$$
Gestodene.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C21H26O2

>  <MolWeight> (182)
310.42994

>  <Item Name> (182)
Gestodene

>  <Catalog Number> (182)
S1376

>  <Synonyms> (182)
N/A

>  <Target> (182)
Estrogen/progestogen Receptor

>  <Form> (182)
Free Base

>  <URL> (182)
http://www.selleckchem.com/products/Gestodene.html

>  <CAS Number> (182)
60282-87-3

$$$$
Drospirenone.cdx
csChFnd80/01151910432D

 34 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (183)
183

>  <Formula> (183)
C24H30O3

>  <MolWeight> (183)
366.4932

>  <Item Name> (183)
Drospirenone

>  <Catalog Number> (183)
S1377

>  <Synonyms> (183)
Angeliq

>  <Target> (183)
Estrogen/progestogen Receptor

>  <Form> (183)
Free Base

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

>  <CAS Number> (183)
67392-87-4

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (184)
184

>  <Formula> (184)
C37H48N4O5

>  <MolWeight> (184)
628.80082

>  <Item Name> (184)
Lopinavir (ABT-378)

>  <Catalog Number> (184)
S1380

>  <Synonyms> (184)
ABT-378

>  <Target> (184)
HIV Protease

>  <Form> (184)
Free Base

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

>  <CAS Number> (184)
192725-17-0

$$$$
Meropenem.cdx
csChFnd80/01151910432D

 26 28  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
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  4  8  2  0  0  0  0
  3  9  1  0  0  0  0
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 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C17H25N3O5S

>  <MolWeight> (185)
383.4625

>  <Item Name> (185)
Meropenem

>  <Catalog Number> (185)
S1381

>  <Synonyms> (185)
SM 7338

>  <Target> (185)
Antifection

>  <Form> (185)
Free Base

>  <URL> (185)
http://www.selleckchem.com/products/Meropenem.html

>  <CAS Number> (185)
96036-03-2

$$$$
Mianserin hydrochloride.cdx
csChFnd80/01151910432D

 21 23  0  0  0  0  0  0  0  0999 V2000
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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> (186)
186

>  <Formula> (186)
C18H21ClN2

>  <MolWeight> (186)
300.82574

>  <Item Name> (186)
Mianserin HCl

>  <Catalog Number> (186)
S1382

>  <Synonyms> (186)
ORG GB-94 HCl

>  <Target> (186)
Histamine Receptor(HT receptor)

>  <Form> (186)
Hydrochloride

>  <URL> (186)
http://www.selleckchem.com/products/Mianserin-hydrochloride.html

>  <CAS Number> (186)
21535-47-7

$$$$
Mosapride citrate.cdx
csChFnd80/01151910432D

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    7.2578    8.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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> (187)
187

>  <Formula> (187)
C27H33ClFN3O10

>  <MolWeight> (187)
614.0164232

>  <Item Name> (187)
Mosapride citrate

>  <Catalog Number> (187)
S1385

>  <Synonyms> (187)
TAK-370, AS-4370, Gasmot

>  <Target> (187)
5-HT Receptor

>  <Form> (187)
Citrate

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

>  <CAS Number> (187)
112885-42-4

$$$$
Nafamostat mesylate.cdx
csChFnd80/01151910432D

 36 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (188)
188

>  <Formula> (188)
C21H25N5O8S2

>  <MolWeight> (188)
539.5819

>  <Item Name> (188)
Nafamostat mesylate

>  <Catalog Number> (188)
S1386

>  <Synonyms> (188)
Futhan, FUT-175

>  <Target> (188)
Proteasome

>  <Form> (188)
Dimesylate

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

>  <CAS Number> (188)
82956-11-4

$$$$
Naftopidil.cdx
csChFnd80/01151910432D

 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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M  END
>  <Mol_ID> (189)
189

>  <Formula> (189)
C24H30Cl2N2O3

>  <MolWeight> (189)
465.4126

>  <Item Name> (189)
Naftopidil Dihydrochloride

>  <Catalog Number> (189)
S1387

>  <Synonyms> (189)
Flivas, KT-611, Avishot 

>  <Target> (189)
Adrenergic Receptor

>  <Form> (189)
Dihydrochloride

>  <URL> (189)
http://www.selleckchem.com/products/Naftopidil-Dihydrochloride.html

>  <CAS Number> (189)
57149-08-3

$$$$
Omeprazole.cdx
csChFnd80/01151910432D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (190)
190

>  <Formula> (190)
C17H19N3O3S

>  <MolWeight> (190)
345.41606

>  <Item Name> (190)
Omeprazole (Prilosec)

>  <Catalog Number> (190)
S1389

>  <Synonyms> (190)
Losec, Omesec, Prilosec, Zegerid

>  <Target> (190)
Proton Pump, ATPase

>  <Form> (190)
Free Base

>  <URL> (190)
http://www.selleckchem.com/products/Omeprazole.html

>  <CAS Number> (190)
73590-58-6

$$$$
Pelitinib.cdx
csChFnd80/01151910432D

 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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 29 33  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (191)
191

>  <Formula> (191)
C24H23ClFN5O2

>  <MolWeight> (191)
467.9231232

>  <Item Name> (191)
Pelitinib (EKB-569)

>  <Catalog Number> (191)
S1392

>  <Synonyms> (191)
WAY-EKB 569

>  <Target> (191)
EGFR

>  <Form> (191)
Free Base

>  <URL> (191)
http://www.selleckchem.com/products/Pelitinib.html

>  <CAS Number> (191)
257933-82-7

$$$$
Pizotifen malate.cdx
csChFnd80/01151910432D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (192)
192

>  <Formula> (192)
C23H27NO5S

>  <MolWeight> (192)
429.52918

>  <Item Name> (192)
Pizotifen malate

>  <Catalog Number> (192)
S1394

>  <Synonyms> (192)
BC-105

>  <Target> (192)
5-HT Receptor

>  <Form> (192)
Malate

>  <URL> (192)
http://www.selleckchem.com/products/Pizotifen-malate.html

>  <CAS Number> (192)
5189-11-7

$$$$
resveratrol.cdx
csChFnd80/01151910432D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (193)
193

>  <Formula> (193)
C14H12O3

>  <MolWeight> (193)
228.24328

>  <Item Name> (193)
Resveratrol

>  <Catalog Number> (193)
S1396

>  <Synonyms> (193)
N/A

>  <Target> (193)
Sirtuin

>  <Form> (193)
Free Base

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

>  <CAS Number> (193)
501-36-0

$$$$
Rocuronium bromide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (194)
194

>  <Formula> (194)
C32H53BrN2O4

>  <MolWeight> (194)
609.67822

>  <Item Name> (194)
Rocuronium bromide

>  <Catalog Number> (194)
S1397

>  <Synonyms> (194)
Zemuron, Esmeron

>  <Target> (194)
AChR

>  <Form> (194)
Bromide

>  <URL> (194)
http://www.selleckchem.com/products/Rocuronium-bromide.html

>  <CAS Number> (194)
119302-91-9

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (195)
195

>  <Formula> (195)
C23H34N5O14P

>  <MolWeight> (195)
635.514921

>  <Item Name> (195)
Tenofovir Disoproxil Fumarate

>  <Catalog Number> (195)
S1400

>  <Synonyms> (195)
Viread

>  <Target> (195)
Reverse Transcriptase

>  <Form> (195)
Fumarate

>  <URL> (195)
http://www.selleckchem.com/products/Tenofovir-Disoproxil-Fumarate.html

>  <CAS Number> (195)
202138-50-9

$$$$
Tenofovir(PMPA).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (196)
196

>  <Formula> (196)
C9H14N5O4P

>  <MolWeight> (196)
287.212321

>  <Item Name> (196)
Tenofovir (Viread)

>  <Catalog Number> (196)
S1401

>  <Synonyms> (196)
Viread

>  <Target> (196)
Reverse Transcriptase

>  <Form> (196)
Free Base

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

>  <CAS Number> (196)
147127-20-6

$$$$
S1130.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C20H19BrN4O3

>  <MolWeight> (197)
443.29386

>  <Item Name> (197)
YM155 (Sepantronium Bromide)

>  <Catalog Number> (197)
S1130

>  <Synonyms> (197)
N/A

>  <Target> (197)
Survivin

>  <Form> (197)
Bromide

>  <URL> (197)
http://www.selleckchem.com/products/YM155.html

>  <CAS Number> (197)
781661-94-7

$$$$
Tigecycline.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C29H39N5O8

>  <MolWeight> (198)
585.64866

>  <Item Name> (198)
Tigecycline

>  <Catalog Number> (198)
S1403

>  <Synonyms> (198)
Tygacil, GAR-936, WAY-GAR-936, TBG-MINO

>  <Target> (198)
Antifection

>  <Form> (198)
Free Base

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

>  <CAS Number> (198)
220620-09-7

$$$$
Trilostane.cdx
csChFnd80/01151910432D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C20H27NO3

>  <MolWeight> (199)
329.43328

>  <Item Name> (199)
Trilostane

>  <Catalog Number> (199)
S1404

>  <Synonyms> (199)
Vetoryl

>  <Target> (199)
Dehydrogenase

>  <Form> (199)
Free Base

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

>  <CAS Number> (199)
13647-35-3

$$$$
Vecuronium Bromide.cdx
csChFnd80/01151910432D

 45 49  0  0  0  0  0  0  0  0999 V2000
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 43 38  1  0  0  0  0
 38 44  1  0  0  0  0
M  END
>  <Mol_ID> (200)
200

>  <Formula> (200)
C34H57BrN2O4

>  <MolWeight> (200)
637.73138

>  <Item Name> (200)
Vecuronium Bromide

>  <Catalog Number> (200)
S1405

>  <Synonyms> (200)
Norcuron, Org NC 45

>  <Target> (200)
AChR

>  <Form> (200)
Bromide

>  <URL> (200)
http://www.selleckchem.com/products/Vecuronium-Bromide.html#

>  <CAS Number> (200)
50700-72-6

$$$$
bimatoprost.cdx
csChFnd80/01151910432D

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8599    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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  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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 12  1  1  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
 17 18  1  1  0  0  0
 15 19  1  6  0  0  0
 14 20  1  6  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  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
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
C25H37NO4

>  <MolWeight> (201)
415.56558

>  <Item Name> (201)
Bimatoprost

>  <Catalog Number> (201)
S1407

>  <Synonyms> (201)
Lumigan

>  <Target> (201)
Immunology & Inflammation related

>  <Form> (201)
Free Base

>  <URL> (201)
http://www.selleckchem.com/products/Bimatoprost.html

>  <CAS Number> (201)
155206-00-1

$$$$
Linezolid.cdx
csChFnd80/01151910432D

 24 26  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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  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
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  5  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
 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
  3 14  1  0  0  0  0
  7 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  7  1  0  0  0  0
 18 19  2  0  0  0  0
 16 20  1  1  0  0  0
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 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (202)
202

>  <Formula> (202)
C16H20FN3O4

>  <MolWeight> (202)
337.3461032

>  <Item Name> (202)
Linezolid (Zyvox)

>  <Catalog Number> (202)
S1408

>  <Synonyms> (202)
Zyvoxid, Zyvoxam

>  <Target> (202)
Antifection

>  <Form> (202)
Free Base

>  <URL> (202)
http://www.selleckchem.com/products/Linezolid(Zyvox).html

>  <CAS Number> (202)
165800-03-3

$$$$
Alfuzosin HCl.cdx
csChFnd80/01151910432D

 29 30  0  0  0  0  0  0  0  0999 V2000
    2.4207    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.3521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    3.2545    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
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 22  1  0  0  0  0
M  END
>  <Mol_ID> (203)
203

>  <Formula> (203)
C19H28ClN5O4

>  <MolWeight> (203)
425.90972

>  <Item Name> (203)
Alfuzosin hydrochloride (Uroxatral)

>  <Catalog Number> (203)
S1409

>  <Synonyms> (203)
Uroxatral

>  <Target> (203)
Adrenergic Receptor

>  <Form> (203)
Hydrochloride

>  <URL> (203)
http://www.selleckchem.com/products/Alfuzosin-hydrochloride.html

>  <CAS Number> (203)
81403-68-1

$$$$
Clopidogrel bisulfate.cdx
csChFnd80/01151910432D

 26 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 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  2  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
    1.2124    4.1951    0.0000 Cl  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
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4206    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5977    2.5326    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
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  6  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 14  8  1  0  0  0  0
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 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (204)
204

>  <Formula> (204)
C16H18ClNO6S2

>  <MolWeight> (204)
419.90022

>  <Item Name> (204)
Clopidogrel (Plavix)

>  <Catalog Number> (204)
S1415

>  <Synonyms> (204)
Iscover 

>  <Target> (204)
P2 Receptor

>  <Form> (204)
Sulfate

>  <URL> (204)
http://www.selleckchem.com/products/Clopidogrel-bisulfate.html

>  <CAS Number> (204)
120202-66-6

$$$$
5-Aminolevulinic acid hydrochloride.cdx
csChFnd80/01151910432D

 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
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9360    1.8512    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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  6  7  1  0  0  0  0
  3  8  2  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (205)
205

>  <Formula> (205)
C5H10ClNO3

>  <MolWeight> (205)
167.5908

>  <Item Name> (205)
5-Aminolevulinic acid hydrochloride

>  <Catalog Number> (205)
S2553

>  <Synonyms> (205)
Levulan, ALA

>  <Target> (205)
Others

>  <Form> (205)
Hydrochloride

>  <URL> (205)
http://www.selleckchem.com/products/5-Aminolevulinic-acid-hydrochloride.html

>  <CAS Number> (205)
5451-09-2

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/01151910432D

 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
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    5.4039    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 14 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 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
 22 23  2  0  0  0  0
 23 24  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> (206)
206

>  <Formula> (206)
C24H35Cl2N3O4

>  <MolWeight> (206)
500.4584

>  <Item Name> (206)
Ranolazine dihydrochloride

>  <Catalog Number> (206)
S1425

>  <Synonyms> (206)
RS 43285-193, RS-43285, Ranexa, renolazine 

>  <Target> (206)
Calcium Channel

>  <Form> (206)
Dihydrochloride

>  <URL> (206)
http://www.selleckchem.com/products/Ranolazine-dihydrochloride.html

>  <CAS Number> (206)
95635-56-6

$$$$
Repaglinide.cdx
csChFnd80/01151910432D

 33 35  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.0927    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
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  5 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  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
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 23 18  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 29  1  0  0  0  0
 29 24  1  0  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  1  0  0  0  0
M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C27H36N2O4

>  <MolWeight> (207)
452.58574

>  <Item Name> (207)
Repaglinide

>  <Catalog Number> (207)
S1426

>  <Synonyms> (207)
Prandin, GlucoNorm, NovoNorm

>  <Target> (207)
Potassium Channel

>  <Form> (207)
Free Base

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

>  <CAS Number> (207)
135062-02-1

$$$$
Rolipram.cdx
csChFnd80/01151910432D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.7761    2.4207    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
  5  7  1  0  0  0  0
  1  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
  9 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  9  1  0  0  0  0
 12 18  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C16H21NO3

>  <MolWeight> (208)
275.34284

>  <Item Name> (208)
Rolipram

>  <Catalog Number> (208)
S1430

>  <Synonyms> (208)
N/A

>  <Target> (208)
PDE

>  <Form> (208)
Free Base

>  <URL> (208)
http://www.selleckchem.com/products/Rolipram.html

>  <CAS Number> (208)
61413-54-5

$$$$

csChFnd80/01151910432D

 28 28  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11 12  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
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 25 27  2  0  0  0  0
 22 28  2  0  0  0  0
M  END
>  <Mol_ID> (209)
209

>  <Formula> (209)
C18H27N3O6S

>  <MolWeight> (209)
413.48848

>  <Item Name> (209)
Sumatriptan succinate

>  <Catalog Number> (209)
S1432

>  <Synonyms> (209)
Imigran, mitrex, Imitrex, Suminat, Sumitrex

>  <Target> (209)
5-HT Receptor

>  <Form> (209)
Succinate

>  <URL> (209)
http://www.selleckchem.com/products/Sumatriptan-succinate.html

>  <CAS Number> (209)
103628-48-4

$$$$
Tianeptine sodium salt.cdx
csChFnd80/01151910432D

 30 31  0  0  0  0  0  0  0  0999 V2000
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    8.9349   11.5915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0885    7.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4846    7.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0920    8.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3034   10.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245   12.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6279   11.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155   10.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155    9.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6279    8.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    7.0855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2913    6.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9809    5.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6477    4.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3373    3.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0041    3.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937    1.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0501    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378    2.3091    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    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> (210)
210

>  <Formula> (210)
C21H24ClN2NaO4S

>  <MolWeight> (210)
458.93403

>  <Item Name> (210)
Tianeptine sodium

>  <Catalog Number> (210)
S1436

>  <Synonyms> (210)
Stablon, Coaxil, Tatinol

>  <Target> (210)
5-HT Receptor

>  <Form> (210)
Sodium Salt

>  <URL> (210)
http://www.selleckchem.com/products/Tianeptine-sodium-salt.html

>  <CAS Number> (210)
30123-17-2

$$$$
Topiramate.cdx
csChFnd80/01151910432D

 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
    7.8615    3.6646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (211)
211

>  <Formula> (211)
C12H21NO8S

>  <MolWeight> (211)
339.36204

>  <Item Name> (211)
Topiramate

>  <Catalog Number> (211)
S1438

>  <Synonyms> (211)
Topamax

>  <Target> (211)
Carbonic Anhydrase

>  <Form> (211)
Free Base

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

>  <CAS Number> (211)
97240-79-4

$$$$
Tranilast.cdx
csChFnd80/01151910432D

 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> (212)
212

>  <Formula> (212)
C18H17NO5

>  <MolWeight> (212)
327.33128

>  <Item Name> (212)
Tranilast (SB 252218)

>  <Catalog Number> (212)
S1439

>  <Synonyms> (212)
Rizaben, MK 341, Tranpro

>  <Target> (212)
Immunology & Inflammation related

>  <Form> (212)
Free Base

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

>  <CAS Number> (212)
53902-12-8
53902-12-8

$$$$
Venlafaxine hydrochloride.cdx
csChFnd80/01151910432D

 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
    6.8571    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8571    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6446    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (213)
213

>  <Formula> (213)
C17H28ClNO2

>  <MolWeight> (213)
313.86272

>  <Item Name> (213)
Venlafaxine HCl

>  <Catalog Number> (213)
S1441

>  <Synonyms> (213)
Effexor, Efexor 

>  <Target> (213)
5-HT Receptor

>  <Form> (213)
Hydrochloride

>  <URL> (213)
http://www.selleckchem.com/products/Venlafaxine-hydrochloride.html

>  <CAS Number> (213)
99300-78-4

$$$$
Voriconazole.cdx
csChFnd80/01151910432D

 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> (214)
214

>  <Formula> (214)
C16H14F3N5O

>  <MolWeight> (214)
349.3104696

>  <Item Name> (214)
Voriconazole

>  <Catalog Number> (214)
S1442

>  <Synonyms> (214)
Vfend

>  <Target> (214)
P450

>  <Form> (214)
Free Base

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

>  <CAS Number> (214)
137234-62-9

$$$$
Zileuton.cdx
csChFnd80/01151910432D

 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
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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
  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
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 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C11H12N2O2S

>  <MolWeight> (215)
236.29018

>  <Item Name> (215)
Zileuton

>  <Catalog Number> (215)
S1443

>  <Synonyms> (215)
ZYFLO

>  <Target> (215)
Lipoxygenase

>  <Form> (215)
Free Base

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

>  <CAS Number> (215)
111406-87-2

$$$$
Ziprasidone hydrochloride.cdx
csChFnd80/01151910432D

 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
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    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
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  7  8  1  0  0  0  0
  8  9  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
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 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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 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> (216)
216

>  <Formula> (216)
C21H22Cl2N4OS

>  <MolWeight> (216)
449.39658

>  <Item Name> (216)
Ziprasidone hydrochloride

>  <Catalog Number> (216)
S1444

>  <Synonyms> (216)
Geodon, Zeldox

>  <Target> (216)
5-HT Receptor,Dopamine Receptor

>  <Form> (216)
Hydrochloride

>  <URL> (216)
http://www.selleckchem.com/products/Ziprasidone-hydrochloride.html

>  <CAS Number> (216)
122883-93-6

$$$$
Zonisamide.cdx
csChFnd80/01151910432D

 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
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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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M  END
>  <Mol_ID> (217)
217

>  <Formula> (217)
C8H8N2O3S

>  <MolWeight> (217)
212.22572

>  <Item Name> (217)
Zonisamide

>  <Catalog Number> (217)
S1445

>  <Synonyms> (217)
Zonegran

>  <Target> (217)
Sodium Channel

>  <Form> (217)
Free Base

>  <URL> (217)
http://www.selleckchem.com/products/Zonisamide.html

>  <CAS Number> (217)
68291-97-4

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/01151910432D

 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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 33 27  1  0  0  0  0
 31 34  1  0  0  0  0
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M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C30H33ClN4O2

>  <MolWeight> (218)
517.06162

>  <Item Name> (218)
Ispinesib (SB-715992)

>  <Catalog Number> (218)
S1452

>  <Synonyms> (218)
N/A 

>  <Target> (218)
Kinesin

>  <Form> (218)
Free Base

>  <URL> (218)
http://www.selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

>  <CAS Number> (218)
336113-53-2

$$$$
Tipifarnib.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (219)
219

>  <Formula> (219)
C27H22Cl2N4O

>  <MolWeight> (219)
489.39578

>  <Item Name> (219)
Tipifarnib (Zarnestra)

>  <Catalog Number> (219)
S1453

>  <Synonyms> (219)
R115777

>  <Target> (219)
Farnesyltransferase, Ras

>  <Form> (219)
Free Base

>  <URL> (219)
http://www.selleckchem.com/products/Tipifarnib(R115777).html

>  <CAS Number> (219)
192185-72-1

$$$$
SB207499.cdx
csChFnd80/01151910432D

 26 28  0  0  0  0  0  0  0  0999 V2000
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PDE

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153259-65-5

$$$$
untitled.cdx
csChFnd80/01151910432D

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ETA Receptor

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Free Base

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http://www.selleckchem.com/products/Zibotentan(ZD4054).html

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186497-07-4

$$$$
FG-4592.cdx
csChFnd80/01151910432D

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HIF

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Free Base

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http://www.selleckchem.com/products/fg-4592.html

>  <CAS Number> (222)
808118-40-3

$$$$
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>  <CAS Number> (223)
54573-75-0

$$$$
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M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C27H44O2

>  <MolWeight> (224)
400.63706

>  <Item Name> (224)
Alfacalcidol

>  <Catalog Number> (224)
S1468

>  <Synonyms> (224)
Alpha D3, Etalpha

>  <Target> (224)
Vitamin

>  <Form> (224)
Free Base

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

>  <CAS Number> (224)
41294-56-8

$$$$
Moxifloxacin hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C21H25ClFN3O4

>  <MolWeight> (225)
437.8923032

>  <Item Name> (225)
Moxifloxacin hydrochloride

>  <Catalog Number> (225)
S1465

>  <Synonyms> (225)
Avelox, Avalox

>  <Target> (225)
Topoisomerase

>  <Form> (225)
Hydrochloride

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

>  <CAS Number> (225)
186826-86-8

$$$$
TSU-68 (SU6668).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (226)
226

>  <Formula> (226)
C18H18N2O3

>  <MolWeight> (226)
310.34712

>  <Item Name> (226)
Orantinib (TSU-68, SU6668)

>  <Catalog Number> (226)
S1470

>  <Synonyms> (226)
NSC 702827

>  <Target> (226)
VEGFR, PDGFR , FGFR 

>  <Form> (226)
Free Base

>  <URL> (226)
http://www.selleckchem.com/products/TSU-68(SU6668).html

>  <CAS Number> (226)
252916-29-3

$$$$
FCE28073.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (227)
227

>  <Formula> (227)
C18H23FN2O5S

>  <MolWeight> (227)
398.4490232

>  <Item Name> (227)
Safinamide Mesylate (FCE28073)

>  <Catalog Number> (227)
S1472

>  <Synonyms> (227)
FCE-28073(R-isomer), PNU-151774E, NW-1015 

>  <Target> (227)
MAO

>  <Form> (227)
Mesylate

>  <URL> (227)
http://www.selleckchem.com/products/Safinamide-mesilate.html

>  <CAS Number> (227)
202825-46-5

$$$$
AS-703026.cdx
csChFnd80/01151910432D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (228)
228

>  <Formula> (228)
C15H15FIN3O3

>  <MolWeight> (228)
431.2007732

>  <Item Name> (228)
Pimasertib (AS-703026)

>  <Catalog Number> (228)
S1475

>  <Synonyms> (228)
MSC1936369B, SAR 245509

>  <Target> (228)
MEK 

>  <Form> (228)
Free Base

>  <URL> (228)
http://www.selleckchem.com/products/AS703026.html

>  <CAS Number> (228)
1236699-92-5

$$$$
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HCV Protease

>  <Form> (229)
Free Base

>  <URL> (229)
http://www.selleckchem.com/products/VX-222.html

>  <CAS Number> (229)
1026785-55-6

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RS-33295-198

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P-gp

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Trihydrochlorid

>  <URL> (230)
http://www.selleckchem.com/products/LY335979.html

>  <CAS Number> (230)
167465-36-3

$$$$
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HCV Protease

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>  <URL> (231)
http://www.selleckchem.com/products/BMS-790052.html

>  <CAS Number> (231)
1009119-64-5

$$$$
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csChFnd80/01151910432D

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232

>  <Formula> (232)
C24H27FN2O4

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426.4805832

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Iloperidone (Fanapt)

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S1483

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Fanapta, Zomaril 

>  <Target> (232)
5-HT Receptor

>  <Form> (232)
Free Base

>  <URL> (232)
http://www.selleckchem.com/products/Iloperidone(Fanapt).html

>  <CAS Number> (232)
133454-47-4

$$$$
HMN-214.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (233)
233

>  <Formula> (233)
C22H20N2O5S

>  <MolWeight> (233)
424.4696

>  <Item Name> (233)
HMN-214

>  <Catalog Number> (233)
S1485

>  <Synonyms> (233)
N/A

>  <Target> (233)
PLK 

>  <Form> (233)
Free Base

>  <URL> (233)
http://www.selleckchem.com/products/HMN-214.html

>  <CAS Number> (233)
173529-46-9 

$$$$
AEE-788.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (234)
234

>  <Formula> (234)
C27H32N6

>  <MolWeight> (234)
440.58318

>  <Item Name> (234)
AEE788 (NVP-AEE788)

>  <Catalog Number> (234)
S1486

>  <Synonyms> (234)
N/A 

>  <Target> (234)
EGFR, Flt, VEGFR, HER2

>  <Form> (234)
Free Base

>  <URL> (234)
http://www.selleckchem.com/products/AEE788.html

>  <CAS Number> (234)
497839-62-0

$$$$
Naratriptan Hydrochloride.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (235)
235

>  <Formula> (235)
C17H26ClN3O2S

>  <MolWeight> (235)
371.92524

>  <Item Name> (235)
Naratriptan HCl

>  <Catalog Number> (235)
S1488 

>  <Synonyms> (235)
Amerge, Naramig

>  <Target> (235)
5-HT Receptor

>  <Form> (235)
Hydrochloride

>  <URL> (235)
http://www.selleckchem.com/products/Naratriptan(Amerge).html

>  <CAS Number> (235)
143388-64-1

$$$$
AP24534.cdx
csChFnd80/01151910432D

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    5.9021    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9347    2.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 22  1  0  0  0  0
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 25 32  1  0  0  0  0
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M  END
>  <Mol_ID> (236)
236

>  <Formula> (236)
C29H27F3N6O

>  <MolWeight> (236)
532.5594896

>  <Item Name> (236)
Ponatinib (AP24534)

>  <Catalog Number> (236)
S1490

>  <Synonyms> (236)
N/A 

>  <Target> (236)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (236)
Free Base

>  <URL> (236)
http://www.selleckchem.com/products/AP24534.html

>  <CAS Number> (236)
943319-70-8

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/01151910432D

 31 33  0  0  0  0  0  0  0  0999 V2000
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   16.6699    2.0951    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
  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
 11 12  1  0  0  0  0
 12  5  1  0  0  0  0
  7 13  2  0  0  0  0
  3 14  1  0  0  0  0
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 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (237)
237

>  <Formula> (237)
C23H31NO7

>  <MolWeight> (237)
433.49474

>  <Item Name> (237)
Mycophenolate mofetil (CellCept)

>  <Catalog Number> (237)
S1501

>  <Synonyms> (237)
CellCept, RS 61443, TM-MMF

>  <Target> (237)
Dehydrogenase

>  <Form> (237)
Free Base

>  <URL> (237)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

>  <CAS Number> (237)
128794-94-5

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/01151910432D

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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  2  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
  2  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 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
 13 14  1  0  0  0  0
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 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (238)
238

>  <Formula> (238)
C10H14N4O4

>  <MolWeight> (238)
254.24256

>  <Item Name> (238)
Dyphylline (Dilor)

>  <Catalog Number> (238)
S1504

>  <Synonyms> (238)
Neothylline, Lufyllin, diprophylline

>  <Target> (238)
PDE

>  <Form> (238)
Free Base

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

>  <CAS Number> (238)
479-18-5

$$$$
AZACTAM (aztreonam).cdx
csChFnd80/01151910432D

 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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    7.9792    1.9765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5927    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
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 15  5  1  0  0  0  0
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 27 17  2  0  0  0  0
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M  END
>  <Mol_ID> (239)
239

>  <Formula> (239)
C13H17N5O8S2

>  <MolWeight> (239)
435.43278

>  <Item Name> (239)
Aztreonam (Azactam, Cayston)

>  <Catalog Number> (239)
S1505

>  <Synonyms> (239)
Monobactam, SQ 26776, Squibb 26776 

>  <Target> (239)
Antifection

>  <Form> (239)
Free Base

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

>  <CAS Number> (239)
78110-38-0

$$$$
CIALIS (tadalafil).cdx
csChFnd80/01151910432D

 30 35  0  0  0  0  0  0  0  0999 V2000
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    6.0622    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (240)
240

>  <Formula> (240)
C22H19N3O4

>  <MolWeight> (240)
389.40396

>  <Item Name> (240)
Tadalafil (Cialis)

>  <Catalog Number> (240)
S1512

>  <Synonyms> (240)
IC 351

>  <Target> (240)
PDE

>  <Form> (240)
Free Base

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

>  <CAS Number> (240)
171596-29-5

$$$$
NEORAL (cyclosporine).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (241)
241

>  <Formula> (241)
C62H111N11O12

>  <MolWeight> (241)
1202.61124

>  <Item Name> (241)
Cyclosporine (Neoral)

>  <Catalog Number> (241)
S1514

>  <Synonyms> (241)
Sandimmune, Gengraf, Restasis, Atopica, Sangcya 

>  <Target> (241)
phosphatase

>  <Form> (241)
Free Base

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

>  <CAS Number> (241)
79217-60-0

$$$$
SB 939.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (242)
242

>  <Formula> (242)
C20H30N4O2

>  <MolWeight> (242)
358.4778

>  <Item Name> (242)
SB939 (Pracinostat)

>  <Catalog Number> (242)
S1515

>  <Synonyms> (242)
N/A 

>  <Target> (242)
HDAC

>  <Form> (242)
Free Base

>  <URL> (242)
http://www.selleckchem.com/products/SB939.html

>  <CAS Number> (242)
929016-96-6

$$$$
XL-765.cdx
csChFnd80/01151910432D

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PI3K, mTOR

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Free Base

>  <URL> (243)
http://www.selleckchem.com/products/XL765(SAR245409).html#

>  <CAS Number> (243)
1349796-36-6

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>  <Target> (244)
Wee1

>  <Form> (244)
Free Base

>  <URL> (244)
http://www.selleckchem.com/products/MK-1775.html

>  <CAS Number> (244)
955365-80-7

$$$$
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>  <Synonyms> (245)
N/A 

>  <Target> (245)
Flt

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>  <URL> (245)
http://www.selleckchem.com/products/AC-220.html

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>  <Formula> (246)
C10H8N2O2S2Zn

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>  <Item Name> (246)
Zinc Pyrithione

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S4075

>  <Synonyms> (246)
N/A

>  <Target> (246)
Proton Pump

>  <Form> (246)
Free Base

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

>  <CAS Number> (246)
13463-41-7

$$$$
Milnacipran hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (247)
247

>  <Formula> (247)
C15H23ClN2O

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282.80892

>  <Item Name> (247)
Milnacipran HCl

>  <Catalog Number> (247)
S3140

>  <Synonyms> (247)
N/A

>  <Target> (247)
5-HT Receptor

>  <Form> (247)
HCl

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

>  <CAS Number> (247)
101152-94-7

$$$$
Darifenacin hydrobromide.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (248)
248

>  <Formula> (248)
C28H31BrN2O2

>  <MolWeight> (248)
507.46194

>  <Item Name> (248)
Darifenacin HBr

>  <Catalog Number> (248)
S3144

>  <Synonyms> (248)
N/A 

>  <Target> (248)
AChR

>  <Form> (248)
HBr

>  <URL> (248)
http://www.selleckchem.com/products/darifenacin-hydrobromide.html

>  <CAS Number> (248)
133099-07-7

$$$$
2-Thiouracil.cdx
csChFnd80/01151910432D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (249)
249

>  <Formula> (249)
C4H4N2OS

>  <MolWeight> (249)
128.15236

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2-Thiouracil

>  <Catalog Number> (249)
S3100

>  <Synonyms> (249)
N/A 

>  <Target> (249)
Others

>  <Form> (249)
Free Base

>  <URL> (249)
http://www.selleckchem.com/products/2-thiouracil.html

>  <CAS Number> (249)
141-90-2

$$$$
DMXAA.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (250)
250

>  <Formula> (250)
C17H14O4

>  <MolWeight> (250)
282.29066

>  <Item Name> (250)
DMXAA (Vadimezan)

>  <Catalog Number> (250)
S1537

>  <Synonyms> (250)
AS-1404, 5,6-MeXAA, NSC-640488, Vadimezan 

>  <Target> (250)
VDA

>  <Form> (250)
Free Base

>  <URL> (250)
http://www.selleckchem.com/products/DMXAA(ASA404).html

>  <CAS Number> (250)
117570-53-3

$$$$
Febuxostat.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (251)
251

>  <Formula> (251)
C16H16N2O3S

>  <MolWeight> (251)
316.37484

>  <Item Name> (251)
Febuxostat (Uloric)

>  <Catalog Number> (251)
S1547

>  <Synonyms> (251)
Adenuric

>  <Target> (251)
Others

>  <Form> (251)
Free Base

>  <URL> (251)
http://www.selleckchem.com/products/Febuxostat(Uloric).html

>  <CAS Number> (251)
144060-53-7

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (252)
252

>  <Formula> (252)
C21H25ClO6

>  <MolWeight> (252)
408.8726

>  <Item Name> (252)
Dapagliflozin

>  <Catalog Number> (252)
S1548

>  <Synonyms> (252)
BMS-512148

>  <Target> (252)
SGLT 

>  <Form> (252)
Free Base

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

>  <CAS Number> (252)
461432-26-8

$$$$
Pimobendan.cdx
csChFnd80/01151910432D

 25 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  END
>  <Mol_ID> (253)
253

>  <Formula> (253)
C19H18N4O2

>  <MolWeight> (253)
334.37182

>  <Item Name> (253)
Pimobendan (Vetmedin)

>  <Catalog Number> (253)
S1550

>  <Synonyms> (253)
Acardi, pimobendane

>  <Target> (253)
PDE

>  <Form> (253)
Free Base

>  <URL> (253)
http://www.selleckchem.com/products/Pimobendan(Vetmedin).html

>  <CAS Number> (253)
74150-27-9

$$$$
ABELCET (amphotericin b).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (254)
254

>  <Formula> (254)
C47H73NO17

>  <MolWeight> (254)
924.07902

>  <Item Name> (254)
Amphotericin B

>  <Catalog Number> (254)
S1636

>  <Synonyms> (254)
N/A

>  <Target> (254)
Antifection

>  <Form> (254)
Free Base

>  <URL> (254)
http://www.selleckchem.com/products/Amphotericin-B(Abelcet).

>  <CAS Number> (254)
1397-89-3

$$$$
Azelastine hydrochloride.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (255)
255

>  <Formula> (255)
C22H25Cl2N3O

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418.3594

>  <Item Name> (255)
Azelastine hydrochloride (Astelin)

>  <Catalog Number> (255)
S2552 

>  <Synonyms> (255)
Allergodil, Rhinolast, Astelin, Optilas, Optivar 

>  <Target> (255)
Histamine Receptor

>  <Form> (255)
Hydrochloride

>  <URL> (255)
http://www.selleckchem.com/products/Azelastine-hydrochloride-Astelin.html

>  <CAS Number> (255)
79307-93-0

$$$$
Clarithromycin.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (256)
256

>  <Formula> (256)
C38H69NO13

>  <MolWeight> (256)
747.95336

>  <Item Name> (256)
Clarithromycin (Biaxin, Klacid)

>  <Catalog Number> (256)
S2555

>  <Synonyms> (256)
Crixan, Klaricid, Klabax, Claripen, Clarem, Claridar, Fromilid, Clacid, Clacee, Vikrol, Infex, Clari 

>  <Target> (256)
P450

>  <Form> (256)
Free Base

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

>  <CAS Number> (256)
81103-11-9

$$$$
EX527.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (257)
257

>  <Formula> (257)
C13H13ClN2O

>  <MolWeight> (257)
248.70812

>  <Item Name> (257)
EX 527

>  <Catalog Number> (257)
S1541

>  <Synonyms> (257)
SEN0014196

>  <Target> (257)
Sirtuin

>  <Form> (257)
Free Base

>  <URL> (257)
http://www.selleckchem.com/products/EX-527.html

>  <CAS Number> (257)
49843-98-3

$$$$
KRN633.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (258)
258

>  <Formula> (258)
C20H21ClN4O4

>  <MolWeight> (258)
416.85814

>  <Item Name> (258)
KRN 633

>  <Catalog Number> (258)
S1557

>  <Synonyms> (258)
N/A 

>  <Target> (258)
VEGFR, PDGFR

>  <Form> (258)
Free Base

>  <URL> (258)
http://www.selleckchem.com/products/KRN-633.html

>  <CAS Number> (258)
286370-15-8

$$$$
BMS777607.cdx
csChFnd80/01151910432D

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c-Met

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1025720-94-8

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CFTR

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936727-05-8

$$$$
ALVESCO (ciclesonide).cdx
csChFnd80/01151910432D

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TNF-alpha, COX

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Free Base

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http://www.selleckchem.com/products/Pomalidomide(CC-4047).html

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19171-19-8

$$$$
AVAGE (tazarotene).cdx
csChFnd80/01151910432D

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262

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C21H21NO2S

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Tazorac, Avage, Zora

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Retinoid Receptor

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Free Base

>  <URL> (262)
http://www.selleckchem.com/products/Tazarotene(Avage).html

>  <CAS Number> (262)
118292-40-3

$$$$
Fasudil HCl.cdx
csChFnd80/01151910432D

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263

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C14H18ClN3O2S

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>  <Item Name> (263)
Fasudil HCl (HA-1077)

>  <Catalog Number> (263)
S1573

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AT-877 

>  <Target> (263)
ROCK

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Hydrochloride

>  <URL> (263)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

>  <CAS Number> (263)
105628-07-7

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (264)
264

>  <Formula> (264)
C31H37N5O3

>  <MolWeight> (264)
527.65718

>  <Item Name> (264)
BIRB 796 (Doramapimod)

>  <Catalog Number> (264)
S1574

>  <Synonyms> (264)
N/A

>  <Target> (264)
p38 MAPK

>  <Form> (264)
Free Base

>  <URL> (264)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

>  <CAS Number> (264)
285983-48-4

$$$$
Candesartan.cdx
csChFnd80/01151910432D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (265)
265

>  <Formula> (265)
C24H20N6O3

>  <MolWeight> (265)
440.454

>  <Item Name> (265)
Candesartan (Atacand)

>  <Catalog Number> (265)
S1578

>  <Synonyms> (265)
Atacand, Blopress, Amias, Ratacand

>  <Target> (265)
RAAS

>  <Form> (265)
Free Base

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

>  <CAS Number> (265)
139481-59-7

$$$$
Altrenogest.cdx
csChFnd80/01151910432D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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M  END
>  <Mol_ID> (266)
266

>  <Formula> (266)
C21H26O2

>  <MolWeight> (266)
310.42994

>  <Item Name> (266)
Altrenogest

>  <Catalog Number> (266)
S3167

>  <Synonyms> (266)
N/A 

>  <Target> (266)
Estrogen/progestogen Receptor

>  <Form> (266)
Free Base

>  <URL> (266)
http://www.selleckchem.com/products/altrenogest.html

>  <CAS Number> (266)
850-52-2

$$$$
Apixaban.cdx
csChFnd80/01151910432D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (267)
267

>  <Formula> (267)
C25H25N5O4

>  <MolWeight> (267)
459.4971

>  <Item Name> (267)
Apixaban

>  <Catalog Number> (267)
S1593

>  <Synonyms> (267)
N/A

>  <Target> (267)
Factor Xa 

>  <Form> (267)
Free Base

>  <URL> (267)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

>  <CAS Number> (267)
503612-47-3

$$$$
Semagacestat.cdx
csChFnd80/01151910432D

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LY-450139, LY450139

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Gamma-secretase

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Free Base

>  <URL> (268)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

>  <CAS Number> (268)
425386-60-3

$$$$
Reserpine.cdx
csChFnd80/01151910432D

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>  <Formula> (269)
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Reserpine

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S1601

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N/A

>  <Target> (269)
Others

>  <Form> (269)
Free Base

>  <URL> (269)
http://www.selleckchem.com/products/Reserpine.html

>  <CAS Number> (269)
50-55-5

$$$$
Furosemide.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (270)
270

>  <Formula> (270)
C12H11ClN2O5S

>  <MolWeight> (270)
330.74414

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Furosemide (Lasix)

>  <Catalog Number> (270)
S1603

>  <Synonyms> (270)
Lasix, Frusemide

>  <Target> (270)
Sodium Channel

>  <Form> (270)
Free Base

>  <URL> (270)
http://www.selleckchem.com/products/Furosemide(Lasix).html

>  <CAS Number> (270)
54-31-9

$$$$
CEFDINIR (cefdinir).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (271)
271

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>  <MolWeight> (271)
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FK-482, BMY-28488, PD 134393, CI-983 

>  <Target> (271)
Antifection

>  <Form> (271)
Free Base

>  <URL> (271)
http://www.selleckchem.com/products/Cefdinir(Omnicef).html

>  <CAS Number> (271)
91832-40-5

$$$$
LOTRIMIN (clotrimazole).cdx
csChFnd80/01151910432D

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 13  8  1  0  0  0  0
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 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
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 19 14  1  0  0  0  0
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 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
  9 25  1  0  0  0  0
M  END
>  <Mol_ID> (272)
272

>  <Formula> (272)
C22H17ClN2

>  <MolWeight> (272)
344.83678

>  <Item Name> (272)
Clotrimazole (Canesten)

>  <Catalog Number> (272)
S1606

>  <Synonyms> (272)
Lotrimin, Mycelex, Canesten

>  <Target> (272)
Antifection

>  <Form> (272)
Free Base

>  <URL> (272)
http://www.selleckchem.com/products/Clotrimazole(Canesten).html

>  <CAS Number> (272)
23593-75-1

$$$$
MAXALT (rizatriptan benzoate).cdx
csChFnd80/01151910432D

 29 31  0  0  0  0  0  0  0  0999 V2000
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   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
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   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
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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  3 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
 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
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 23 24  2  0  0  0  0
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 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> (273)
273

>  <Formula> (273)
C22H25N5O2

>  <MolWeight> (273)
391.4662

>  <Item Name> (273)
Rizatriptan Benzoate (Maxalt)

>  <Catalog Number> (273)
S1607

>  <Synonyms> (273)
MK-462, Maxalt

>  <Target> (273)
NULL

>  <Form> (273)
Benzoate

>  <URL> (273)
http://www.selleckchem.com/products/Rizatriptan-Benzoate(Maxalt).html

>  <CAS Number> (273)
145202-66-0

$$$$
MESTINON (pyridostigmine bromide).cdx
csChFnd80/01151910432D

 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
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    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
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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
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (274)
274

>  <Formula> (274)
C9H13BrN2O2

>  <MolWeight> (274)
261.11572

>  <Item Name> (274)
Pyridostigmine Bromide (Mestinon)

>  <Catalog Number> (274)
S1608

>  <Synonyms> (274)
N/A

>  <Target> (274)
AChR

>  <Form> (274)
Bromide

>  <URL> (274)
http://www.selleckchem.com/products/Pyridostigmine-Bromide(Mestinon).html

>  <CAS Number> (274)
101-26-8

$$$$
METHIMAZOLE (methimazole).cdx
csChFnd80/01151910432D

  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> (275)
275

>  <Formula> (275)
C4H6N2S

>  <MolWeight> (275)
114.16884

>  <Item Name> (275)
Methimazole (Tapazole, Northyx)

>  <Catalog Number> (275)
S1609

>  <Synonyms> (275)
Basolan, Metazolo, Thiamazole

>  <Target> (275)
Others

>  <Form> (275)
Free Base

>  <URL> (275)
http://www.selleckchem.com/products/Methimazole(Tapazole).html

>  <CAS Number> (275)
60-56-0

$$$$
METOLAZONE (metolazone).cdx
csChFnd80/01151910432D

 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
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    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
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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
  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
  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> (276)
276

>  <Formula> (276)
C16H16ClN3O3S

>  <MolWeight> (276)
365.83454

>  <Item Name> (276)
Metolazone (Zaroxolyn)

>  <Catalog Number> (276)
S1610

>  <Synonyms> (276)
Mykrox, Zaroxolyn, Diulo

>  <Target> (276)
Others

>  <Form> (276)
Free Base

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

>  <CAS Number> (276)
17560-51-9

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/01151910432D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    6.0496    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> (277)
277

>  <Formula> (277)
C29H35NO2

>  <MolWeight> (277)
429.5937

>  <Item Name> (277)
Mifepristone (Mifeprex)

>  <Catalog Number> (277)
S2606

>  <Synonyms> (277)
RU-486, Mifegyne 

>  <Target> (277)
Estrogen/progestogen Receptor

>  <Form> (277)
Free Base

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

>  <CAS Number> (277)
84371-65-3

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (278)
278

>  <Formula> (278)
C8H5F3N2OS

>  <MolWeight> (278)
234.1983096

>  <Item Name> (278)
Riluzole (Rilutek)

>  <Catalog Number> (278)
S1614

>  <Synonyms> (278)
PK-26124, RP-54274, Rilutek

>  <Target> (278)
Sodium Channel

>  <Form> (278)
Free Base

>  <URL> (278)
http://www.selleckchem.com/products/Riluzole(Rilutek).html

>  <CAS Number> (278)
1744-22-5

$$$$
Artemether.cdx
csChFnd80/01151910432D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (279)
279

>  <Formula> (279)
C16H26O5

>  <MolWeight> (279)
298.37464

>  <Item Name> (279)
Artemether

>  <Catalog Number> (279)
S2264

>  <Synonyms> (279)
SM-224, CGP 56696

>  <Target> (279)
Antifection

>  <Form> (279)
Free Base

>  <URL> (279)
http://www.selleckchem.com/products/Artemether(SM-224).html

>  <CAS Number> (279)
71963-77-4

$$$$
SULLA (sulfameter).cdx
csChFnd80/01151910432D

 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
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    7.4496    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (280)
280

>  <Formula> (280)
C11H12N4O3S

>  <MolWeight> (280)
280.30298

>  <Item Name> (280)
Sulfameter (Bayrena)

>  <Catalog Number> (280)
S1618

>  <Synonyms> (280)
Sulfamethoxydiazine, Sulfametin, Sulfametorine, Sulfamethoxine, AHR-857, Berlicid 

>  <Target> (280)
DHFR

>  <Form> (280)
Free Base

>  <URL> (280)
http://www.selleckchem.com/products/Sulfameter(Bayrena).html

>  <CAS Number> (280)
651-06-9

$$$$
Prilocaine.cdx
csChFnd80/01151910432D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (281)
281

>  <Formula> (281)
C13H20N2O

>  <MolWeight> (281)
220.3107

>  <Item Name> (281)
Prilocaine

>  <Catalog Number> (281)
S1619

>  <Synonyms> (281)
N/A

>  <Target> (281)
Sodium Channel

>  <Form> (281)
Free Base

>  <URL> (281)
http://www.selleckchem.com/products/Prilocaine.html

>  <CAS Number> (281)
721-50-6

$$$$
FERNISONE (prednisone).cdx
csChFnd80/01151910432D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (282)
282

>  <Formula> (282)
C21H26O5

>  <MolWeight> (282)
358.42814

>  <Item Name> (282)
Prednisone (Adasone)

>  <Catalog Number> (282)
S1622

>  <Synonyms> (282)
Deltasone, Liquid Pred, Orasone, Adasone

>  <Target> (282)
Glucocorticoid Receptor

>  <Form> (282)
Free Base

>  <URL> (282)
http://www.selleckchem.com/products/Prednisone.html

>  <CAS Number> (282)
53-03-2

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/01151910432D

 11 10  0  0  0  0  0  0  0  0999 V2000
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    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> (283)
283

>  <Formula> (283)
C5H9NO3S

>  <MolWeight> (283)
163.19486

>  <Item Name> (283)
Acetylcysteine

>  <Catalog Number> (283)
S1623

>  <Synonyms> (283)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (283)
AChR

>  <Form> (283)
Free Base

>  <URL> (283)
http://www.selleckchem.com/products/Acetylcysteine.html

>  <CAS Number> (283)
616-91-1

$$$$
ALESSE (ethinyl estradiol).cdx
csChFnd80/01151910432D

 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
    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
    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
  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
  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> (284)
284

>  <Formula> (284)
C20H24O2

>  <MolWeight> (284)
296.40336

>  <Item Name> (284)
Ethinyl Estradiol

>  <Catalog Number> (284)
S1625

>  <Synonyms> (284)
Ethynylestradiol

>  <Target> (284)
Estrogen/progestogen Receptor

>  <Form> (284)
Free Base

>  <URL> (284)
http://www.selleckchem.com/products/Ethinyl-Estradiol.html

>  <CAS Number> (284)
57-63-6

$$$$
Naproxen sodium.cdx
csChFnd80/01151910432D

 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> (285)
285

>  <Formula> (285)
C14H13NaO3

>  <MolWeight> (285)
252.24099

>  <Item Name> (285)
Naproxen Sodium

>  <Catalog Number> (285)
S1626

>  <Synonyms> (285)
Anaprox, Naprelan 

>  <Target> (285)
COX

>  <Form> (285)
Sodium Salt

>  <URL> (285)
http://www.selleckchem.com/products/Naproxen-Sodium(Aleve).html

>  <CAS Number> (285)
26159-34-2

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/01151910432D

 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> (286)
286

>  <Formula> (286)
C12H9N3O5S

>  <MolWeight> (286)
307.28196

>  <Item Name> (286)
Nitazoxanide (Alinia, Annita)

>  <Catalog Number> (286)
S1627

>  <Synonyms> (286)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

>  <Target> (286)
Others

>  <Form> (286)
Free Base

>  <URL> (286)
http://www.selleckchem.com/products/Nitazoxanide(Alinia).html

>  <CAS Number> (286)
55981-09-4

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/01151910432D

 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
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    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> (287)
287

>  <Formula> (287)
C24H31FO6

>  <MolWeight> (287)
434.4977432

>  <Item Name> (287)
Triamcinolone Acetonide

>  <Catalog Number> (287)
S1628

>  <Synonyms> (287)
Azmacort

>  <Target> (287)
Glucocorticoid Receptor

>  <Form> (287)
Free Base

>  <URL> (287)
http://www.selleckchem.com/products/Triamcinolone-Acetonide.html

>  <CAS Number> (287)
76-25-5 

$$$$
ALLI (orlistat).cdx
csChFnd80/01151910432D

 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> (288)
288

>  <Formula> (288)
C29H53NO5

>  <MolWeight> (288)
495.73482

>  <Item Name> (288)
Orlistat (Alli, Xenical)

>  <Catalog Number> (288)
S1629

>  <Synonyms> (288)
Tetrahydrolipstatin

>  <Target> (288)
Lipase

>  <Form> (288)
Free Base

>  <URL> (288)
http://www.selleckchem.com/products/Orlistat(Alli).html

>  <CAS Number> (288)
96829-58-2

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/01151910432D

 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> (289)
289

>  <Formula> (289)
C5H4N4NaO+

>  <MolWeight> (289)
159.10123

>  <Item Name> (289)
Allopurinol Sodium (Aloprim)

>  <Catalog Number> (289)
S1631

>  <Synonyms> (289)
 Lopurin, Zyloprim, Aloprim

>  <Target> (289)
Others

>  <Form> (289)
Sodium Salt

>  <URL> (289)
http://www.selleckchem.com/products/Allopurinol-Sodium(Aloprim).html

>  <CAS Number> (289)
17795-21-0

$$$$
ACCOLATE (zafirlukast).cdx
csChFnd80/01151910432D

 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> (290)
290

>  <Formula> (290)
C31H33N3O6S

>  <MolWeight> (290)
575.67522

>  <Item Name> (290)
Zafirlukast (Accolate)

>  <Catalog Number> (290)
S1633

>  <Synonyms> (290)
Accolate, Accoleit, Vanticon

>  <Target> (290)
LTR

>  <Form> (290)
Free Base

>  <URL> (290)
http://www.selleckchem.com/products/Zafirlukast(Accolate).html

>  <CAS Number> (290)
107753-78-6

$$$$
ACHES-N-PAIN (ibuprofen).cdx
csChFnd80/01151910432D

 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> (291)
291

>  <Formula> (291)
C13H18O2

>  <MolWeight> (291)
206.28082

>  <Item Name> (291)
Ibuprofen (Advil)

>  <Catalog Number> (291)
S1638

>  <Synonyms> (291)
Brufen, Nurofen, Motrin 

>  <Target> (291)
COX

>  <Form> (291)
Free Base

>  <URL> (291)
http://www.selleckchem.com/products/Ibuprofen(Advil).html

>  <CAS Number> (291)
15687-27-1

$$$$
ALBENZA (albendazole).cdx
csChFnd80/01151910432D

 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> (292)
292

>  <Formula> (292)
C12H15N3O2S

>  <MolWeight> (292)
265.3314

>  <Item Name> (292)
Albendazole (Albenza)

>  <Catalog Number> (292)
S1640

>  <Synonyms> (292)
Albenza, Eskazole, Zentel, Andazol 

>  <Target> (292)
Microtubule Associated

>  <Form> (292)
Free Base

>  <URL> (292)
http://www.selleckchem.com/products/Albendazole(Albenza).html

>  <CAS Number> (292)
54965-21-8

$$$$
ALDOCLOR-250 (chlorothiazide).cdx
csChFnd80/01151910432D

 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> (293)
293

>  <Formula> (293)
C7H6ClN3O4S2

>  <MolWeight> (293)
295.72324

>  <Item Name> (293)
Chlorothiazide

>  <Catalog Number> (293)
S1641

>  <Synonyms> (293)
Diuril, Chlotride

>  <Target> (293)
Others

>  <Form> (293)
Free Base

>  <URL> (293)
http://www.selleckchem.com/products/Chlorothiazide(Diuril).html

>  <CAS Number> (293)
58-94-6

$$$$
ACTIGALL (ursodiol).cdx
csChFnd80/01151910432D

 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
    7.2704    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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  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> (294)
294

>  <Formula> (294)
C24H40O4

>  <MolWeight> (294)
392.572

>  <Item Name> (294)
Ursodiol (Actigal Urso)

>  <Catalog Number> (294)
S1643

>  <Synonyms> (294)
Ursodeoxycholic acid, UDCA, Ursosan, Ursofalk, Urso Forte, Udiliv 

>  <Target> (294)
Others

>  <Form> (294)
Free Base

>  <URL> (294)
http://www.selleckchem.com/products/Ursodiol(Actigal).html

>  <CAS Number> (294)
128-13-2

$$$$
ACTIN-N (nitrofurazone).cdx
csChFnd80/01151910432D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.3950    2.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1616    1.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6650    2.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5732    3.4916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    3.2282    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    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
    8.9872    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3471    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8690    4.6109    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  1  1  0  0  0  0
  1  6  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 11  1  0  0  0  0
 10 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
M  END
>  <Mol_ID> (295)
295

>  <Formula> (295)
C6H6N4O4

>  <MolWeight> (295)
198.13624

>  <Item Name> (295)
Nitrofurazone (Nitrofural)

>  <Catalog Number> (295)
S1644

>  <Synonyms> (295)
Nitrofural, Furacilin, ACTIN-N, Otofuran 

>  <Target> (295)
Antifection

>  <Form> (295)
Free Base

>  <URL> (295)
http://www.selleckchem.com/products/Nitrofurazone(ACTIN-N).html

>  <CAS Number> (295)
59-87-0

$$$$
ACTRON (ketoprofen).cdx
csChFnd80/01151910432D

 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
    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 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
    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
    8.4744    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    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
   10.8909    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    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  1  0  0  0  0
  7  9  2  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
 13 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
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (296)
296

>  <Formula> (296)
C16H14O3

>  <MolWeight> (296)
254.28056

>  <Item Name> (296)
Ketoprofen (Actron)

>  <Catalog Number> (296)
S1645

>  <Synonyms> (296)
Orudis, Oruvail 

>  <Target> (296)
COX

>  <Form> (296)
Free Base

>  <URL> (296)
http://www.selleckchem.com/products/Ketoprofen(Actron).html

>  <CAS Number> (296)
22071-15-4

$$$$
Adenosine.cdx
csChFnd80/01151910432D

 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
    2.4032    2.7240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6943    1.3546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0866    1.2082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
    1.7608    0.3178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7842    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3730    3.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4463    4.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1393    5.0394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2582    3.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5471    2.3771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7946    3.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  5  7  1  1  0  0  0
  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
 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
 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
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (297)
297

>  <Formula> (297)
C10H13N5O4

>  <MolWeight> (297)
267.24132

>  <Item Name> (297)
Adenosine (Adenocard)

>  <Catalog Number> (297)
S1647

>  <Synonyms> (297)
Adenocard

>  <Target> (297)
Others

>  <Form> (297)
Free Base

>  <URL> (297)
http://www.selleckchem.com/products/Adenosine(Adenocard).html

>  <CAS Number> (297)
58-61-7

$$$$
Artemisinin.cdx
csChFnd80/01151910432D

 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
    4.3973    5.4860    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2405    6.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9027    5.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7632    3.4825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9200    4.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8153    5.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5540    6.2747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3973    6.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4497    7.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    1.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1512    2.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9757    2.7825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3636    1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6037    5.2588    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  1  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  5  1  0  0  0  0
  5 12  1  6  0  0  0
 11 13  1  6  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  8  1  0  0  0  0
  8 17  1  6  0  0  0
 16 18  1  1  0  0  0
 15 19  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  6  0  0  0
 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> (298)
298

>  <Formula> (298)
C15H22O5

>  <MolWeight> (298)
282.33218

>  <Item Name> (298)
Artemisinin

>  <Catalog Number> (298)
S1282

>  <Synonyms> (298)
Qinghaosu

>  <Target> (298)
Antifection

>  <Form> (298)
Free Base

>  <URL> (298)
http://www.selleckchem.com/products/Artemisinin.html

>  <CAS Number> (298)
63968-64-9

$$$$
Artesunate.cdx
csChFnd80/01151910432D

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.5918    3.4838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2242    3.1843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7998    1.8501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7430    0.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106    1.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5350    2.4491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2103    4.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6140    6.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2519    6.3299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1497    5.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1374    4.0667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9903    3.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9026    2.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7698    3.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3454    2.4331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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C19H28O8

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Artesunate

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S2265

>  <Synonyms> (299)
N/A

>  <Target> (299)
STAT

>  <Form> (299)
Free Base

>  <URL> (299)
http://www.selleckchem.com/products/Artesunate.html

>  <CAS Number> (299)
88495-63-0

$$$$
AT101.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (300)
300

>  <Formula> (300)
C32H34O10

>  <MolWeight> (300)
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>  <Item Name> (300)
AT101

>  <Catalog Number> (300)
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>  <Synonyms> (300)
N/A

>  <Target> (300)
Bcl-2

>  <Form> (300)
Free Base

>  <URL> (300)
http://www.selleckchem.com/products/at101.html

>  <CAS Number> (300)
866541-93-7

$$$$
ZOMIG (zolmitriptan).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (301)
301

>  <Formula> (301)
C16H21N3O2

>  <MolWeight> (301)
287.35684

>  <Item Name> (301)
Zolmitriptan (Zomig)

>  <Catalog Number> (301)
S1649

>  <Synonyms> (301)
Zomig, Zomigon, AscoTopand, Zomigoro 

>  <Target> (301)
5-HT Receptor

>  <Form> (301)
Free Base

>  <URL> (301)
http://www.selleckchem.com/products/Zolmitriptan(Zomig).html

>  <CAS Number> (301)
139264-17-8

$$$$
TYZEKA (telbivudine).cdx
csChFnd80/01151910432D

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302

>  <Formula> (302)
C10H14N2O5

>  <MolWeight> (302)
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>  <Item Name> (302)
Telbivudine (Sebivo, Tyzeka)

>  <Catalog Number> (302)
S1651

>  <Synonyms> (302)
N/A

>  <Target> (302)
Reverse Transcriptase

>  <Form> (302)
Free Base

>  <URL> (302)
http://www.selleckchem.com/products/Telbivudine(Sebivo).html

>  <CAS Number> (302)
3424-98-4

$$$$
BENOQUIN (monobenzone).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (303)
303

>  <Formula> (303)
C13H12O2

>  <MolWeight> (303)
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>  <Item Name> (303)
Monobenzone (Benoquin)

>  <Catalog Number> (303)
S1652

>  <Synonyms> (303)
Benoquin

>  <Target> (303)
Tyrosinase

>  <Form> (303)
Free Base

>  <URL> (303)
http://www.selleckchem.com/products/Monobenzone(Benoquin).html

>  <CAS Number> (303)
103-16-2

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/01151910432D

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    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
   14.5619    2.1049    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
   10.9204    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2073    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
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  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  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
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (304)
304

>  <Formula> (304)
C20H28O2

>  <MolWeight> (304)
300.43512

>  <Item Name> (304)
All-trans Retinoic Acid (Tretinoin)

>  <Catalog Number> (304)
S1653

>  <Synonyms> (304)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (304)
Retinoid Receptor

>  <Form> (304)
Free Base

>  <URL> (304)
http://www.selleckchem.com/products/Tretinoin(Aberela).html

>  <CAS Number> (304)
302-79-4

$$$$
AZOLID (phenylbutazone).cdx
csChFnd80/01151910432D

 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
  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
  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> (305)
305

>  <Formula> (305)
C19H20N2O2

>  <MolWeight> (305)
308.3743

>  <Item Name> (305)
Phenylbutazone (Butazolidin, Butatron)

>  <Catalog Number> (305)
S1654

>  <Synonyms> (305)
Bute, Butazolidin, Butatron 

>  <Target> (305)
COX

>  <Form> (305)
Free Base

>  <URL> (305)
http://www.selleckchem.com/products/Phenylbutazone(Butazolidin).html

>  <CAS Number> (305)
50-33-9

$$$$
EZETIMIBE (ezetimibe).cdx
csChFnd80/01151910432D

 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
    9.8702    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8702    4.2000    0.0000 C   0  0  2  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
    7.4837    1.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (306)
306

>  <Formula> (306)
C24H21F2NO3

>  <MolWeight> (306)
409.4252464

>  <Item Name> (306)
Ezetimibe (Zetia)

>  <Catalog Number> (306)
S1655

>  <Synonyms> (306)
Zetia, Ezetrol

>  <Target> (306)
Others

>  <Form> (306)
Free Base

>  <URL> (306)
http://www.selleckchem.com/products/Ezetimibe(Zetia).html

>  <CAS Number> (306)
163222-33-1

$$$$
TIKOSYN (dofetilide).cdx
csChFnd80/01151910432D

 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
   18.1445    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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> (307)
307

>  <Formula> (307)
C19H27N3O5S2

>  <MolWeight> (307)
441.56478

>  <Item Name> (307)
Dofetilide (Tikosyn)

>  <Catalog Number> (307)
S1658

>  <Synonyms> (307)
Tikosyn, UK68798

>  <Target> (307)
Potassium Channel

>  <Form> (307)
Free Base

>  <URL> (307)
http://www.selleckchem.com/products/Dofetilide(Tikosyn).html

>  <CAS Number> (307)
115256-11-6

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/01151910432D

 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
    3.6289    0.0000    0.0000 N   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
    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 O   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    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    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
    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
    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
 24 26  1  0  0  0  0
 22 27  2  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (308)
308

>  <Formula> (308)
C19H21N3O5

>  <MolWeight> (308)
371.38714

>  <Item Name> (308)
Isradipine (Dynacirc)

>  <Catalog Number> (308)
S1662

>  <Synonyms> (308)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin 

>  <Target> (308)
Calcium Channel

>  <Form> (308)
Free Base

>  <URL> (308)
http://www.selleckchem.com/products/Isradipine(Dynacirc).html

>  <CAS Number> (308)
75695-93-1

$$$$
ESTROGENIC SUBSTANCE (estrone).cdx
csChFnd80/01151910432D

 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  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    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
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  9 11  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  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> (309)
309

>  <Formula> (309)
C18H22O2

>  <MolWeight> (309)
270.36608

>  <Item Name> (309)
Estrone

>  <Catalog Number> (309)
S1665

>  <Synonyms> (309)
Oestrone

>  <Target> (309)
Estrogen/progestogen Receptor

>  <Form> (309)
Free Base

>  <URL> (309)
http://www.selleckchem.com/products/Estrone.html

>  <CAS Number> (309)
53-16-7 

$$$$
ANCOBON (flucytosine).cdx
csChFnd80/01151910432D

  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
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  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> (310)
310

>  <Formula> (310)
C4H4FN3O

>  <MolWeight> (310)
129.0924632

>  <Item Name> (310)
Flucytosine (Ancobon)

>  <Catalog Number> (310)
S1666

>  <Synonyms> (310)
5-fluorocytosine, Ancotil

>  <Target> (310)
Antifection

>  <Form> (310)
Free Base

>  <URL> (310)
http://www.selleckchem.com/products/Flucytosine(Ancobon).html

>  <CAS Number> (310)
2022-85-7

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/01151910432D

 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
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    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
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    7.1503   10.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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> (311)
311

>  <Formula> (311)
C24H31ClO7

>  <MolWeight> (311)
466.95174

>  <Item Name> (311)
Loteprednol etabonate

>  <Catalog Number> (311)
S1669

>  <Synonyms> (311)
Alrex, Lotemax

>  <Target> (311)
Glucocorticoid Receptor

>  <Form> (311)
Free Base

>  <URL> (311)
http://www.selleckchem.com/products/Loteprednol-etabonate.html

>  <CAS Number> (311)
82034-46-6

$$$$
AMINOCAPROIC ACID (aminocaproic acid).cdx
csChFnd80/01151910432D

  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> (312)
312

>  <Formula> (312)
C6H13NO2

>  <MolWeight> (312)
131.17292

>  <Item Name> (312)
£¨6-£©¦Å-Aminocaproic acid 

>  <Catalog Number> (312)
S1671

>  <Synonyms> (312)
Amicar, ¦Å-amino caproic acid, ¦Å-Ahx, 6-aminohexanoic acid

>  <Target> (312)
Others

>  <Form> (312)
Free Base

>  <URL> (312)
http://www.selleckchem.com/products/Aminocaproic-acid(Amicar).html

>  <CAS Number> (312)
60-32-2

$$$$
Pregnenolone.cdx
csChFnd80/01151910432D

 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
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   10.3977    6.2495    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
    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
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C21H32O2

>  <MolWeight> (313)
316.47758

>  <Item Name> (313)
Pregnenolone

>  <Catalog Number> (313)
S1914

>  <Synonyms> (313)
N/A

>  <Target> (313)
Estrogen/progestogen Receptor

>  <Form> (313)
Free Base

>  <URL> (313)
http://www.selleckchem.com/products/pregnenolone.html

>  <CAS Number> (313)
145-13-1

$$$$
AMINOPHYLLINE (aminophylline).cdx
csChFnd80/01151910432D

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    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
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    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
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    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
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    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> (314)
314

>  <Formula> (314)
C16H24N10O4

>  <MolWeight> (314)
420.42636

>  <Item Name> (314)
Aminophylline (Truphylline)

>  <Catalog Number> (314)
S1673

>  <Synonyms> (314)
Somopphyllin, Aminocadol, Phyllocontin 

>  <Target> (314)
PDE

>  <Form> (314)
Ethylenediamine

>  <URL> (314)
http://www.selleckchem.com/products/Aminophylline(Truphylline).html

>  <CAS Number> (314)
317-34-0 

$$$$
Amorolfine Hydrochloride.cdx
csChFnd80/01151910432D

 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> (315)
315

>  <Formula> (315)
C21H36ClNO

>  <MolWeight> (315)
353.96964

>  <Item Name> (315)
Amorolfine Hydrochloride

>  <Catalog Number> (315)
S1676

>  <Synonyms> (315)
Amorolfin, Curanail, Loceryl, Locetar, Odenil 

>  <Target> (315)
Antifection

>  <Form> (315)
Hydrochloride

>  <URL> (315)
http://www.selleckchem.com/products/Amorolfine-Hydrochloride.html

>  <CAS Number> (315)
78613-38-4

$$$$
AMPHICOL (chloramphenicol).cdx
csChFnd80/01151910432D

 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> (316)
316

>  <Formula> (316)
C11H12Cl2N2O5

>  <MolWeight> (316)
323.12938

>  <Item Name> (316)
Chloramphenicol (Chloromycetin)

>  <Catalog Number> (316)
S1677

>  <Synonyms> (316)
Alficetyn, Chlornitromycin, Chloromycetin 

>  <Target> (316)
Antifection

>  <Form> (316)
Free Base

>  <URL> (316)
http://www.selleckchem.com/products/Chloramphenicol(Chloromycetin).html

>  <CAS Number> (316)
56-75-7

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/01151910432D

 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
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  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> (317)
317

>  <Formula> (317)
C10H20N2S4

>  <MolWeight> (317)
296.5392

>  <Item Name> (317)
Disulfiram (Antabuse)

>  <Catalog Number> (317)
S1680

>  <Synonyms> (317)
Antabuse, Antabus

>  <Target> (317)
Dehydrogenase

>  <Form> (317)
Free Base

>  <URL> (317)
http://www.selleckchem.com/products/Disulfiram(Antabuse).html

>  <CAS Number> (317)
97-77-8

$$$$
APRISO (mesalamine).cdx
csChFnd80/01151910432D

 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> (318)
318

>  <Formula> (318)
C7H7NO3

>  <MolWeight> (318)
153.13538

>  <Item Name> (318)
Mesalamine (Lialda)

>  <Catalog Number> (318)
S1681

>  <Synonyms> (318)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (318)
I¦ÊB/IKK

>  <Form> (318)
Free Base

>  <URL> (318)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

>  <CAS Number> (318)
89-57-6

$$$$
ATROVENT HFA (ipratropium bromide).cdx
csChFnd80/01151910432D

 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> (319)
319

>  <Formula> (319)
C20H30BrNO3

>  <MolWeight> (319)
412.3611

>  <Item Name> (319)
Ipratropium bromide

>  <Catalog Number> (319)
S1683

>  <Synonyms> (319)
Atrovent, Apovent, Aerovent

>  <Target> (319)
AChR

>  <Form> (319)
Bromide

>  <URL> (319)
http://www.selleckchem.com/products/Ipratropium-bromide.html

>  <CAS Number> (319)
22254-24-6

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/01151910432D

 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> (320)
320

>  <Formula> (320)
C22H28O5

>  <MolWeight> (320)
372.45472

>  <Item Name> (320)
Betapar (Meprednisone)

>  <Catalog Number> (320)
S1689

>  <Synonyms> (320)
Betanisona

>  <Target> (320)
Glucocorticoid Receptor

>  <Form> (320)
Free Base

>  <URL> (320)
http://www.selleckchem.com/products/Betapar(Meprednisone).html

>  <CAS Number> (320)
1247-42-3

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/01151910432D

 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> (321)
321

>  <Formula> (321)
C27H37FO6

>  <MolWeight> (321)
476.5774832

>  <Item Name> (321)
Betamethasone valerate (Betnovate)

>  <Catalog Number> (321)
S1690

>  <Synonyms> (321)
Betnovate, Celestone, Betaderm, Luxiq

>  <Target> (321)
Glucocorticoid Receptor

>  <Form> (321)
Free Base

>  <URL> (321)
http://www.selleckchem.com/products/Betamethasone-valerate(Betnovate).html

>  <CAS Number> (321)
2152-44-5 

$$$$
BILTRICIDE (praziquantel).cdx
csChFnd80/01151910432D

 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> (322)
322

>  <Formula> (322)
C19H24N2O2

>  <MolWeight> (322)
312.40606

>  <Item Name> (322)
Praziquantel (Biltricide)

>  <Catalog Number> (322)
S1691

>  <Synonyms> (322)
Droncit

>  <Target> (322)
Antifection

>  <Form> (322)
Free Base

>  <URL> (322)
http://www.selleckchem.com/products/Praziquantel(Biltricide).html

>  <CAS Number> (322)
55268-74-1

$$$$
BUSULFEX (busulfan).cdx
csChFnd80/01151910432D

 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> (323)
323

>  <Formula> (323)
C6H14O6S2

>  <MolWeight> (323)
246.30176

>  <Item Name> (323)
Busulfan (Myleran, Busulfex)

>  <Catalog Number> (323)
S1692

>  <Synonyms> (323)
Myleran, Busulfex

>  <Target> (323)
NULL

>  <Form> (323)
Free Base

>  <URL> (323)
http://www.selleckchem.com/products/Busulfan(Busulfex).html

>  <CAS Number> (323)
55-98-1

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/01151910432D

 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> (324)
324

>  <Formula> (324)
C15H12N2O

>  <MolWeight> (324)
236.26858

>  <Item Name> (324)
Carbamazepine (Carbatrol)

>  <Catalog Number> (324)
S1693

>  <Synonyms> (324)
Equetro, Tegretol, Biston 

>  <Target> (324)
Autophagy,Sodium Channel

>  <Form> (324)
Free Base

>  <URL> (324)
http://www.selleckchem.com/products/Carbamazepine(Carbatrol).html

>  <CAS Number> (324)
298-46-4

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/01151910432D

 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> (325)
325

>  <Formula> (325)
C21H30O5

>  <MolWeight> (325)
362.4599

>  <Item Name> (325)
Hydrocortisone (Cortisol)

>  <Catalog Number> (325)
S1696

>  <Synonyms> (325)
Cortisol

>  <Target> (325)
Glucocorticoid Receptor

>  <Form> (325)
Free Base

>  <URL> (325)
http://www.selleckchem.com/products/Hydrocortisone.html

>  <CAS Number> (325)
50-23-7

$$$$
DESOWEN (desonide).cdx
csChFnd80/01151910432D

 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> (326)
326

>  <Formula> (326)
C24H32O6

>  <MolWeight> (326)
416.50728

>  <Item Name> (326)
Desonide

>  <Catalog Number> (326)
S1701

>  <Synonyms> (326)
Locapred, Topifug, Tridesilon

>  <Target> (326)
Glucocorticoid Receptor

>  <Form> (326)
Free Base

>  <URL> (326)
http://www.selleckchem.com/products/Desonide.html

>  <CAS Number> (326)
638-94-8

$$$$
DIDANOSINE (didanosine).cdx
csChFnd80/01151910432D

 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> (327)
327

>  <Formula> (327)
C10H12N4O3

>  <MolWeight> (327)
236.22728

>  <Item Name> (327)
Didanosine (Videx)

>  <Catalog Number> (327)
S1702

>  <Synonyms> (327)
Videx EC 

>  <Target> (327)
NULL

>  <Form> (327)
Free Base

>  <URL> (327)
http://www.selleckchem.com/products/Didanosine(Videx).html

>  <CAS Number> (327)
69655-05-6

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/01151910432D

 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> (328)
328

>  <Formula> (328)
C16H31NaO4

>  <MolWeight> (328)
310.40471

>  <Item Name> (328)
Divalproex sodium

>  <Catalog Number> (328)
S1703

>  <Synonyms> (328)
Depakote, Epival

>  <Target> (328)
HDAC

>  <Form> (328)
Sodium Salt

>  <URL> (328)
http://www.selleckchem.com/products/Divalproex-sodium.html

>  <CAS Number> (328)
76584-70-8

$$$$
ENDOMETRIN (progesterone).cdx
csChFnd80/01151910432D

 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> (329)
329

>  <Formula> (329)
C21H30O2

>  <MolWeight> (329)
314.4617

>  <Item Name> (329)
Progesterone (Prometrium)

>  <Catalog Number> (329)
S1705

>  <Synonyms> (329)
Prometrium, Agolutin, Corlutin

>  <Target> (329)
Estrogen/progestogen Receptor

>  <Form> (329)
Free Base

>  <URL> (329)
http://www.selleckchem.com/products/Progesterone(Prometrium).html

>  <CAS Number> (329)
57-83-0

$$$$
EPIVIR (lamivudine).cdx
csChFnd80/01151910432D

 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> (330)
330

>  <Formula> (330)
C8H11N3O3S

>  <MolWeight> (330)
229.25624

>  <Item Name> (330)
Lamivudine (Epivir)

>  <Catalog Number> (330)
S1706

>  <Synonyms> (330)
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV 

>  <Target> (330)
Reverse Transcriptase

>  <Form> (330)
Free Base

>  <URL> (330)
http://www.selleckchem.com/products/Lamivudine(Epivir).html

>  <CAS Number> (330)
134678-17-4

$$$$
estradiol.cdx
csChFnd80/01151910432D

 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> (331)
331

>  <Formula> (331)
C18H24O2

>  <MolWeight> (331)
272.38196

>  <Item Name> (331)
Estradiol

>  <Catalog Number> (331)
S1709

>  <Synonyms> (331)
17¦Â-estradiol, oestradiol, 17¦Â-Oestradiol, ¦Â-Estradiol 

>  <Target> (331)
Estrogen/progestogen Receptor

>  <Form> (331)
Free Base

>  <URL> (331)
http://www.selleckchem.com/products/Estradiol.html

>  <CAS Number> (331)
50-28-2

$$$$
EXJADE (deferasirox).cdx
csChFnd80/01151910432D

 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
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    1.4837    8.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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 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> (332)
332

>  <Formula> (332)
C21H15N3O4

>  <MolWeight> (332)
373.3615

>  <Item Name> (332)
Deferasirox (Exjade)

>  <Catalog Number> (332)
S1712

>  <Synonyms> (332)
Exjade, ICL-670, ICL-670A, CGP-72670 

>  <Target> (332)
P450 (e.g. CYP17)

>  <Form> (332)
Free Base

>  <URL> (332)
http://www.selleckchem.com/products/Deferasirox(Exjade).html

>  <CAS Number> (332)
201530-41-8

$$$$
FELDENE (piroxicam).cdx
csChFnd80/01151910432D

 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
    0.0000    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    5.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5620    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
  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
  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
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 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> (333)
333

>  <Formula> (333)
C15H13N3O4S

>  <MolWeight> (333)
331.34642

>  <Item Name> (333)
Piroxicam (Feldene)

>  <Catalog Number> (333)
S1713

>  <Synonyms> (333)
Roxam

>  <Target> (333)
COX 

>  <Form> (333)
Free Base

>  <URL> (333)
http://www.selleckchem.com/products/Piroxicam(Feldene).html

>  <CAS Number> (333)
36322-90-4

$$$$
GLIPIZIDE (glipizide).cdx
csChFnd80/01151910432D

 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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    2.4249    6.2951    0.0000 C   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
 11 12  1  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 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
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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 24  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (334)
334

>  <Formula> (334)
C21H27N5O4S

>  <MolWeight> (334)
445.53518

>  <Item Name> (334)
Glipizide (Glucotrol)

>  <Catalog Number> (334)
S1715

>  <Synonyms> (334)
Glucotrol XL 

>  <Target> (334)
Others

>  <Form> (334)
Free Base

>  <URL> (334)
http://www.selleckchem.com/products/Glipizide(Glucotrol).html

>  <CAS Number> (334)
29094-61-9

$$$$
GLYBURIDE (glyburide).cdx
csChFnd80/01151910432D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C23H28ClN3O5S

>  <MolWeight> (335)
494.00352

>  <Item Name> (335)
Glyburide (Glibenclamide)

>  <Catalog Number> (335)
S1716

>  <Synonyms> (335)
Glibenclamide, Glycron, Glynase, Micronase, Daonil, Semi-Daonil, Euglucon, Delmide 

>  <Target> (335)
Potassium Channel

>  <Form> (335)
Free Base

>  <URL> (335)
http://www.selleckchem.com/products/Glyburide(Diabeta).html

>  <CAS Number> (335)
10238-21-8 

$$$$
HEPSERA (adefovir dipivoxil).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C20H32N5O8P

>  <MolWeight> (336)
501.470541

>  <Item Name> (336)
Adefovir Dipivoxil (Preveon, Hepsera)

>  <Catalog Number> (336)
S1718

>  <Synonyms> (336)
Bis-POM PMEA, Preveon, Hepsera 

>  <Target> (336)
Reverse Transcriptase

>  <Form> (336)
Free Base

>  <URL> (336)
http://www.selleckchem.com/products/Adefovir-Dipivoxil(Preveon).html

>  <CAS Number> (336)
142340-99-6

$$$$
HIVID (zalcitabine).cdx
csChFnd80/01151910432D

 15 16  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> (337)
337

>  <Formula> (337)
C9H13N3O3

>  <MolWeight> (337)
211.21782

>  <Item Name> (337)
Zalcitabine

>  <Catalog Number> (337)
S1719

>  <Synonyms> (337)
Hivid, Dideoxycytidine 

>  <Target> (337)
Reverse Transcriptase

>  <Form> (337)
Free Base

>  <URL> (337)
http://www.selleckchem.com/products/Zalcitabine.html

>  <CAS Number> (337)
7481-89-2

$$$$
IMURAN (azathioprine).cdx
csChFnd80/01151910432D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C9H7N7O2S

>  <MolWeight> (338)
277.26258

>  <Item Name> (338)
Azathioprine (Azasan, Imuran)

>  <Catalog Number> (338)
S1721

>  <Synonyms> (338)
Azasan, Imuran, Azamun, BW-57-322, NSC-39084 

>  <Target> (338)
Rho

>  <Form> (338)
Free Base

>  <URL> (338)
http://www.selleckchem.com/products/Azathioprine(Azasan).html

>  <CAS Number> (338)
446-86-6

$$$$
INDOCIN (indomethacin).cdx
csChFnd80/01151910432D

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 23 18  1  0  0  0  0
 17 24  2  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (339)
339

>  <Formula> (339)
C19H16ClNO4

>  <MolWeight> (339)
357.78764

>  <Item Name> (339)
Indomethacin (Indocid, Indocin)

>  <Catalog Number> (339)
S1723

>  <Synonyms> (339)
Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin

>  <Target> (339)
COX

>  <Form> (339)
Free Base

>  <URL> (339)
http://www.selleckchem.com/products/Indomethacin(Indocid).html

>  <CAS Number> (339)
53-86-1

$$$$
Levonorgestrel.cdx
csChFnd80/01151910432D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    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
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  1  2  1  0  0  0  0
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  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
 17 22  1  1  0  0  0
 10 23  1  6  0  0  0
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 21 27  1  0  0  0  0
M  END
>  <Mol_ID> (340)
340

>  <Formula> (340)
C21H28O2

>  <MolWeight> (340)
312.44582

>  <Item Name> (340)
Levonorgestrel (Levonelle)

>  <Catalog Number> (340)
S1727

>  <Synonyms> (340)
Levonelle, D-Norgestrel, Levonova

>  <Target> (340)
Estrogen/progestogen Receptor

>  <Form> (340)
Free Base

>  <URL> (340)
http://www.selleckchem.com/products/Levonorgestrel(Levonelle).html

>  <CAS Number> (340)
797-63-7

$$$$
LOPID (gemfibrozil).cdx
csChFnd80/01151910432D

 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
    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 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
    3.6458    4.2073    0.0000 O   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
    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
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    9.7079    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 13 17  1  0  0  0  0
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M  END
>  <Mol_ID> (341)
341

>  <Formula> (341)
C15H22O3

>  <MolWeight> (341)
250.33338

>  <Item Name> (341)
Gemfibrozil (Lopid)

>  <Catalog Number> (341)
S1729

>  <Synonyms> (341)
Gemcor, Lopid, Jezil, Gen-Fibro

>  <Target> (341)
PPAR

>  <Form> (341)
Free Base

>  <URL> (341)
http://www.selleckchem.com/products/Gemfibrozil(Lopid).html

>  <CAS Number> (341)
25812-30-0

$$$$
LOZOL (indapamide).cdx
csChFnd80/01151910432D

 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
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 23 17  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (342)
342

>  <Formula> (342)
C16H16ClN3O3S

>  <MolWeight> (342)
365.83454

>  <Item Name> (342)
Indapamide (Lozol)

>  <Catalog Number> (342)
S1730

>  <Synonyms> (342)
Arifon, Fludex, Noranat, Veroxil, Tertensif

>  <Target> (342)
Others

>  <Form> (342)
Free Base

>  <URL> (342)
http://www.selleckchem.com/products/Indapamide(Lozol).html

>  <CAS Number> (342)
26807-65-8

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/01151910432D

 30 33  0  0  0  0  0  0  0  0999 V2000
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    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
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  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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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
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M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C22H30O5

>  <MolWeight> (343)
374.4706

>  <Item Name> (343)
Methylprednisolone

>  <Catalog Number> (343)
S1733

>  <Synonyms> (343)
Medrol, Solu-Medrol, Medrone

>  <Target> (343)
Glucocorticoid Receptor

>  <Form> (343)
Free Base

>  <URL> (343)
http://www.selleckchem.com/products/Methylprednisolone.html

>  <CAS Number> (343)
83-43-2

$$$$
MELOXICAM (meloxicam).cdx
csChFnd80/01151910432D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   10.8652    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 14  2  0  0  0  0
  1 15  1  0  0  0  0
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 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> (344)
344

>  <Formula> (344)
C14H13N3O4S2

>  <MolWeight> (344)
351.40072

>  <Item Name> (344)
Meloxicam (Mobic)

>  <Catalog Number> (344)
S1734

>  <Synonyms> (344)
Metacam, Parocin 

>  <Target> (344)
COX

>  <Form> (344)
Free Base

>  <URL> (344)
http://www.selleckchem.com/products/Meloxicam(Mobic).html

>  <CAS Number> (344)
71125-38-7

$$$$
Mesna.cdx
csChFnd80/01151910432D

  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> (345)
345

>  <Formula> (345)
C2H5NaO3S2

>  <MolWeight> (345)
164.17907

>  <Item Name> (345)
Mesna (Uromitexan, Mesnex)

>  <Catalog Number> (345)
S1735

>  <Synonyms> (345)
Uromitexan, Mesnex

>  <Target> (345)
Others

>  <Form> (345)
Sodium Salt

>  <URL> (345)
http://www.selleckchem.com/products/Mesna(Uromitexan).html

>  <CAS Number> (345)
19767-45-4

$$$$
METHOCARBAMOL (methocarbamol).cdx
csChFnd80/01151910432D

 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> (346)
346

>  <Formula> (346)
C11H15NO5

>  <MolWeight> (346)
241.2405

>  <Item Name> (346)
Methocarbamol (Robaxin)

>  <Catalog Number> (346)
S1736

>  <Synonyms> (346)
Robaxin

>  <Target> (346)
Carbonic Anhydrase

>  <Form> (346)
Free Base

>  <URL> (346)
http://www.selleckchem.com/products/Methocarbamol(Robaxin).html

>  <CAS Number> (346)
532-03-6

$$$$
MICARDIS (telmisartan).cdx
csChFnd80/01151910432D

 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
    1.2082    8.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    7.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    3.3025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1995    1.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5975    1.8769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0993    3.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0113    4.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4063    3.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6253    5.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5373    5.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2303    5.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3215    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9435    1.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555    7.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0029    7.9630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7839    9.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4012    9.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7656    8.3174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 10  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
 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
 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 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
 24 29  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
 33 29  2  0  0  0  0
 31 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 30 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C33H30N4O2

>  <MolWeight> (347)
514.6169

>  <Item Name> (347)
Telmisartan (Micardis)

>  <Catalog Number> (347)
S1738

>  <Synonyms> (347)
Targit

>  <Target> (347)
RAAS

>  <Form> (347)
Free Base

>  <URL> (347)
http://www.selleckchem.com/products/Telmisartan(Micardis).html

>  <CAS Number> (347)
144701-48-4

$$$$
MINTEZOL (thiabendazole).cdx
csChFnd80/01151910432D

 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
    2.0694    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0409    6.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C10H7N3S

>  <MolWeight> (348)
201.24768

>  <Item Name> (348)
Thiabendazole

>  <Catalog Number> (348)
S1739

>  <Synonyms> (348)
Mintezol, Equizole

>  <Target> (348)
P450 (e.g. CYP17)

>  <Form> (348)
Free Base

>  <URL> (348)
http://www.selleckchem.com/products/Thiabendazole.html

>  <CAS Number> (348)
148-79-8

$$$$
MUCINEX (guaifenesin).cdx
csChFnd80/01151910432D

 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> (349)
349

>  <Formula> (349)
C10H14O4

>  <MolWeight> (349)
198.21576

>  <Item Name> (349)
Guaifenesin (Guaiphenesin)

>  <Catalog Number> (349)
S1740

>  <Synonyms> (349)
Guaiphenesin, Glyceryl guaiacolate

>  <Target> (349)
Others

>  <Form> (349)
Free Base

>  <URL> (349)
http://www.selleckchem.com/products/Guaifenesin(Guaiphenesin).html

>  <CAS Number> (349)
93-14-1

$$$$
NEVIRAPINE (nevirapine).cdx
csChFnd80/01151910432D

 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
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    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> (350)
350

>  <Formula> (350)
C15H14N4O

>  <MolWeight> (350)
266.29786

>  <Item Name> (350)
Nevirapine (Viramune)

>  <Catalog Number> (350)
S1742

>  <Synonyms> (350)
Viramune, BI-RG 587

>  <Target> (350)
Reverse Transcriptase

>  <Form> (350)
Free Base

>  <URL> (350)
http://www.selleckchem.com/products/Nevirapine(Viramune).html

>  <CAS Number> (350)
129618-40-2

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/01151910432D

 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
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 12  7  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (351)
351

>  <Formula> (351)
C21H26N2O7

>  <MolWeight> (351)
418.44034

>  <Item Name> (351)
Nimodipine (Nimotop)

>  <Catalog Number> (351)
S1747

>  <Synonyms> (351)
Nimotop

>  <Target> (351)
Autophagy,Calcium Channel

>  <Form> (351)
Free Base

>  <URL> (351)
http://www.selleckchem.com/products/Nimodipine(Nimotop).html

>  <CAS Number> (351)
66085-59-4

$$$$
Pitavastatin calcium.cdx
csChFnd80/01151910432D

 63 68  0  0  0  0  0  0  0  0999 V2000
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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C50H46CaF2N2O8

>  <MolWeight> (352)
880.9836464

>  <Item Name> (352)
Pitavastatin calcium (Livalo)

>  <Catalog Number> (352)
S1759

>  <Synonyms> (352)
Livalo

>  <Target> (352)
HMG-CoA Reductase

>  <Form> (352)
Calcium salt

>  <URL> (352)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

>  <CAS Number> (352)
147526-32-7

$$$$
PYRAZINAMIDE (pyrazinamide).cdx
csChFnd80/01151910432D

  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
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  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C5H5N3O

>  <MolWeight> (353)
123.1127

>  <Item Name> (353)
Pyrazinamide (Pyrazinoic acid amide)

>  <Catalog Number> (353)
S1762

>  <Synonyms> (353)
Pezetamid, Pyrafat, Zinamide, Tebrazid, Pyrafat 

>  <Target> (353)
Antifection

>  <Form> (353)
Free Base

>  <URL> (353)
http://www.selleckchem.com/products/Pyrazinamide(Pyrazinoic-acid-amide).html

>  <CAS Number> (353)
98-96-4

$$$$
QUETIAPINE FUMARATE (quetiapine fumarate).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C46H54N6O8S2

>  <MolWeight> (354)
883.08636

>  <Item Name> (354)
Quetiapine fumarate (Seroquel)

>  <Catalog Number> (354)
S1763

>  <Synonyms> (354)
ICI-204636, ZD 5077, ZM 204636, Seroquel XR 

>  <Target> (354)
Dopamine Receptor

>  <Form> (354)
Fumarate

>  <URL> (354)
http://www.selleckchem.com/products/Quetiapine-fumarate(Seroquel).html

>  <CAS Number> (354)
111974-72-2

$$$$
SPECTRACEF (cefditoren pivoxil).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C25H28N6O7S3

>  <MolWeight> (355)
620.72082

>  <Item Name> (355)
Cefditoren pivoxil

>  <Catalog Number> (355)
S1768

>  <Synonyms> (355)
Spectracef , Meiact

>  <Target> (355)
5-alpha Reductase 

>  <Form> (355)
Free Base

>  <URL> (355)
http://www.selleckchem.com/products/Cefditoren-pivoxil.html

>  <CAS Number> (355)
117467-28-4 

$$$$
SULFADIAZINE (sulfadiazine).cdx
csChFnd80/01151910432D

 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
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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
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M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C10H10N4O2S

>  <MolWeight> (356)
250.277

>  <Item Name> (356)
Sulfadiazine

>  <Catalog Number> (356)
S1770

>  <Synonyms> (356)
Adiazin, Adiazine, Debenal, Liquadiazine

>  <Target> (356)
Antifection

>  <Form> (356)
Free Base

>  <URL> (356)
http://www.selleckchem.com/products/Sulfadiazine.html

>  <CAS Number> (356)
68-35-9

$$$$
TARACTAN (chlorprothixene).cdx
csChFnd80/01151910432D

 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
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    1.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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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 10  5  1  0  0  0  0
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 14  9  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> (357)
357

>  <Formula> (357)
C18H18ClNS

>  <MolWeight> (357)
315.86022

>  <Item Name> (357)
Chlorprothixene

>  <Catalog Number> (357)
S1771

>  <Synonyms> (357)
Cloxan, Taractan, Truxal

>  <Target> (357)
Dopamine Receptor

>  <Form> (357)
Free Base

>  <URL> (357)
http://www.selleckchem.com/products/Chlorprothixene.html

>  <CAS Number> (357)
113-59-7

$$$$
TERRAMYCIN (oxytetracycline).cdx
csChFnd80/01151910432D

 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
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    6.0538    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
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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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 14 24  1  0  0  0  0
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 28 13  1  0  0  0  0
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  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> (358)
358

>  <Formula> (358)
C22H24N2O9

>  <MolWeight> (358)
460.43396

>  <Item Name> (358)
Oxytetracycline (Terramycin)

>  <Catalog Number> (358)
S1773

>  <Synonyms> (358)
Terramycin, Liquamycin

>  <Target> (358)
NULL

>  <Form> (358)
Free Base

>  <URL> (358)
http://www.selleckchem.com/products/Oxytetracycline(Terramycin).html

>  <CAS Number> (358)
79-57-2

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/01151910432D

 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
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    2.4207    0.0000    0.0000 N   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
    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
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  4  7  1  0  0  0  0
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  2 10  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (359)
359

>  <Formula> (359)
C5H5N5S

>  <MolWeight> (359)
167.1917

>  <Item Name> (359)
Thioguanine

>  <Catalog Number> (359)
S1774

>  <Synonyms> (359)
6-Thioguanine

>  <Target> (359)
Others

>  <Form> (359)
Free Base

>  <URL> (359)
http://www.selleckchem.com/products/Thioguanine.html

>  <CAS Number> (359)
154-42-7

$$$$
Thiotepa.cdx
csChFnd80/01151910432D

 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
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  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
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 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C6H12N3PS

>  <MolWeight> (360)
189.218341

>  <Item Name> (360)
Thiotepa (Thioplex)

>  <Catalog Number> (360)
S1775

>  <Synonyms> (360)
Tiofosyl, Tiofosfamid, Triethylenethiophosphoramide 

>  <Target> (360)
Others

>  <Form> (360)
Free Base

>  <URL> (360)
http://www.selleckchem.com/products/Thiotepa(Thioplex).html

>  <CAS Number> (360)
52-24-4

$$$$
TRECATOR (ethionamide).cdx
csChFnd80/01151910432D

 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
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  5  6  2  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C8H10N2S

>  <MolWeight> (361)
166.2434

>  <Item Name> (361)
Ethionamide

>  <Catalog Number> (361)
S1777

>  <Synonyms> (361)
2-ethylthioisonicotinamide, Trecator SC, Amidazine 

>  <Target> (361)
Antifection

>  <Form> (361)
Free Base

>  <URL> (361)
http://www.selleckchem.com/products/Ethionamide.html

>  <CAS Number> (361)
536-33-4

$$$$
TRIFLURIDINE (trifluridine).cdx
csChFnd80/01151910432D

 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
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    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
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  2  0  0  0  0
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  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> (362)
362

>  <Formula> (362)
C10H11F3N2O5

>  <MolWeight> (362)
296.1999496

>  <Item Name> (362)
Trifluridine (Viroptic)

>  <Catalog Number> (362)
S1778

>  <Synonyms> (362)
Viroptic, Trifluorothymidine

>  <Target> (362)
NULL

>  <Form> (362)
Free Base

>  <URL> (362)
http://www.selleckchem.com/products/Trifluridine(Viroptic).html

>  <CAS Number> (362)
70-00-8

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/01151910432D

 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
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  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
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  2  8  1  6  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  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> (363)
363

>  <Formula> (363)
C8H12N4O5

>  <MolWeight> (363)
244.20468

>  <Item Name> (363)
Azacitidine (Vidaza)

>  <Catalog Number> (363)
S1782

>  <Synonyms> (363)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (363)
DNA/RNA Synthesis

>  <Form> (363)
Free Base

>  <URL> (363)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

>  <CAS Number> (363)
320-67-2

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/01151910432D

 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
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  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
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 13 18  1  1  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (364)
364

>  <Formula> (364)
C10H13N5O4

>  <MolWeight> (364)
267.24132

>  <Item Name> (364)
Vidarabine (Vira-A)

>  <Catalog Number> (364)
S1784

>  <Synonyms> (364)
Vira-A

>  <Target> (364)
5-alpha Reductase 

>  <Form> (364)
Free Base

>  <URL> (364)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

>  <CAS Number> (364)
5536-17-4

$$$$
VUMON (teniposide).cdx
csChFnd80/01151910432D

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 31 36  1  1  0  0  0
M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C32H32O13S

>  <MolWeight> (365)
656.65368

>  <Item Name> (365)
Teniposide (Vumon)

>  <Catalog Number> (365)
S1787

>  <Synonyms> (365)
Vumon, VM-26, Vehem, NSC 122819 

>  <Target> (365)
Topoisomerase

>  <Form> (365)
Free Base

>  <URL> (365)
http://www.selleckchem.com/products/Teniposide(Vumon).html

>  <CAS Number> (365)
29767-20-2

$$$$
XIFAXAN (rifaximin).cdx
csChFnd80/01151910432D

 57 62  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C43H51N3O11

>  <MolWeight> (366)
785.87854

>  <Item Name> (366)
Rifaximin (Xifaxan)

>  <Catalog Number> (366)
S1790

>  <Synonyms> (366)
Rifacol, Fatroximin

>  <Target> (366)
DNA/RNA Synthesis

>  <Form> (366)
Free Base

>  <URL> (366)
http://www.selleckchem.com/products/Rifaximin(Xifaxan).html

>  <CAS Number> (366)
80621-81-4

$$$$
ZOCOR (simvastatin).cdx
csChFnd80/01151910432D

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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> (367)
367

>  <Formula> (367)
C25H38O5

>  <MolWeight> (367)
418.56622

>  <Item Name> (367)
Simvastatin (Zocor)

>  <Catalog Number> (367)
S1792

>  <Synonyms> (367)
Simlup, Simcard, Simvacor, Simvoget, Zorced 

>  <Target> (367)
HMG-CoA Reductase

>  <Form> (367)
Free Base

>  <URL> (367)
http://www.selleckchem.com/products/Simvastatin(Zocor).html

>  <CAS Number> (367)
79902-63-9

$$$$
ALTACE (ramipril).cdx
csChFnd80/01151910432D

 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
    1.2082    6.9903    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
    6.0453    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> (368)
368

>  <Formula> (368)
C23H32N2O5

>  <MolWeight> (368)
416.51058

>  <Item Name> (368)
Ramipril (Altace)

>  <Catalog Number> (368)
S1793

>  <Synonyms> (368)
Tritace

>  <Target> (368)
RAAS

>  <Form> (368)
Free Base

>  <URL> (368)
http://www.selleckchem.com/products/Ramipril(Altace).html

>  <CAS Number> (368)
87333-19-5

$$$$
FENOFIBRATE (MICRONIZED) (fenofibrate).cdx
csChFnd80/01151910432D

 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> (369)
369

>  <Formula> (369)
C20H21ClO4

>  <MolWeight> (369)
360.83134

>  <Item Name> (369)
Fenofibrate (Tricor, Trilipix)

>  <Catalog Number> (369)
S1794

>  <Synonyms> (369)
Antara, Fenoglide, Fibricor, Lipofen, Lofibra, Triglide 

>  <Target> (369)
NULL

>  <Form> (369)
Free Base

>  <URL> (369)
http://www.selleckchem.com/products/Fenofibrate(Tricor).html

>  <CAS Number> (369)
49562-28-9

$$$$
RANITIDINE (ranitidine).cdx
csChFnd80/01151910432D

 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> (370)
370

>  <Formula> (370)
C13H23ClN4O3S

>  <MolWeight> (370)
350.86472

>  <Item Name> (370)
Ranitidine Hydrochloride

>  <Catalog Number> (370)
S1801

>  <Synonyms> (370)
AH19065

>  <Target> (370)
Histamine Receptor antagonist

>  <Form> (370)
Hydrochloride

>  <URL> (370)
http://www.selleckchem.com/products/Ranitidine-hydrochloride(Zantac).html

>  <CAS Number> (370)
66357-59-3

$$$$
Acipimox.cdx
csChFnd80/01151910432D

 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> (371)
371

>  <Formula> (371)
C6H6N2O3

>  <MolWeight> (371)
154.12344

>  <Item Name> (371)
Acipimox 

>  <Catalog Number> (371)
S1806

>  <Synonyms> (371)
K-9321, Olbemox, Olbetam

>  <Target> (371)
Others

>  <Form> (371)
Free Base

>  <URL> (371)
http://www.selleckchem.com/products/Acipimox.html

>  <CAS Number> (371)
51037-30-0

$$$$
Acyclovir.cdx
csChFnd80/01151910432D

 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> (372)
372

>  <Formula> (372)
C8H11N5O3

>  <MolWeight> (372)
225.20464

>  <Item Name> (372)
Acyclovir (Aciclovir)

>  <Catalog Number> (372)
S1807

>  <Synonyms> (372)
Aciclovir, Acycloguanosine, Zovirax 

>  <Target> (372)
Antifection

>  <Form> (372)
Free Base

>  <URL> (372)
http://www.selleckchem.com/products/Acyclovir(Aciclovir).html

>  <CAS Number> (372)
59277-89-3 

$$$$
ADALAT (nifedipine).cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C17H18N2O6

>  <MolWeight> (373)
346.33462

>  <Item Name> (373)
Nifedipine (Adalat)

>  <Catalog Number> (373)
S1808

>  <Synonyms> (373)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (373)
Calcium Channel

>  <Form> (373)
Free Base

>  <URL> (373)
http://www.selleckchem.com/products/Nifedipine(Adalat).html

>  <CAS Number> (373)
21829-25-4

$$$$
Baricitinib.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (374)
374

>  <Formula> (374)
C16H17N7O2S

>  <MolWeight> (374)
371.41688

>  <Item Name> (374)
Baricitinib (LY3009104)

>  <Catalog Number> (374)
S2851

>  <Synonyms> (374)
INCB 28050

>  <Target> (374)
JAK

>  <Form> (374)
Free Base

>  <URL> (374)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

>  <CAS Number> (374)
1187594-09-7

$$$$
CAPITROL (chloroxine).cdx
csChFnd80/01151910432D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (375)
375

>  <Formula> (375)
C9H5Cl2NO

>  <MolWeight> (375)
214.0481

>  <Item Name> (375)
Chloroxine

>  <Catalog Number> (375)
S1839

>  <Synonyms> (375)
Capitrol

>  <Target> (375)
Antifection

>  <Form> (375)
Free Base

>  <URL> (375)
http://www.selleckchem.com/products/Chloroxine.html

>  <CAS Number> (375)
773-76-2

$$$$
CEENU (lomustine).cdx
csChFnd80/01151910432D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C9H16ClN3O2

>  <MolWeight> (376)
233.69524

>  <Item Name> (376)
Lomustine (CeeNU)

>  <Catalog Number> (376)
S1840

>  <Synonyms> (376)
CCNU 

>  <Target> (376)
DNA/RNA Synthesis

>  <Form> (376)
Free Base

>  <URL> (376)
http://www.selleckchem.com/products/Lomustine(CeeNU).html

>  <CAS Number> (376)
13010-47-4

$$$$
CHENIX (chenodiol).cdx
csChFnd80/01151910432D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (377)
377

>  <Formula> (377)
C24H40O4

>  <MolWeight> (377)
392.572

>  <Item Name> (377)
Chenodeoxycholic acid

>  <Catalog Number> (377)
S1843

>  <Synonyms> (377)
Chenodiol, Chenodesoxycholic acid, Chenocholic acid 

>  <Target> (377)
NULL

>  <Form> (377)
Free Base

>  <URL> (377)
http://www.selleckchem.com/products/Chenodeoxycholic-acid.html

>  <CAS Number> (377)
474-25-9 

$$$$
cimetidine.cdx
csChFnd80/01151910432D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0  0
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 16 17  3  0  0  0  0
M  END
>  <Mol_ID> (378)
378

>  <Formula> (378)
C10H16N6S

>  <MolWeight> (378)
252.33924

>  <Item Name> (378)
Cimetidine (Tagamet)

>  <Catalog Number> (378)
S1845

>  <Synonyms> (378)
Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil 

>  <Target> (378)
NULL

>  <Form> (378)
Free Base

>  <URL> (378)
http://www.selleckchem.com/products/Cimetidine(Tagamet).html

>  <CAS Number> (378)
51481-61-9

$$$$
clemastine fumarate.cdx
csChFnd80/01151910432D

 32 33  0  0  0  0  0  0  0  0999 V2000
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 16 12  1  0  0  0  0
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M  END
>  <Mol_ID> (379)
379

>  <Formula> (379)
C25H30ClNO5

>  <MolWeight> (379)
459.9624

>  <Item Name> (379)
Clemastine Fumarate

>  <Catalog Number> (379)
S1847

>  <Synonyms> (379)
Tavist, Agasten 

>  <Target> (379)
Histamine Receptor

>  <Form> (379)
Fumarate

>  <URL> (379)
http://www.selleckchem.com/products/Clemastine-Fumarate.html

>  <CAS Number> (379)
14976-57-9

$$$$
Daidzein.cdx
csChFnd80/01151910432D

 19 21  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    0.0000    0.0000 O   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
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    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    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
   10.8993    4.8951    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
  4  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  5  1  0  0  0  0
 10 11  2  0  0  0  0
  2 12  1  0  0  0  0
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 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
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 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (380)
380

>  <Formula> (380)
C15H10O4

>  <MolWeight> (380)
254.2375

>  <Item Name> (380)
Daidzein

>  <Catalog Number> (380)
S1849

>  <Synonyms> (380)
N/A

>  <Target> (380)
Others

>  <Form> (380)
Free Base

>  <URL> (380)
http://www.selleckchem.com/products/Daidzein.html

>  <CAS Number> (380)
486-66-8 

$$$$
Methylthiouracil.cdx
csChFnd80/01151910432D

  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
    2.1000    3.6373    0.0000 N   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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1  2  1  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (381)
381

>  <Formula> (381)
C5H6N2OS

>  <MolWeight> (381)
142.17894

>  <Item Name> (381)
Methylthiouracil

>  <Catalog Number> (381)
S3138

>  <Synonyms> (381)
N/A

>  <Target> (381)
Others

>  <Form> (381)
Free Base

>  <URL> (381)
http://www.selleckchem.com/products/methylthiouracil.html

>  <CAS Number> (381)
56-04-2

$$$$
LANIAZID (isoniazid).cdx
csChFnd80/01151910432D

 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> (382)
382

>  <Formula> (382)
C6H7N3O

>  <MolWeight> (382)
137.13928

>  <Item Name> (382)
Isoniazid (Tubizid)

>  <Catalog Number> (382)
S1937

>  <Synonyms> (382)
Tubizid, Laniazid, Nydrazid, Isonicotinylhydrazine

>  <Target> (382)
Angiogenesis

>  <Form> (382)
Free Base

>  <URL> (382)
http://www.selleckchem.com/products/Isoniazid(Tubizid).html

>  <CAS Number> (382)
54-85-3

$$$$
LEXXEL (enalapril maleate).cdx
csChFnd80/01151910432D

 35 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4333    0.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C24H32N2O9

>  <MolWeight> (383)
492.51888

>  <Item Name> (383)
Enalapril maleate (Vasotec)

>  <Catalog Number> (383)
S1941

>  <Synonyms> (383)
Glioten, Renitec 

>  <Target> (383)
Opioid Receptor

>  <Form> (383)
Maleate

>  <URL> (383)
http://www.selleckchem.com/products/Enalapril-maleate(Vasotec).html

>  <CAS Number> (383)
76095-16-4

$$$$
MENADIONE (menadione).cdx
csChFnd80/01151910432D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (384)
384

>  <Formula> (384)
C11H8O2

>  <MolWeight> (384)
172.18002

>  <Item Name> (384)
Menadione

>  <Catalog Number> (384)
S1949

>  <Synonyms> (384)
Vitamin K3

>  <Target> (384)
DNA/RNA Synthesis,phosphatase

>  <Form> (384)
Free Base

>  <URL> (384)
http://www.selleckchem.com/products/Menadione.html

>  <CAS Number> (384)
58-27-5

$$$$
Metformin hydrochloride.cdx
csChFnd80/01151910432D

 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> (385)
385

>  <Formula> (385)
C4H12ClN5

>  <MolWeight> (385)
165.62458

>  <Item Name> (385)
Metformin hydrochloride (Glucophage)

>  <Catalog Number> (385)
S1950

>  <Synonyms> (385)
Glucophage, Riomet, Diabex

>  <Target> (385)
Others

>  <Form> (385)
Hydrochloride

>  <URL> (385)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

>  <CAS Number> (385)
1115-70-4

$$$$
Methoxsalen.cdx
csChFnd80/01151910432D

 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> (386)
386

>  <Formula> (386)
C12H8O4

>  <MolWeight> (386)
216.18952

>  <Item Name> (386)
Methoxsalen (Oxsoralen)

>  <Catalog Number> (386)
S1952

>  <Synonyms> (386)
Xanthotoxin, Metoxaleno,  Dltasoralen, Meladinine, Uvadex

>  <Target> (386)
P450 (e.g. CYP17)

>  <Form> (386)
Free Base

>  <URL> (386)
http://www.selleckchem.com/products/Methoxsalen(Oxsoralen).html

>  <CAS Number> (386)
298-81-7

$$$$
Miconazole nitrate.cdx
csChFnd80/01151910432D

 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
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (387)
387

>  <Formula> (387)
C18H15Cl4N3O4

>  <MolWeight> (387)
479.1414

>  <Item Name> (387)
Miconazole nitrate

>  <Catalog Number> (387)
S1956

>  <Synonyms> (387)
Fungisdin, Albistat, Andergin, Daktacort

>  <Target> (387)
Antifection

>  <Form> (387)
Nitrate 

>  <URL> (387)
http://www.selleckchem.com/products/Miconazole-nitrate.html

>  <CAS Number> (387)
22832-87-7

$$$$
MYSOLINE (primidone).cdx
csChFnd80/01151910432D

 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> (388)
388

>  <Formula> (388)
C12H14N2O2

>  <MolWeight> (388)
218.25176

>  <Item Name> (388)
Primidone (Mysoline)

>  <Catalog Number> (388)
S1965

>  <Synonyms> (388)
Mysoline, Neurosyn, Mylepsin

>  <Target> (388)
Sodium Channel

>  <Form> (388)
Free Base

>  <URL> (388)
http://www.selleckchem.com/products/Primidone(Mysoline).html

>  <CAS Number> (388)
125-33-7

$$$$
Nefiracetam.cdx
csChFnd80/01151910432D

 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
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
  2 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  2  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (389)
389

>  <Formula> (389)
C14H18N2O2

>  <MolWeight> (389)
246.30492

>  <Item Name> (389)
Nefiracetam (Translon)

>  <Catalog Number> (389)
S1969

>  <Synonyms> (389)
DM 9384, Translon, DZL-221

>  <Target> (389)
GABA Receptor

>  <Form> (389)
Free Base

>  <URL> (389)
http://www.selleckchem.com/products/Nefiracetam(Translon).html

>  <CAS Number> (389)
77191-36-7

$$$$
Nicorandil.cdx
csChFnd80/01151910432D

 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
 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> (390)
390

>  <Formula> (390)
C8H9N3O4

>  <MolWeight> (390)
211.17476

>  <Item Name> (390)
Nicorandil (Ikorel)

>  <Catalog Number> (390)
S1971

>  <Synonyms> (390)
SG-75

>  <Target> (390)
Potassium Channel

>  <Form> (390)
Free Base

>  <URL> (390)
http://www.selleckchem.com/products/Nicorandil(Ikorel).html

>  <CAS Number> (390)
65141-46-0

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/01151910432D

 41 42  0  0  0  0  0  0  0  0999 V2000
    6.0368    8.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0302    7.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3872    7.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7508    9.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7574   10.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4004    9.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.0101    5.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0035    4.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3605    4.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7241    6.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6945    9.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    8.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    9.6283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146   10.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4654   10.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8224   11.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1861   12.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1927   13.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8356   13.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4720   11.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5154    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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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  4  7  1  0  0  0  0
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 16 10  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 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
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 38  1  0  0  0  0
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 32 33  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 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> (391)
391

>  <Formula> (391)
C32H37NO8

>  <MolWeight> (391)
563.63808

>  <Item Name> (391)
Tamoxifen Citrate (Nolvadex)

>  <Catalog Number> (391)
S1972

>  <Synonyms> (391)
Istubal

>  <Target> (391)
Estrogen/progestogen Receptor

>  <Form> (391)
Citrate

>  <URL> (391)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

>  <CAS Number> (391)
54965-24-1

$$$$
PAMINE (methscopolamine bromide).cdx
csChFnd80/01151910432D

 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
    0.9900    4.2187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5882    5.4844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8713    6.0431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2928    7.4943    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1568    5.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6005    4.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9528    4.5934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1929    5.3696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028    8.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2827    8.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2479    6.8374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994    3.3353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8712    7.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    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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    7.4974    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7099    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9181    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1305    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1305    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9181    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7057    4.1927    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
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10  3  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  4 13  1  6  0  0  0
  3 14  1  6  0  0  0
  2 15  1  1  0  0  0
  5 16  1  6  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 21  1  0  0  0  0
M  END
>  <Mol_ID> (392)
392

>  <Formula> (392)
C18H24BrNO4

>  <MolWeight> (392)
398.29146

>  <Item Name> (392)
Methscopolamine (Pamine)

>  <Catalog Number> (392)
S1978

>  <Synonyms> (392)
N/A 

>  <Target> (392)
AChR

>  <Form> (392)
quaternary-N bromide salt

>  <URL> (392)
http://www.selleckchem.com/products/Methscopolamine-bromide(Pamine).html

>  <CAS Number> (392)
155-41-9

$$$$
PROPYLTHIOURACIL (propylthiouracil).cdx
csChFnd80/01151910432D

 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
    4.8371    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  3  4  1  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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  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> (393)
393

>  <Formula> (393)
C7H10N2OS

>  <MolWeight> (393)
170.2321

>  <Item Name> (393)
Propylthiouracil

>  <Catalog Number> (393)
S1988

>  <Synonyms> (393)
6-n-Propylthiouracil

>  <Target> (393)
Others

>  <Form> (393)
Free Base

>  <URL> (393)
http://www.selleckchem.com/products/Propylthiouracil.html

>  <CAS Number> (393)
51-52-5

$$$$
untitled.cdx
csChFnd80/01151910432D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.2788    9.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    8.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    7.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    8.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    9.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955   10.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246   10.5152    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   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
    4.8497    5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  1  0  0  0  0
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 15 10  1  0  0  0  0
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 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 18 20  1  0  0  0  0
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 18 22  2  0  0  0  0
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 25 28  1  0  0  0  0
 20 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (394)
394

>  <Formula> (394)
C23H23ClFNO5

>  <MolWeight> (394)
447.8838232

>  <Item Name> (394)
Elvitegravir (GS-9137)

>  <Catalog Number> (394)
S2001

>  <Synonyms> (394)
N/A 

>  <Target> (394)
Integrase 

>  <Form> (394)
Free Base

>  <URL> (394)
http://www.selleckchem.com/products/Elvitegravir.html

>  <CAS Number> (394)
697761-98-1

$$$$
untitled.cdx
csChFnd80/01151910432D

 37 41  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    6.5802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    6.5802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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S2003

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UK-427857, Celsentri 

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CCR5 

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Free Base

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

>  <CAS Number> (395)
376348-65-1

$$$$
Raltegravir.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (396)
396

>  <Formula> (396)
C20H21FN6O5

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Raltegravir (MK-0518)

>  <Catalog Number> (396)
S2005

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Isentress 

>  <Target> (396)
Integrase

>  <Form> (396)
Free Base

>  <URL> (396)
http://www.selleckchem.com/products/Raltegravir-(MK-0518).html

>  <CAS Number> (396)
518048-05-0

$$$$
pyrimethamine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (397)
397

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C12H13ClN4

>  <MolWeight> (397)
248.71142

>  <Item Name> (397)
Pyrimethamine

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S2006

>  <Synonyms> (397)
Daraprim

>  <Target> (397)
NULL

>  <Form> (397)
Free Base

>  <URL> (397)
http://www.selleckchem.com/products/Pyrimethamine.html

>  <CAS Number> (397)
58-14-0

$$$$
Sulindac.cdx
csChFnd80/01151910432D

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398

>  <Formula> (398)
C20H17FO3S

>  <MolWeight> (398)
356.4105832

>  <Item Name> (398)
Sulindac (Clinoril)

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S2007

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Clinoril, Aflodac, Sulreuma

>  <Target> (398)
NULL

>  <Form> (398)
Free Base

>  <URL> (398)
http://www.selleckchem.com/products/Sulindac(Clinoril).html

>  <CAS Number> (398)
38194-50-2

$$$$
Silibinin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (399)
399

>  <Formula> (399)
C25H22O10

>  <MolWeight> (399)
482.43618

>  <Item Name> (399)
Silibinin (Silybin)

>  <Catalog Number> (399)
S2357

>  <Synonyms> (399)
Silybin

>  <Target> (399)
Others

>  <Form> (399)
Free Base

>  <URL> (399)
http://www.selleckchem.com/products/Silibinin(Silybin).html

>  <CAS Number> (399)
22888-70-6

$$$$
Silymarin.cdx
csChFnd80/01151910432D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (400)
400

>  <Formula> (400)
C25H22O10

>  <MolWeight> (400)
482.43618

>  <Item Name> (400)
Silymarin (Silybin B)

>  <Catalog Number> (400)
S2358

>  <Synonyms> (400)
Silybin B, Silibinin B

>  <Target> (400)
NULL

>  <Form> (400)
Free Base

>  <URL> (400)
http://www.selleckchem.com/products/Silymarin(Silybin-B).html

>  <CAS Number> (400)
65666-07-1

$$$$
Synephrine.cdx
csChFnd80/01151910432D

 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
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  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> (401)
401

>  <Formula> (401)
C9H13NO2

>  <MolWeight> (401)
167.20502

>  <Item Name> (401)
Synephrine (Oxedrine)

>  <Catalog Number> (401)
S2362

>  <Synonyms> (401)
Oxedrine, p-Synephrine, Sympatol, Parasympatol, Sympaethamine 

>  <Target> (401)
Androgen Receptor

>  <Form> (401)
Free Base

>  <URL> (401)
http://www.selleckchem.com/products/Synephrine(Oxedrine).html

>  <CAS Number> (401)
94-07-5

$$$$
Tanshinone I.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (402)
402

>  <Formula> (402)
C18H12O3

>  <MolWeight> (402)
276.28608

>  <Item Name> (402)
Tanshinone I

>  <Catalog Number> (402)
S2364

>  <Synonyms> (402)
N/A

>  <Target> (402)
Others

>  <Form> (402)
Free Base

>  <URL> (402)
http://www.selleckchem.com/products/Tanshinone-I.html

>  <CAS Number> (402)
568-73-0

$$$$
Tanshinone IIA.cdx
csChFnd80/01151910432D

 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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    4.8497    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
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  4  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  5  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  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
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 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> (403)
403

>  <Formula> (403)
C19H18O3

>  <MolWeight> (403)
294.34442

>  <Item Name> (403)
Tanshinone IIA (Tanshinone B)

>  <Catalog Number> (403)
S2365

>  <Synonyms> (403)
Tanshinone B, Tanshinone II

>  <Target> (403)
Lipase

>  <Form> (403)
Free Base

>  <URL> (403)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

>  <CAS Number> (403)
568-72-9

$$$$
Troxerutin.cdx
csChFnd80/01151910432D

 52 56  0  0  0  0  0  0  0  0999 V2000
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    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 O   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
    9.6869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.9000    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
   12.1117    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
    9.6869    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0496    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538   10.4976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413   11.1976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289   10.4976    0.0000 C   0  0  2  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
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 31 32  1  0  0  0  0
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  6 33  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
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 40 39  1  6  0  0  0
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 31 51  1  1  0  0  0
 29 52  1  1  0  0  0
M  END
>  <Mol_ID> (404)
404

>  <Formula> (404)
C33H42O19

>  <MolWeight> (404)
742.67518

>  <Item Name> (404)
Troxerutin

>  <Catalog Number> (404)
S2369

>  <Synonyms> (404)
Trihydroxyethylrutin, Troxerutin

>  <Target> (404)
Thrombin

>  <Form> (404)
Free Base

>  <URL> (404)
http://www.selleckchem.com/products/Troxerutin.html

>  <CAS Number> (404)
7085-55-4

$$$$
Ursolic acid.cdx
csChFnd80/01151910432D

 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
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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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 22 18  1  0  0  0  0
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 25 26  2  0  0  0  0
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 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
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 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> (405)
405

>  <Formula> (405)
C30H48O3

>  <MolWeight> (405)
456.70032

>  <Item Name> (405)
Ursolic acid (Malol)

>  <Catalog Number> (405)
S2370

>  <Synonyms> (405)
Malol, Prunol, Urson

>  <Target> (405)
Others

>  <Form> (405)
Free Base

>  <URL> (405)
http://www.selleckchem.com/products/Ursolic-acid(Malol).html

>  <CAS Number> (405)
77-52-1

$$$$
Yohimbine hydrochloride.cdx
csChFnd80/01151910432D

 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
    6.4450    7.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0756    7.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3735    3.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6797    4.7355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2470    6.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1755    2.3636    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.1632    1.4463    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  4  6  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
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 13  3  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 11  1  0  0  0  0
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 10 23  1  6  0  0  0
 15 24  1  6  0  0  0
 19 25  1  6  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (406)
406

>  <Formula> (406)
C21H27ClN2O3

>  <MolWeight> (406)
390.90368

>  <Item Name> (406)
Yohimbine hydrochloride (Antagonil)

>  <Catalog Number> (406)
S2373

>  <Synonyms> (406)
Antagonil, Yohimbe, Aphrodine hydrochloride, Yohimbine monohydrochloride 

>  <Target> (406)
NULL

>  <Form> (406)
Hydrochloride

>  <URL> (406)
http://www.selleckchem.com/products/Yohimbine-hydrochloride(Antagonil).html

>  <CAS Number> (406)
65-19-0 

$$$$
5-HTP.cdx
csChFnd80/01151910432D

 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
    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
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    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 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
    5.3957    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4622    4.8963    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8933    6.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9598    7.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2579    6.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975    4.6062    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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 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  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (407)
407

>  <Formula> (407)
C11H12N2O3

>  <MolWeight> (407)
220.22458

>  <Item Name> (407)
5-hydroxytryptophan (5-HTP)

>  <Catalog Number> (407)
S2374

>  <Synonyms> (407)
N/A 

>  <Target> (407)
Others

>  <Form> (407)
Free Base

>  <URL> (407)
http://www.selleckchem.com/products/5-hydroxytryptophan(5-HTP).html

>  <CAS Number> (407)
56-69-9

$$$$
Ammonium Glycyrrhizinate.cdx
csChFnd80/01151910432D

 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
    8.4828    4.9000    0.0000 C   0  0  2  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
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.9077    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5450    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1634   10.2208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3644   10.9011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 51 63  1  1  0  0  0
M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C42H65NO16

>  <MolWeight> (408)
839.9626

>  <Item Name> (408)
Ammonium Glycyrrhizinate (AMGZ)

>  <Catalog Number> (408)
S2376

>  <Synonyms> (408)
AMGZ

>  <Target> (408)
Dehydrogenase

>  <Form> (408)
Glycyrrhizic acid salt

>  <URL> (408)
http://www.selleckchem.com/products/Ammonium-Glycyrrhizinate(AMGZ).html

>  <CAS Number> (408)
1407-03-0

$$$$
Butylscopolamine bromide.cdx
csChFnd80/01151910432D

 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
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    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
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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (409)
409

>  <Formula> (409)
C21H30BrNO4

>  <MolWeight> (409)
440.3712

>  <Item Name> (409)
Butylscopolamine bromide (Scopolamine butylb

>  <Catalog Number> (409)
S2378

>  <Synonyms> (409)
Scopolamine butylbromide, Butylhyoscine

>  <Target> (409)
Others

>  <Form> (409)
Bromide

>  <URL> (409)
http://www.selleckchem.com/products/Butylscopolamine-bromide(Scopolamine-butylbromide).html

>  <CAS Number> (409)
149-64-4

$$$$
D-Mannitol.cdx
csChFnd80/01151910432D

 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
    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
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    4.8540    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
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  3  9  1  6  0  0  0
  6 10  1  6  0  0  0
  4 11  1  1  0  0  0
  5 12  1  1  0  0  0
M  END
>  <Mol_ID> (410)
410

>  <Formula> (410)
C6H14O6

>  <MolWeight> (410)
182.17176

>  <Item Name> (410)
D-Mannitol (Osmitrol)

>  <Catalog Number> (410)
S2381 

>  <Synonyms> (410)
Mannitol, Osmitrol, Osmofundin

>  <Target> (410)
Others

>  <Form> (410)
Free Base

>  <URL> (410)
http://www.selleckchem.com/products/D-Mannitol(Osmitrol).html

>  <CAS Number> (410)
69-65-8 

$$$$
Gastrodin.cdx
csChFnd80/01151910432D

 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
    6.0496    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    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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  6  1  1  0  0  0  0
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  6  8  1  1  0  0  0
  2  9  1  1  0  0  0
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 10 11  2  0  0  0  0
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  1 18  1  6  0  0  0
  3 19  1  6  0  0  0
  8 20  1  0  0  0  0
M  END
>  <Mol_ID> (411)
411

>  <Formula> (411)
C13H18O7

>  <MolWeight> (411)
286.27782

>  <Item Name> (411)
Gastrodin (Gastrodine)

>  <Catalog Number> (411)
S2383

>  <Synonyms> (411)
Gastrodine

>  <Target> (411)
Others

>  <Form> (411)
Free Base

>  <URL> (411)
http://www.selleckchem.com/products/Gastrodin(Gastrodine).html

>  <CAS Number> (411)
62499-27-8 

$$$$
Indirubin.cdx
csChFnd80/01151910432D

 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
    4.1875    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683    0.4326    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
  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  5  1  0  0  0  0
  8 10  2  0  0  0  0
  7 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
 14 15  1  0  0  0  0
 15 11  1  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  2  0  0  0  0
M  END
>  <Mol_ID> (412)
412

>  <Formula> (412)
C16H10N2O2

>  <MolWeight> (412)
262.2628

>  <Item Name> (412)
Indirubin

>  <Catalog Number> (412)
S2386

>  <Synonyms> (412)
N/A

>  <Target> (412)
GSK-3

>  <Form> (412)
Free Base

>  <URL> (412)
http://www.selleckchem.com/products/Indirubin.html

>  <CAS Number> (412)
479-41-4 

$$$$
L-carnitine.cdx
csChFnd80/01151910432D

 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> (413)
413

>  <Formula> (413)
C7H15NO3

>  <MolWeight> (413)
161.1989

>  <Item Name> (413)
L-carnitine (Levocarnitine)

>  <Catalog Number> (413)
S2388

>  <Synonyms> (413)
Levocarnitine, Carnitor, vitamin BT, Karnitin

>  <Target> (413)
Others

>  <Form> (413)
quaternary-N  salt

>  <URL> (413)
http://www.selleckchem.com/products/L-carnitine(Levocarnitine).html

>  <CAS Number> (413)
541-15-1

$$$$
Polydatin.cdx
csChFnd80/01151910432D

 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> (414)
414

>  <Formula> (414)
C20H22O8

>  <MolWeight> (414)
390.38388

>  <Item Name> (414)
Polydatin(Piceid)

>  <Catalog Number> (414)
S2390

>  <Synonyms> (414)
Piceid, 3,4,5-Tsg, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside 

>  <Target> (414)
Phospholipase (e.g. PLA)

>  <Form> (414)
Free Base

>  <URL> (414)
http://www.selleckchem.com/products/Polydatin(Piceid).html

>  <CAS Number> (414)
65914-17-2

$$$$
Sorbitol.cdx
csChFnd80/01151910432D

 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
    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
    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
  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
  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> (415)
415

>  <Formula> (415)
C6H14O6

>  <MolWeight> (415)
182.17176

>  <Item Name> (415)
Sorbitol (Glucitol)

>  <Catalog Number> (415)
S2393

>  <Synonyms> (415)
Glucitol 

>  <Target> (415)
Others

>  <Form> (415)
Free Base

>  <URL> (415)
http://www.selleckchem.com/products/Sorbitol(Glucitol).html

>  <CAS Number> (415)
50-70-4 

$$$$
Pramipexole.cdx
csChFnd80/01151910432D

 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> (416)
416

>  <Formula> (416)
C10H21Cl2N3OS

>  <MolWeight> (416)
302.26424

>  <Item Name> (416)
Pramipexole dihydrochloride monohydrate 

>  <Catalog Number> (416)
S2011

>  <Synonyms> (416)
Mirapex 

>  <Target> (416)
Dopamine Receptor

>  <Form> (416)
Dihydrochloride monohydrate

>  <URL> (416)
http://www.selleckchem.com/products/Pramipexole-dihydrochloride-monohydrate.html

>  <CAS Number> (416)
191217-81-9

$$$$
TRANCOPAL (chlormezanone).cdx
csChFnd80/01151910432D

 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> (417)
417

>  <Formula> (417)
C11H12ClNO3S

>  <MolWeight> (417)
273.73588

>  <Item Name> (417)
Chlormezanone (Trancopal)

>  <Catalog Number> (417)
S2021

>  <Synonyms> (417)
Trancopal

>  <Target> (417)
Others

>  <Form> (417)
Free Base

>  <URL> (417)
http://www.selleckchem.com/products/Chlormezanone(Trancopal).html

>  <CAS Number> (417)
80-77-3

$$$$
ATACAND (candesartan cilexetil).cdx
csChFnd80/01151910432D

 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> (418)
418

>  <Formula> (418)
C33H34N6O6

>  <MolWeight> (418)
610.65966

>  <Item Name> (418)
Candesartan cilexetil (Atacand)

>  <Catalog Number> (418)
S2037

>  <Synonyms> (418)
Atacand, Amias, Blopress, Ratacand, TCV 116, TCY 116 

>  <Target> (418)
RAAS

>  <Form> (418)
Free Base

>  <URL> (418)
http://www.selleckchem.com/products/Candesartan-cilexetil-Atacand.html

>  <CAS Number> (418)
145040-37-5

$$$$
dextrose.cdx
csChFnd80/01151910432D

 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> (419)
419

>  <Formula> (419)
C6H12O6

>  <MolWeight> (419)
180.15588

>  <Item Name> (419)
Dextrose (D-glucose)

>  <Catalog Number> (419)
S2123

>  <Synonyms> (419)
D-glucose, Grape sugar 

>  <Target> (419)
Others

>  <Form> (419)
Free Base

>  <URL> (419)
http://www.selleckchem.com/products/Dextrose(D-glucose).html

>  <CAS Number> (419)
50-99-7

$$$$
XYLO-PFAN (xylose).cdx
csChFnd80/01151910432D

 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> (420)
420

>  <Formula> (420)
C5H10O5

>  <MolWeight> (420)
150.1299

>  <Item Name> (420)
Xylose

>  <Catalog Number> (420)
S2124

>  <Synonyms> (420)
N/A

>  <Target> (420)
Others

>  <Form> (420)
Free Base

>  <URL> (420)
http://www.selleckchem.com/products/Xylose.html

>  <CAS Number> (420)
25990-60-7

$$$$
mestranol.cdx
csChFnd80/01151910432D

 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
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    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
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   10.6330    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8001    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7869    6.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    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  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
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  3  0  0  0  0
  9 22  1  1  0  0  0
 12 23  1  1  0  0  0
 17 24  1  1  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
M  END
>  <Mol_ID> (421)
421

>  <Formula> (421)
C21H26O2

>  <MolWeight> (421)
310.42994

>  <Item Name> (421)
Mestranol

>  <Catalog Number> (421)
S2125

>  <Synonyms> (421)
N/A

>  <Target> (421)
NULL

>  <Form> (421)
Free Base

>  <URL> (421)
http://www.selleckchem.com/products/Mestranol.html

>  <CAS Number> (421)
72-33-3

$$$$
S-(+)-Rolipram.cdx
csChFnd80/01151910432D

 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
    4.6538    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8663    1.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0787    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0787    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8663    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4456    4.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4456    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2474    3.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    1.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018    1.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2869    1.6834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4333    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8027    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5027    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5659    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8902    1.3583    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
  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 10  1  0  0  0  0
 15  4  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
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (422)
422

>  <Formula> (422)
C16H21NO3

>  <MolWeight> (422)
275.34284

>  <Item Name> (422)
S-(+)-Rolipram

>  <Catalog Number> (422)
S2127

>  <Synonyms> (422)
N/A

>  <Target> (422)
PDE

>  <Form> (422)
Free Base

>  <URL> (422)
http://www.selleckchem.com/products/sRolipram.html

>  <CAS Number> (422)
85416-73-5

$$$$
Atropine sulfate monohydrate.cdx
csChFnd80/01151910432D

 52 54  0  0  0  0  0  0  0  0999 V2000
   14.8667    8.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2667    8.5264    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.6667    8.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2667    9.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2667    7.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5599    3.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   13.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7404   13.7361    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0668   12.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0713   14.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7520   12.5772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7565   14.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7175   14.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0569   11.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7364   10.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3265   13.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3265   11.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286   11.4272    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7864   12.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7698   11.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7680   13.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3668   15.0904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0829    7.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7520    6.3804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7175    8.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7680    7.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (423)
423

>  <Formula> (423)
C34H50N2O11S

>  <MolWeight> (423)
694.8326

>  <Item Name> (423)
Atropine sulfate monohydrate

>  <Catalog Number> (423)
S2130

>  <Synonyms> (423)
Tropine 

>  <Target> (423)
AChR

>  <Form> (423)
Sulfate monohydrate

>  <URL> (423)
http://www.selleckchem.com/products/Atropine-sulfate-monohydrate.html

>  <CAS Number> (423)
5908-99-6

$$$$
Roflumilast.cdx
csChFnd80/01151910432D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (424)
424

>  <Formula> (424)
C17H14Cl2F2N2O3

>  <MolWeight> (424)
403.2074664

>  <Item Name> (424)
Roflumilast (Daxas)

>  <Catalog Number> (424)
S2131

>  <Synonyms> (424)
Daxas

>  <Target> (424)
PDE

>  <Form> (424)
Free Base

>  <URL> (424)
http://www.selleckchem.com/products/Roflumilast(Daxas).html

>  <CAS Number> (424)
162401-32-3

$$$$
E7080.cdx
csChFnd80/01151910432D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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>  <Mol_ID> (425)
425

>  <Formula> (425)
C21H19ClN4O4

>  <MolWeight> (425)
426.85296

>  <Item Name> (425)
E7080 (Lenvatinib)

>  <Catalog Number> (425)
S1164 

>  <Synonyms> (425)
N/A

>  <Target> (425)
VEGFR

>  <Form> (425)
Free Base

>  <URL> (425)
http://www.selleckchem.com/products/E7080.html

>  <CAS Number> (425)
417716-92-8

$$$$
Biotin.cdx
csChFnd80/01151910432D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (426)
426

>  <Formula> (426)
C10H16N2O3S

>  <MolWeight> (426)
244.31064

>  <Item Name> (426)
Biotin (Vitamin B7)

>  <Catalog Number> (426)
S3130

>  <Synonyms> (426)
N/A

>  <Target> (426)
Vitamin

>  <Form> (426)
Free Base

>  <URL> (426)
http://www.selleckchem.com/products/biotin-vitamin-b7.html

>  <CAS Number> (426)
58-85-5

$$$$
Dexamethasone acetate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (427)
427

>  <Formula> (427)
C24H31FO6

>  <MolWeight> (427)
434.4977432

>  <Item Name> (427)
Dexamethasone acetate

>  <Catalog Number> (427)
S3124

>  <Synonyms> (427)
N/A

>  <Target> (427)
IL Receptor,Autophagy

>  <Form> (427)
Free Base

>  <URL> (427)
http://www.selleckchem.com/products/dexamethasone-acetate.html

>  <CAS Number> (427)
1177-87-3

$$$$
Ethynodiol diacetate.cdx
csChFnd80/01151910432D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (428)
428

>  <Formula> (428)
C24H32O4

>  <MolWeight> (428)
384.50848

>  <Item Name> (428)
Ethynodiol diacetate

>  <Catalog Number> (428)
S3160

>  <Synonyms> (428)
N/A 

>  <Target> (428)
Estrogen/progestogen Receptor

>  <Form> (428)
Free Base

>  <URL> (428)
http://www.selleckchem.com/products/ethynodiol-diacetate.html

>  <CAS Number> (428)
297-76-7

$$$$
Atomoxetine hydrochloride.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (429)
429

>  <Formula> (429)
C17H22ClNO

>  <MolWeight> (429)
291.81568

>  <Item Name> (429)
Atomoxetine HCl

>  <Catalog Number> (429)
S3175

>  <Synonyms> (429)
N/A 

>  <Target> (429)
5-HT Receptor

>  <Form> (429)
hydrochloride

>  <URL> (429)
http://www.selleckchem.com/products/atomoxetine-hydrochloride.html

>  <CAS Number> (429)
82248-59-7

$$$$
GSK 1292263.cdx
csChFnd80/01151910432D

 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
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (430)
430

>  <Formula> (430)
C23H28N4O4S

>  <MolWeight> (430)
456.55782

>  <Item Name> (430)
GSK1292263

>  <Catalog Number> (430)
S2149

>  <Synonyms> (430)
N/A

>  <Target> (430)
GPR 

>  <Form> (430)
Free Base

>  <URL> (430)
http://www.selleckchem.com/products/GSK1292263.html

>  <CAS Number> (430)
1032823-75-8

$$$$
Methenamine.cdx
csChFnd80/01151910432D

 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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 10  5  1  0  0  0  0
M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C6H12N4

>  <MolWeight> (431)
140.18628

>  <Item Name> (431)
Methenamine (Mandelamine)

>  <Catalog Number> (431)
S3139

>  <Synonyms> (431)
N/A 

>  <Target> (431)
Antifection

>  <Form> (431)
Free Base

>  <URL> (431)
http://www.selleckchem.com/products/methenamine-mandelamine.html

>  <CAS Number> (431)
100-97-0 

$$$$
Moguisteine.cdx
csChFnd80/01151910432D

 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
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   12.5037    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> (432)
432

>  <Formula> (432)
C16H21NO5S

>  <MolWeight> (432)
339.40664

>  <Item Name> (432)
Moguisteine

>  <Catalog Number> (432)
S3104

>  <Synonyms> (432)
N/A 

>  <Target> (432)
Others

>  <Form> (432)
Free Base

>  <URL> (432)
http://www.selleckchem.com/products/moguisteine.html

>  <CAS Number> (432)
119637-67-1

$$$$
Nadifloxacin.cdx
csChFnd80/01151910432D

 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    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
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 11 12  1  0  0  0  0
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  1 11  2  0  0  0  0
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 13 19  1  0  0  0  0
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M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C19H21FN2O4

>  <MolWeight> (433)
360.3794432

>  <Item Name> (433)
Nadifloxacin

>  <Catalog Number> (433)
S3105

>  <Synonyms> (433)
Nadixa 

>  <Target> (433)
Antifection

>  <Form> (433)
Free Base

>  <URL> (433)
http://www.selleckchem.com/products/nadifloxacin.html

>  <CAS Number> (433)
124858-35-1

$$$$
Amitriptyline hydrochloride.cdx
csChFnd80/01151910432D

 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
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  3  9  2  0  0  0  0
M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C20H24ClN

>  <MolWeight> (434)
313.86426

>  <Item Name> (434)
Amitriptyline HCl 

>  <Catalog Number> (434)
S3183

>  <Synonyms> (434)
N/A 

>  <Target> (434)
5-HT Receptor

>  <Form> (434)
hydrochloride

>  <URL> (434)
http://www.selleckchem.com/products/amitriptyline-hydrochloride.html

>  <CAS Number> (434)
549-18-8

$$$$
LDE225.cdx
csChFnd80/01151910432D

 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
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   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
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   18.1781    2.4207    0.0000 O   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> (435)
435

>  <Formula> (435)
C26H26F3N3O3

>  <MolWeight> (435)
485.4981496

>  <Item Name> (435)
LDE225 (NVP-LDE225, Erismodegib)

>  <Catalog Number> (435)
S2151

>  <Synonyms> (435)
N/A 

>  <Target> (435)
Smoothened

>  <Form> (435)
Free Base

>  <URL> (435)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

>  <CAS Number> (435)
956697-53-3

$$$$
Dabigatran etexilate.cdx
csChFnd80/01151910432D

 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
   10.9119    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (436)
436

>  <Formula> (436)
C34H41N7O5

>  <MolWeight> (436)
627.73324

>  <Item Name> (436)
BIBR-1048 (Dabigatran)

>  <Catalog Number> (436)
S2154

>  <Synonyms> (436)
N/A 

>  <Target> (436)
Thrombin

>  <Form> (436)
Free Base

>  <URL> (436)
http://www.selleckchem.com/products/BIBR-1048(Dabigatran-etexilate).html

>  <CAS Number> (436)
211915-06-9

$$$$
Tebipenem pivoxil.cdx
csChFnd80/01151910432D

 35 38  0  0  0  0  0  0  0  0999 V2000
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 30  9  1  0  0  0  0
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M  END
>  <Mol_ID> (437)
437

>  <Formula> (437)
C22H31N3O6S2

>  <MolWeight> (437)
497.62804

>  <Item Name> (437)
Tebipenem pivoxil (L-084)

>  <Catalog Number> (437)
S2159

>  <Synonyms> (437)
L-084, TBPM-PI, ME1211 

>  <Target> (437)
Antifection

>  <Form> (437)
Free Base

>  <URL> (437)
http://www.selleckchem.com/products/Tebipenem-pivoxil(L-084).html

>  <CAS Number> (437)
161715-24-8

$$$$
raf265.cdx
csChFnd80/01151910432D

 37 41  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  END
>  <Mol_ID> (438)
438

>  <Formula> (438)
C24H16F6N6O

>  <MolWeight> (438)
518.4138592

>  <Item Name> (438)
RAF265 (CHIR-265)

>  <Catalog Number> (438)
S2161

>  <Synonyms> (438)
N/A 

>  <Target> (438)
Raf, VEGFR

>  <Form> (438)
Free Base

>  <URL> (438)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

>  <CAS Number> (438)
927880-90-8

$$$$

csChFnd80/01151910432D

 33 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (439)
439

>  <Formula> (439)
C24H30ClN3O5

>  <MolWeight> (439)
475.9651

>  <Item Name> (439)
ITF2357 (Givinostat)

>  <Catalog Number> (439)
S2170

>  <Synonyms> (439)
N/A 

>  <Target> (439)
HDAC 

>  <Form> (439)
Chloride

>  <URL> (439)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

>  <CAS Number> (439)
732302-99-7

$$$$
Cyclophosphamide monohydrate.cdx
csChFnd80/01151910432D

 15 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (440)
440

>  <Formula> (440)
C7H17Cl2N2O3P

>  <MolWeight> (440)
279.101241

>  <Item Name> (440)
Cyclophosphamide monohydrate

>  <Catalog Number> (440)
S2057

>  <Synonyms> (440)
N/A

>  <Target> (440)
DNA alkylator

>  <Form> (440)
Monohydrate

>  <URL> (440)
http://www.selleckchem.com/products/cyclophosphamide-monohydrate.html

>  <CAS Number> (440)
6055-19-2

$$$$
LY2784544.cdx
csChFnd80/01151910432D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
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 16 11  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 18  2  0  0  0  0
 21 23  1  0  0  0  0
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 25 26  1  0  0  0  0
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 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (441)
441

>  <Formula> (441)
C23H25ClFN7O

>  <MolWeight> (441)
469.9423032

>  <Item Name> (441)
Gandotinib (LY2784544)

>  <Catalog Number> (441)
S2179

>  <Synonyms> (441)
N/A

>  <Target> (441)
JAK 

>  <Form> (441)
Free Base

>  <URL> (441)
http://www.selleckchem.com/products/LY2784544.html

>  <CAS Number> (441)
1229236-86-5

$$$$
DESLORATADINE (desloratadine).cdx
csChFnd80/01151910432D

 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
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    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
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    7.5577    3.4117    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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 13  7  1  0  0  0  0
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 17  9  1  0  0  0  0
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 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (442)
442

>  <Formula> (442)
C19H19ClN2

>  <MolWeight> (442)
310.82056

>  <Item Name> (442)
Desloratadine 

>  <Catalog Number> (442)
S4012

>  <Synonyms> (442)
N/A

>  <Target> (442)
Histamine Receptor

>  <Form> (442)
Free Base

>  <URL> (442)
http://www.selleckchem.com/products/desloratadine.html

>  <CAS Number> (442)
100643-71-8

$$$$
Ornidazole.cdx
csChFnd80/01151910432D

 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
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    1.2790    2.8436    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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 10 11  1  0  0  0  0
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  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (443)
443

>  <Formula> (443)
C7H10ClN3O3

>  <MolWeight> (443)
219.6256

>  <Item Name> (443)
Ornidazole

>  <Catalog Number> (443)
S3121

>  <Synonyms> (443)
N/A 

>  <Target> (443)
Antifection

>  <Form> (443)
Free Base

>  <URL> (443)
http://www.selleckchem.com/products/ornidazole.html

>  <CAS Number> (443)
16773-42-5

$$$$
Oxybutynin chloride.cdx
csChFnd80/01151910432D

 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
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  7  8  1  0  0  0  0
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 15  8  1  0  0  0  0
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M  END
>  <Mol_ID> (444)
444

>  <Formula> (444)
C22H32ClNO3

>  <MolWeight> (444)
393.94738

>  <Item Name> (444)
Oxybutynin chloride

>  <Catalog Number> (444)
S3117

>  <Synonyms> (444)
N/A 

>  <Target> (444)
AChR

>  <Form> (444)
Chloride

>  <URL> (444)
http://www.selleckchem.com/products/oxybutynin-chloride.html

>  <CAS Number> (444)
1508-65-2

$$$$
MLN9708.cdx
csChFnd80/01151910432D

 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
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   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
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 26 15  1  0  0  0  0
 25 27  2  0  0  0  0
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 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> (445)
445

>  <Formula> (445)
C20H23BCl2N2O9

>  <MolWeight> (445)
517.12162

>  <Item Name> (445)
Ixazomib Citrate (MLN9708)

>  <Catalog Number> (445)
S2181

>  <Synonyms> (445)
N/A

>  <Target> (445)
Proteasome

>  <Form> (445)
Free Base

>  <URL> (445)
http://www.selleckchem.com/products/MLN9708.html

>  <CAS Number> (445)
1201902-80-8

$$$$
SB743921.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (446)
446

>  <Formula> (446)
C31H34Cl2N2O3

>  <MolWeight> (446)
553.51926

>  <Item Name> (446)
SB743921 HCl

>  <Catalog Number> (446)
S2182 

>  <Synonyms> (446)
N/A

>  <Target> (446)
Kinesin

>  <Form> (446)
Hydrochloride

>  <URL> (446)
http://www.selleckchem.com/products/SB-743921.html

>  <CAS Number> (446)
940929-33-9

$$$$
ivermectin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (447)
447

>  <Formula> (447)
C48H74O14

>  <MolWeight> (447)
875.09276

>  <Item Name> (447)
Ivermectin

>  <Catalog Number> (447)
S1351

>  <Synonyms> (447)
Stromectol

>  <Target> (447)
Antifection

>  <Form> (447)
Free Base

>  <URL> (447)
http://www.selleckchem.com/products/Ivermectin.html

>  <CAS Number> (447)
70288-86-7

$$$$
AVC (sulfanilamide).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (448)
448

>  <Formula> (448)
C6H8N2O2S

>  <MolWeight> (448)
172.20492

>  <Item Name> (448)
Sulfanilamide

>  <Catalog Number> (448)
S1685

>  <Synonyms> (448)
N/A

>  <Target> (448)
Antifection

>  <Form> (448)
Free Base

>  <URL> (448)
http://www.selleckchem.com/products/Sulfanilamide.html

>  <CAS Number> (448)
63-74-1

$$$$
Avasimibe.cdx
csChFnd80/01151910432D

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CI-1011

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P450

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Free Base

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http://www.selleckchem.com/products/Avasimibe(CI-1011).html

>  <CAS Number> (449)
166518-60-1 

$$$$
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EGFR, HER2

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Free Base

>  <URL> (450)
http://www.selleckchem.com/products/AZD8931.html

>  <CAS Number> (450)
848942-61-0

$$$$
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S2195 

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>  <Target> (451)
Microtubule Associated

>  <Form> (451)
Free Base

>  <URL> (451)
http://www.selleckchem.com/products/CYT997.html

>  <CAS Number> (451)
917111-44-5

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>  <Synonyms> (452)
Lentaron(R), 17-dione, CGP-32349, NSC 282175 

>  <Target> (452)
Aromatase 

>  <Form> (452)
Free Base

>  <URL> (452)
http://www.selleckchem.com/products/Formestane.html

>  <CAS Number> (452)
566-48-3

$$$$
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  1  2  2  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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M  END
>  <Mol_ID> (453)
453

>  <Formula> (453)
C25H23F3N4O2

>  <MolWeight> (453)
468.4709296

>  <Item Name> (453)
Mubritinib (TAK 165)

>  <Catalog Number> (453)
S2216

>  <Synonyms> (453)
TAK 165, TAK165

>  <Target> (453)
HER2

>  <Form> (453)
Free Base

>  <URL> (453)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

>  <CAS Number> (453)
366017-09-6

$$$$
irinotecan.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (454)
454

>  <Formula> (454)
C33H45ClN4O9

>  <MolWeight> (454)
677.1848

>  <Item Name> (454)
Irinotecan HCl Trihydrate (Campto)

>  <Catalog Number> (454)
S2217 

>  <Synonyms> (454)
CPT 11, Camptosar, Campto, Irinotecan 

>  <Target> (454)
Topoisomerase

>  <Form> (454)
HCl & trihydrat

>  <URL> (454)
http://www.selleckchem.com/products/Irinotecan-Hcl-Trihydrate-Campto.html

>  <CAS Number> (454)
136572-09-3

$$$$
CYT 387.cdx
csChFnd80/01151910432D

 31 34  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> (455)
455

>  <Formula> (455)
C23H22N6O2

>  <MolWeight> (455)
414.45978

>  <Item Name> (455)
Momelotinib (CYT387)

>  <Catalog Number> (455)
S2219

>  <Synonyms> (455)
CYT 11387 

>  <Target> (455)
JAK 

>  <Form> (455)
Free Base

>  <URL> (455)
http://www.selleckchem.com/products/Cyt387.html

>  <CAS Number> (455)
1056634-68-4

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (456)
456

>  <Formula> (456)
C22H18O11

>  <MolWeight> (456)
458.37172

>  <Item Name> (456)
(-)-Epigallocatechin gallate

>  <Catalog Number> (456)
S2250

>  <Synonyms> (456)
EGCG

>  <Target> (456)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (456)
Free Base

>  <URL> (456)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

>  <CAS Number> (456)
989-51-5

$$$$
4-Methylumbelliferone.cdx
csChFnd80/01151910432D

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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (457)
457

>  <Formula> (457)
C10H8O3

>  <MolWeight> (457)
176.16872

>  <Item Name> (457)
4-Methylumbelliferone (4-MU)

>  <Catalog Number> (457)
S2256

>  <Synonyms> (457)
4-MU

>  <Target> (457)
Others

>  <Form> (457)
Free Base

>  <URL> (457)
http://www.selleckchem.com/products/4-Methylumbelliferone(4-MU).html

>  <CAS Number> (457)
90-33-5

$$$$
Andrographolide.cdx
csChFnd80/01151910432D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (458)
458

>  <Formula> (458)
C20H30O5

>  <MolWeight> (458)
350.4492

>  <Item Name> (458)
Andrographolide

>  <Catalog Number> (458)
S2261

>  <Synonyms> (458)
N/A

>  <Target> (458)
NF-¦ÊB

>  <Form> (458)
Free Base

>  <URL> (458)
http://www.selleckchem.com/products/Andrographolide.html

>  <CAS Number> (458)
5508-58-7

$$$$
Apigenin.cdx
csChFnd80/01151910432D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    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
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 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (459)
459

>  <Formula> (459)
C15H10O5

>  <MolWeight> (459)
270.2369

>  <Item Name> (459)
Apigenin

>  <Catalog Number> (459)
S2262

>  <Synonyms> (459)
N/A

>  <Target> (459)
P450

>  <Form> (459)
Free Base

>  <URL> (459)
http://www.selleckchem.com/products/Apigenin.html

>  <CAS Number> (459)
520-36-5

$$$$
Arbutin.cdx
csChFnd80/01151910432D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (460)
460

>  <Formula> (460)
C12H16O7

>  <MolWeight> (460)
272.25124

>  <Item Name> (460)
Arbutin (Uva, p-Arbutin)

>  <Catalog Number> (460)
S2263

>  <Synonyms> (460)
Uva, Ursi, p-Arbutin, Hydroquinone ¦Â-D-glucopyranoside 

>  <Target> (460)
Estrogen/progestogen Receptor

>  <Form> (460)
Free Base

>  <URL> (460)
http://www.selleckchem.com/products/Arbutin(Uva,-p-Arbutin).html

>  <CAS Number> (460)
497-76-7

$$$$
Ipriflavone.cdx
csChFnd80/01151910432D

 21 23  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> (461)
461

>  <Formula> (461)
C18H16O3

>  <MolWeight> (461)
280.31784

>  <Item Name> (461)
Ipriflavone

>  <Catalog Number> (461)
S2422 

>  <Synonyms> (461)
N/A 

>  <Target> (461)
Others

>  <Form> (461)
Free Base

>  <URL> (461)
http://www.selleckchem.com/products/ipriflavone.html

>  <CAS Number> (461)
35212-22-7

$$$$
Baicalein.cdx
csChFnd80/01151910432D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (462)
462

>  <Formula> (462)
C15H10O5

>  <MolWeight> (462)
270.2369

>  <Item Name> (462)
Baicalein

>  <Catalog Number> (462)
S2268

>  <Synonyms> (462)
N/A

>  <Target> (462)
P450

>  <Form> (462)
Free Base

>  <URL> (462)
http://www.selleckchem.com/products/Baicalein.html

>  <CAS Number> (462)
491-67-8

$$$$
PNU200577.cdx
csChFnd80/01151910432D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (463)
463

>  <Formula> (463)
C22H31NO2

>  <MolWeight> (463)
341.48704

>  <Item Name> (463)
5-hydroxymethyl tolterodine (PNU 200577)

>  <Catalog Number> (463)
S2659 

>  <Synonyms> (463)
N/A

>  <Target> (463)
AChR 

>  <Form> (463)
Free Base

>  <URL> (463)
http://www.selleckchem.com/products/5-hydroxymethyl-tolterodine-pnu-200577.html

>  <CAS Number> (463)
207679-81-0

$$$$
VX 765.cdx
csChFnd80/01151910432D

 35 37  0  0  0  0  0  0  0  0999 V2000
   12.7846    5.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7846    3.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9970    3.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2095    5.2503    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  7  1  0  0  0  0
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  1  9  1  0  0  0  0
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M  END
>  <Mol_ID> (464)
464

>  <Formula> (464)
C24H33ClN4O6

>  <MolWeight> (464)
508.99502

>  <Item Name> (464)
Belnacasan (VX-765)

>  <Catalog Number> (464)
S2228

>  <Synonyms> (464)
N/A

>  <Target> (464)
Caspase

>  <Form> (464)
Free Base

>  <URL> (464)
http://www.selleckchem.com/products/VX-765.html

>  <CAS Number> (464)
273404-37-8

$$$$
Bengenin.cdx
csChFnd80/01151910432D

 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
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 10  5  1  0  0  0  0
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 14 10  1  0  0  0  0
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 17 20  1  0  0  0  0
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M  END
>  <Mol_ID> (465)
465

>  <Formula> (465)
C14H16O9

>  <MolWeight> (465)
328.27144

>  <Item Name> (465)
Bergenin (Cuscutin)

>  <Catalog Number> (465)
S2270

>  <Synonyms> (465)
Cuscutin

>  <Target> (465)
Others

>  <Form> (465)
Free Base

>  <URL> (465)
http://www.selleckchem.com/products/Bergenin-(Cuscutin).html

>  <CAS Number> (465)
477-90-7

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/01151910432D

 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
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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> (466)
466

>  <Formula> (466)
C20H18ClNO4

>  <MolWeight> (466)
371.81422

>  <Item Name> (466)
Berberine chloride

>  <Catalog Number> (466)
S2271

>  <Synonyms> (466)
N/A

>  <Target> (466)
Antifection

>  <Form> (466)
chloride

>  <URL> (466)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

>  <CAS Number> (466)
633-65-8

$$$$
Bilobalide.cdx
csChFnd80/01151910432D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    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> (467)
467

>  <Formula> (467)
C15H18O8

>  <MolWeight> (467)
326.29862

>  <Item Name> (467)
Bilobalide

>  <Catalog Number> (467)
S2276

>  <Synonyms> (467)
N/A

>  <Target> (467)
Others

>  <Form> (467)
Free Base

>  <URL> (467)
http://www.selleckchem.com/products/Bilobalide.html

>  <CAS Number> (467)
33570-04-6

$$$$
Caffeic acid.cdx
csChFnd80/01151910432D

 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> (468)
468

>  <Formula> (468)
C9H8O4

>  <MolWeight> (468)
180.15742

>  <Item Name> (468)
Caffeic acid

>  <Catalog Number> (468)
S2277

>  <Synonyms> (468)
N/A

>  <Target> (468)
Others

>  <Form> (468)
Free Base

>  <URL> (468)
http://www.selleckchem.com/products/Caffeic-acid.html

>  <CAS Number> (468)
331-39-5

$$$$
Chlorogenic acid.cdx
csChFnd80/01151910432D

 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> (469)
469

>  <Formula> (469)
C16H18O9

>  <MolWeight> (469)
354.30872

>  <Item Name> (469)
Chlorogenic acid

>  <Catalog Number> (469)
S2280

>  <Synonyms> (469)
N/A

>  <Target> (469)
Others

>  <Form> (469)
Free Base

>  <URL> (469)
http://www.selleckchem.com/products/Chlorogenic-acid.html

>  <CAS Number> (469)
327-97-9

$$$$
Cinchonidine.cdx
csChFnd80/01151910432D

 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
    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
    4.8497    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
    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
    1.2124    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8087    5.0754    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.1021    4.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2729    6.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9544    5.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610    6.1861    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8087    6.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610    7.5861    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4485    8.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2361    7.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    3.6803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8734    8.2861    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
  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
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 16  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 11 22  1  1  0  0  0
 12 23  1  1  0  0  0
 19 24  1  1  0  0  0
M  END
>  <Mol_ID> (470)
470

>  <Formula> (470)
C19H22N2O

>  <MolWeight> (470)
294.39078

>  <Item Name> (470)
Cinchonidine

>  <Catalog Number> (470)
S2282

>  <Synonyms> (470)
N/A

>  <Target> (470)
Antifection

>  <Form> (470)
Free Base

>  <URL> (470)
http://www.selleckchem.com/products/Cinchonidine.html

>  <CAS Number> (470)
485-71-2

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/01151910432D

 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
    8.4955    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.7079    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7000    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
    8.4913    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3443    1.4406    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  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> (471)
471

>  <Formula> (471)
C20H25ClN2O5

>  <MolWeight> (471)
408.8759

>  <Item Name> (471)
Amlodipine (Norvasc)

>  <Catalog Number> (471)
S1905

>  <Synonyms> (471)
Istin, Norvasc, Caduet

>  <Target> (471)
Calcium Channel

>  <Form> (471)
Free Base

>  <URL> (471)
http://www.selleckchem.com/products/Amlodipine(Norvasc).html

>  <CAS Number> (471)
88150-42-9

$$$$
Cyclosporin A.cdx
csChFnd80/01151910432D

 85 85  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    6.3097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    8.4171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3663    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    8.4171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8540    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8540    2.8049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.2124    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4997   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3663   10.5244    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9330   10.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5788   11.2244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5788   12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621   13.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621   14.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2330   10.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2873    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1370    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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
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   19.4116    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
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  1  2  1  0  0  0  0
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  6 35  1  1  0  0  0
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 35 37  1  0  0  0  0
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 10 40  1  0  0  0  0
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 29 64  1  6  0  0  0
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M  END
>  <Mol_ID> (472)
472

>  <Formula> (472)
C62H111N11O12

>  <MolWeight> (472)
1202.61124

>  <Item Name> (472)
Cyclosporin A

>  <Catalog Number> (472)
S2286

>  <Synonyms> (472)
Cyclosporine A

>  <Target> (472)
phosphatase

>  <Form> (472)
Free Base

>  <URL> (472)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

>  <CAS Number> (472)
59865-13-3

$$$$
Cytisine.cdx
csChFnd80/01151910432D

 14 16  0  0  0  0  0  0  0  0999 V2000
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    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
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 12  2  1  0  0  0  0
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 11 14  1  1  0  0  0
M  END
>  <Mol_ID> (473)
473

>  <Formula> (473)
C11H14N2O

>  <MolWeight> (473)
190.24166

>  <Item Name> (473)
Cytisine

>  <Catalog Number> (473)
S2287

>  <Synonyms> (473)
Baphitoxine,Sophorine

>  <Target> (473)
AChR

>  <Form> (473)
Free Base

>  <URL> (473)
http://www.selleckchem.com/products/Cytisine(Baphitoxine,-Sophorine).html

>  <CAS Number> (473)
485-35-8 

$$$$
dihydroartemisinin.cdx
csChFnd80/01151910432D

 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
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    1.2124    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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 14  5  1  0  0  0  0
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M  END
>  <Mol_ID> (474)
474

>  <Formula> (474)
C15H24O5

>  <MolWeight> (474)
284.34806

>  <Item Name> (474)
Dihydroartemisinin (DHA)

>  <Catalog Number> (474)
S2290

>  <Synonyms> (474)
N/A 

>  <Target> (474)
Others

>  <Form> (474)
Free Base

>  <URL> (474)
http://www.selleckchem.com/products/Dihydroartemisinin(DHA).html

>  <CAS Number> (474)
71939-50-9

$$$$
DL-Carnitine hydrochloride.cdx
csChFnd80/01151910432D

 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
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  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> (475)
475

>  <Formula> (475)
C7H16ClNO3

>  <MolWeight> (475)
197.65984

>  <Item Name> (475)
DL-Carnitine hydrochloride

>  <Catalog Number> (475)
S2293

>  <Synonyms> (475)
N/A

>  <Target> (475)
Others

>  <Form> (475)
Hydrochloride

>  <URL> (475)
http://www.selleckchem.com/products/DL-Carnitine-hydrochloride.html

>  <CAS Number> (475)
461-05-2

$$$$
Enoxolone.cdx
csChFnd80/01151910432D

 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
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    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
   10.6852   10.7851    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
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 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
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 12 13  2  0  0  0  0
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  9 26  1  1  0  0  0
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M  END
>  <Mol_ID> (476)
476

>  <Formula> (476)
C30H46O4

>  <MolWeight> (476)
470.68384

>  <Item Name> (476)
Enoxolone (Glycyrrhetin)

>  <Catalog Number> (476)
S2296

>  <Synonyms> (476)
Glycyrrhetin, Uralenic acid 

>  <Target> (476)
Dehydrogenase

>  <Form> (476)
Free Base

>  <URL> (476)
http://www.selleckchem.com/products/Enoxolone(Glycyrrhetin).html

>  <CAS Number> (476)
471-53-4

$$$$
Fisetin.cdx
csChFnd80/01151910432D

 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
    0.0000    4.1927    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
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  1  2  2  0  0  0  0
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 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (477)
477

>  <Formula> (477)
C15H10O6

>  <MolWeight> (477)
286.2363

>  <Item Name> (477)
Fisetin (Fustel)

>  <Catalog Number> (477)
S2298

>  <Synonyms> (477)
Fustel, Viset

>  <Target> (477)
Sirtuin

>  <Form> (477)
Free Base

>  <URL> (477)
http://www.selleckchem.com/products/Fisetin(Fustel).html

>  <CAS Number> (477)
528-48-3

$$$$
Fumalic acid.cdx
csChFnd80/01151910432D

 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
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  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
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (478)
478

>  <Formula> (478)
C10H10O4

>  <MolWeight> (478)
194.184

>  <Item Name> (478)
Fumalic acid (Ferulic acid)

>  <Catalog Number> (478)
S2300

>  <Synonyms> (478)
Ferulic acid

>  <Target> (478)
Others

>  <Form> (478)
Free Base

>  <URL> (478)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

>  <CAS Number> (478)
1135-24-6

$$$$
Glycyrrhizic acid.cdx
csChFnd80/01151910432D

 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
   13.3242    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7490    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7490    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1739    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9615   10.4879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   19.3863   11.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    5.5903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1840   13.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7490    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.8879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (479)
479

>  <Formula> (479)
C42H62O16

>  <MolWeight> (479)
822.93208

>  <Item Name> (479)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Catalog Number> (479)
S2302

>  <Synonyms> (479)
N/A

>  <Target> (479)
Others

>  <Form> (479)
Free Base

>  <URL> (479)
http://www.selleckchem.com/products/Glycyrrhizic-acid.html

>  <CAS Number> (479)
1405-86-3

$$$$
Tolbutamide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (480)
480

>  <Formula> (480)
C12H18N2O3S

>  <MolWeight> (480)
270.34792

>  <Item Name> (480)
Tolbutamide

>  <Catalog Number> (480)
S2443 

>  <Synonyms> (480)
N/A 

>  <Target> (480)
Potassium Channel 

>  <Form> (480)
Free Base

>  <URL> (480)
http://www.selleckchem.com/products/tolbutamide.html

>  <CAS Number> (480)
64-77-7

$$$$
Hesperetin.cdx
csChFnd80/01151910432D

 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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M  END
>  <Mol_ID> (481)
481

>  <Formula> (481)
C16H14O6

>  <MolWeight> (481)
302.27876

>  <Item Name> (481)
Hesperetin

>  <Catalog Number> (481)
S2308

>  <Synonyms> (481)
N/A

>  <Target> (481)
Histamine Receptor

>  <Form> (481)
Free Base

>  <URL> (481)
http://www.selleckchem.com/products/Hesperetin.html

>  <CAS Number> (481)
520-33-2

$$$$
Hesperidin.cdx
csChFnd80/01151910432D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (482)
482

>  <Formula> (482)
C28H34O15

>  <MolWeight> (482)
610.56056

>  <Item Name> (482)
Hesperidin

>  <Catalog Number> (482)
S2309

>  <Synonyms> (482)
N/A

>  <Target> (482)
NULL

>  <Form> (482)
Free Base

>  <URL> (482)
http://www.selleckchem.com/products/Hesperidin.html

>  <CAS Number> (482)
520-26-3

$$$$
Honokiol.cdx
csChFnd80/01151910432D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (483)
483

>  <Formula> (483)
C18H18O2

>  <MolWeight> (483)
266.33432

>  <Item Name> (483)
Honokiol

>  <Catalog Number> (483)
S2310

>  <Synonyms> (483)
N/A

>  <Target> (483)
Akt, MEK

>  <Form> (483)
Free Base

>  <URL> (483)
http://www.selleckchem.com/products/Honokiol.html

>  <CAS Number> (483)
35354-74-6

$$$$
Hyodeoxycholic acid.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (484)
484

>  <Formula> (484)
C24H40O4

>  <MolWeight> (484)
392.572

>  <Item Name> (484)
Hyodeoxycholic acid (HDCA)

>  <Catalog Number> (484)
S2311

>  <Synonyms> (484)
3¦Á,6¦Á-Dihydroxy-5¦Â-cholan-24-oic acid, HDCA 

>  <Target> (484)
Others

>  <Form> (484)
Free Base

>  <URL> (484)
http://www.selleckchem.com/products/Hyodeoxycholic-acid(HDCA).html

>  <CAS Number> (484)
83-49-8

$$$$
Icariin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (485)
485

>  <Formula> (485)
C33H40O15

>  <MolWeight> (485)
676.6617

>  <Item Name> (485)
Icariin

>  <Catalog Number> (485)
S2312

>  <Synonyms> (485)
N/A

>  <Target> (485)
PDE

>  <Form> (485)
Free Base

>  <URL> (485)
http://www.selleckchem.com/products/Icariin.html

>  <CAS Number> (485)
489-32-7

$$$$
Indole-3-carbinol.cdx
csChFnd80/01151910432D

 11 12  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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M  END
>  <Mol_ID> (486)
486

>  <Formula> (486)
C9H9NO

>  <MolWeight> (486)
147.17386

>  <Item Name> (486)
Indole-3-carbinol

>  <Catalog Number> (486)
S2313

>  <Synonyms> (486)
N/A

>  <Target> (486)
NF-¦ÊB

>  <Form> (486)
Free Base

>  <URL> (486)
http://www.selleckchem.com/products/Indole-3-carbinol.html

>  <CAS Number> (486)
700-06-1

$$$$
Kinetin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (487)
487

>  <Formula> (487)
C10H9N5O

>  <MolWeight> (487)
215.21136

>  <Item Name> (487)
Kinetin (6-Furfuryladenine)

>  <Catalog Number> (487)
S2316

>  <Synonyms> (487)
6-Furfuryladenine, N6-Furfuryladenine, 6-Furfurylaminopurine,Cytokinin 

>  <Target> (487)
Others

>  <Form> (487)
Free Base

>  <URL> (487)
http://www.selleckchem.com/products/Kinetin(6-Furfuryladenine).html

>  <CAS Number> (487)
525-79-1

$$$$
Limonin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (488)
488

>  <Formula> (488)
C26H30O8

>  <MolWeight> (488)
470.5116

>  <Item Name> (488)
Limonin

>  <Catalog Number> (488)
S2319

>  <Synonyms> (488)
N/A

>  <Target> (488)
Others

>  <Form> (488)
Free Base

>  <URL> (488)
http://www.selleckchem.com/products/Limonin.html

>  <CAS Number> (488)
1180-71-8

$$$$
Luteolin.cdx
csChFnd80/01151910432D

 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
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    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    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
  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
  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
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (489)
489

>  <Formula> (489)
C15H10O6

>  <MolWeight> (489)
286.2363

>  <Item Name> (489)
Luteolin

>  <Catalog Number> (489)
S2320

>  <Synonyms> (489)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (489)
PDE

>  <Form> (489)
Free Base

>  <URL> (489)
http://www.selleckchem.com/products/Luteolin(Luteolol).html

>  <CAS Number> (489)
491-70-3 

$$$$
Magnolol.cdx
csChFnd80/01151910432D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    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 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  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
  3 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (490)
490

>  <Formula> (490)
C18H18O2

>  <MolWeight> (490)
266.33432

>  <Item Name> (490)
Magnolol

>  <Catalog Number> (490)
S2321

>  <Synonyms> (490)
2,2'-Bichavicol

>  <Target> (490)
NF-¦ÊB

>  <Form> (490)
Free Base

>  <URL> (490)
http://www.selleckchem.com/products/Magnolol(2,2-Bichavicol).html

>  <CAS Number> (490)
528-43-8

$$$$
Nalidixic acid.cdx
csChFnd80/01151910432D

 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> (491)
491

>  <Formula> (491)
C12H12N2O3

>  <MolWeight> (491)
232.23528

>  <Item Name> (491)
Nalidixic acid (NegGram)

>  <Catalog Number> (491)
S2328

>  <Synonyms> (491)
NegGram, Nevigramon, Nalidixin, Uronidix 

>  <Target> (491)
Topoisomerase

>  <Form> (491)
Free Base

>  <URL> (491)
http://www.selleckchem.com/products/Nalidixic-acid(NegGram).html

>  <CAS Number> (491)
389-08-2

$$$$
OROTIC ACID.cdx
csChFnd80/01151910432D

 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> (492)
492

>  <Formula> (492)
C5H4N2O4

>  <MolWeight> (492)
156.09626

>  <Item Name> (492)
Orotic acid (6-Carboxyuracil)

>  <Catalog Number> (492)
S2336

>  <Synonyms> (492)
6-Carboxyuracil, Orodin, Oropur, Orotonin, Orotonsan 

>  <Target> (492)
Others

>  <Form> (492)
Free Base

>  <URL> (492)
http://www.selleckchem.com/products/Orotic-acid(6-Carboxyuracil).html

>  <CAS Number> (492)
65-86-1

$$$$
Oxymatrine.cdx
csChFnd80/01151910432D

 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
    1.2166    7.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
  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> (493)
493

>  <Formula> (493)
C15H24N2O2

>  <MolWeight> (493)
264.36326

>  <Item Name> (493)
Oxymatrine (Matrine N-oxide)

>  <Catalog Number> (493)
S2338

>  <Synonyms> (493)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (493)
Others

>  <Form> (493)
Free Base

>  <URL> (493)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

>  <CAS Number> (493)
16837-52-8 

$$$$
Parthenolide.cdx
csChFnd80/01151910432D

 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
 12 13  1  0  0  0  0
  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> (494)
494

>  <Formula> (494)
C15H20O3

>  <MolWeight> (494)
248.3175

>  <Item Name> (494)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (494)
S2341

>  <Synonyms> (494)
N/A 

>  <Target> (494)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (494)
Free Base

>  <URL> (494)
http://www.selleckchem.com/products/Parthenolide((-)-Parthenolide).html

>  <CAS Number> (494)
20554-84-1

$$$$
Piperine.cdx
csChFnd80/01151910432D

 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
    1.2124    4.2000    0.0000 N   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
    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
    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
    8.4870    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
    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
   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
    0.0042    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
  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  2  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
 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
 16 18  1  0  0  0  0
 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> (495)
495

>  <Formula> (495)
C17H19NO3

>  <MolWeight> (495)
285.33766

>  <Item Name> (495)
Piperine (1-Piperoylpiperidine)

>  <Catalog Number> (495)
S2344

>  <Synonyms> (495)
Piperin 

>  <Target> (495)
P450 (e.g. CYP17)

>  <Form> (495)
Free Base

>  <URL> (495)
http://www.selleckchem.com/products/Piperine(1-Piperoylpiperidine).html

>  <CAS Number> (495)
94-62-2 

$$$$
Puerarin.cdx
csChFnd80/01151910432D

 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
    8.3506    5.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.7086    2.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1946    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5535    5.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8646    4.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5058    2.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4754    4.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0756    4.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950    3.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1142    2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140    2.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9056    2.4117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.4305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6347    1.2166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0343    1.2166    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7048    2.4117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0343    3.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6347    3.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0999    2.4117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9518    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7393    4.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7393    0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0492    6.0233    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
  8 11  1  0  0  0  0
  7 12  2  0  0  0  0
  4 13  1  0  0  0  0
  3 14  1  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 11  1  0  0  0  0
 20 14  1  6  0  0  0
 17 21  1  0  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 20  1  0  0  0  0
 24 27  1  1  0  0  0
 22 28  1  1  0  0  0
 25 29  1  6  0  0  0
 23 30  1  6  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (496)
496

>  <Formula> (496)
C21H20O10

>  <MolWeight> (496)
432.3775

>  <Item Name> (496)
Puerarin (Kakonein)

>  <Catalog Number> (496)
S2346

>  <Synonyms> (496)
NPI-31G 

>  <Target> (496)
5-HT Receptor

>  <Form> (496)
Free Base

>  <URL> (496)
http://www.selleckchem.com/products/Puerarin(Kakonein).html

>  <CAS Number> (496)
3681-99-0

$$$$
Quercetin dihydrate.cdx
csChFnd80/01151910432D

 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
    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
    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
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    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
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (497)
497

>  <Formula> (497)
C15H14O9

>  <MolWeight> (497)
338.26626

>  <Item Name> (497)
Quercetin dihydrate (Sophoretin)

>  <Catalog Number> (497)
S2347

>  <Synonyms> (497)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (497)
Others

>  <Form> (497)
Dihydrate

>  <URL> (497)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

>  <CAS Number> (497)
6151-25-3

$$$$
Rutin DAB10.cdx
csChFnd80/01151910432D

 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
    8.4744    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   13.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    3.4976    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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    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  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
    8.4744    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8413    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   11.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   15.3903    0.0000 O   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
    0.0000    1.3976    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
    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
    8.4744    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2927    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
 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  1  0  0  0
 17 18  1  0  0  0  0
 19 18  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 24  1  0  0  0  0
 24 19  1  0  0  0  0
  2 25  1  0  0  0  0
  1 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
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
  3 34  2  0  0  0  0
  7 35  1  0  0  0  0
  9 36  1  0  0  0  0
 11 25  1  1  0  0  0
 15 37  1  1  0  0  0
 22 38  1  1  0  0  0
 21 39  1  6  0  0  0
 23 40  1  6  0  0  0
 24 41  1  6  0  0  0
 14 42  1  6  0  0  0
 16 43  1  6  0  0  0
M  END
>  <Mol_ID> (498)
498

>  <Formula> (498)
C27H30O16

>  <MolWeight> (498)
610.5175

>  <Item Name> (498)
Rutin (Rutoside)

>  <Catalog Number> (498)
S2350

>  <Synonyms> (498)
Quercetin 3-rutinoside, Rutin trihydrate, Phytomelin, Birutan, Sophorin, Venoruton, Eldrin 

>  <Target> (498)
NULL

>  <Form> (498)
Free Base

>  <URL> (498)
http://www.selleckchem.com/products/Rutin(Rutoside).html

>  <CAS Number> (498)
153-18-4

$$$$
Salicin.cdx
csChFnd80/01151910432D

 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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    3.4951    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    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2903    0.0000 O   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
    0.0000    3.4927    0.0000 O   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
    3.6331    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
  4  7  1  6  0  0  0
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  9 10  1  0  0  0  0
  5 10  1  1  0  0  0
  8 11  1  0  0  0  0
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 14  9  1  0  0  0  0
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  1 17  1  1  0  0  0
 17 18  1  0  0  0  0
  2 19  1  6  0  0  0
  3 20  1  1  0  0  0
M  END
>  <Mol_ID> (499)
499

>  <Formula> (499)
C13H18O7

>  <MolWeight> (499)
286.27782

>  <Item Name> (499)
Salicin (Salicoside, Salicine)

>  <Catalog Number> (499)
S2351

>  <Synonyms> (499)
Salicoside, Salicine

>  <Target> (499)
COX

>  <Form> (499)
Free Base

>  <URL> (499)
http://www.selleckchem.com/products/Salicin(Salicoside,-Salicine).html

>  <CAS Number> (499)
138-52-3

$$$$
Isoliquiritigenin.cdx
csChFnd80/01151910432D

 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
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 10 12  2  0  0  0  0
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 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> (500)
500

>  <Formula> (500)
C15H12O4

>  <MolWeight> (500)
256.25338

>  <Item Name> (500)
Isoliquiritigenin

>  <Catalog Number> (500)
S2404

>  <Synonyms> (500)
N/A

>  <Target> (500)
Others

>  <Form> (500)
Free Base

>  <URL> (500)
http://www.selleckchem.com/products/Isoliquiritigenin.html

>  <CAS Number> (500)
961-29-5

$$$$
Curcumol.cdx
csChFnd80/01151910432D

 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
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    2.7265    4.2455    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
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  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
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 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> (501)
501

>  <Formula> (501)
C15H24O2

>  <MolWeight> (501)
236.34986

>  <Item Name> (501)
Curcumol

>  <Catalog Number> (501)
S2407

>  <Synonyms> (501)
N/A

>  <Target> (501)
JAK

>  <Form> (501)
Free Base

>  <URL> (501)
http://www.selleckchem.com/products/Curcumol.html

>  <CAS Number> (501)
4871-97-0

$$$$
Amantadine HCl.cdx
csChFnd80/01151910432D

 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> (502)
502

>  <Formula> (502)
C10H18ClN

>  <MolWeight> (502)
187.70962

>  <Item Name> (502)
Amantadine hydrochloride (Symmetrel)

>  <Catalog Number> (502)
S2451

>  <Synonyms> (502)
Symmetrel

>  <Target> (502)
Dopamine Receptor

>  <Form> (502)
Hydrochloride

>  <URL> (502)
selleckchem.com/products/Amantadine-hydrochloride(Symmetrel).html

>  <CAS Number> (502)
665-66-7

$$$$
Amfebutamone HCl.cdx
csChFnd80/01151910432D

 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
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    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
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 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> (503)
503

>  <Formula> (503)
C13H19Cl2NO

>  <MolWeight> (503)
276.20206

>  <Item Name> (503)
Amfebutamone (Bupropion) HCl

>  <Catalog Number> (503)
S2452

>  <Synonyms> (503)
Wellbutrin, Zyban, Budeprion

>  <Target> (503)
Dopamine Receptor

>  <Form> (503)
Hydrochloride

>  <URL> (503)
http://www.selleckchem.com/products/Amfebutamone-hydrochloride(Bupropion).html

>  <CAS Number> (503)
31677-93-7

$$$$
Benserazide hydrochloride.cdx
csChFnd80/01151910432D

 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
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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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  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
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 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> (504)
504

>  <Formula> (504)
C10H16ClN3O5

>  <MolWeight> (504)
293.70414

>  <Item Name> (504)
Benserazide HCl

>  <Catalog Number> (504)
S2453

>  <Synonyms> (504)
Ro-4-4602

>  <Target> (504)
Dopamine Receptor

>  <Form> (504)
Hydrochloride

>  <URL> (504)
selleckchem.com/products/Benserazide-hydrochloride(Serazide).html

>  <CAS Number> (504)
14919-77-8

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/01151910432D

 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
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  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> (505)
505

>  <Formula> (505)
C18H29ClN2O

>  <MolWeight> (505)
324.88866

>  <Item Name> (505)
Bupivacaine hydrochloride (Marcain)

>  <Catalog Number> (505)
S2454

>  <Synonyms> (505)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (505)
Sodium Channel

>  <Form> (505)
Hydrochloride

>  <URL> (505)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

>  <CAS Number> (505)
18010-40-7

$$$$
Carbamyl-beta-methylcholine chloride.cdx
csChFnd80/01151910432D

 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> (506)
506

>  <Formula> (506)
C7H17ClN2O2

>  <MolWeight> (506)
196.67508

>  <Item Name> (506)
Bethanechol chloride

>  <Catalog Number> (506)
S2455

>  <Synonyms> (506)
N/A 

>  <Target> (506)
AChR

>  <Form> (506)
quaternary-N Chloride salt

>  <URL> (506)
selleckchem.com/products/Carbamyl-beta-methylcholine-chloride(Bethanechol-chloride).html

>  <CAS Number> (506)
590-63-6

$$$$
Chlorpromazine HCl.cdx
csChFnd80/01151910432D

 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> (507)
507

>  <Formula> (507)
C17H20Cl2N2S

>  <MolWeight> (507)
355.3251

>  <Item Name> (507)
Chlorpromazine HCl

>  <Catalog Number> (507)
S2456

>  <Synonyms> (507)
Sonazine

>  <Target> (507)
Dopamine Receptor, Potassium Channel

>  <Form> (507)
Hydrochloride

>  <URL> (507)
http://www.selleckchem.com/products/Chlorpromazine-hydrochloride(Sonazine).html

>  <CAS Number> (507)
69-09-0

$$$$
Clonidine HCl.cdx
csChFnd80/01151910432D

 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> (508)
508

>  <Formula> (508)
C9H10Cl3N3

>  <MolWeight> (508)
266.5548

>  <Item Name> (508)
Clonidine hydrochloride (Catapres)

>  <Catalog Number> (508)
S2458

>  <Synonyms> (508)
Catapres

>  <Target> (508)
Adrenergic Receptor

>  <Form> (508)
Hydrochloride

>  <URL> (508)
http://www.selleckchem.com/products/Clonidine-hydrochloride(Catapres).html

>  <CAS Number> (508)
4205-91-8

$$$$
Clozapine.cdx
csChFnd80/01151910432D

 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> (509)
509

>  <Formula> (509)
C18H19ClN4

>  <MolWeight> (509)
326.82326

>  <Item Name> (509)
Clozapine (Clozaril)

>  <Catalog Number> (509)
S2459

>  <Synonyms> (509)
Leponex, Fazaclo

>  <Target> (509)
5-HT Receptor

>  <Form> (509)
Free Base

>  <URL> (509)
http://www.selleckchem.com/products/Clozapine(Clozaril).html

>  <CAS Number> (509)
5786-21-0

$$$$
Dehydroepiandrosterone.cdx
csChFnd80/01151910432D

 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> (510)
510

>  <Formula> (510)
C19H28O2

>  <MolWeight> (510)
288.42442

>  <Item Name> (510)
Dehydroepiandrosterone (DHEA)

>  <Catalog Number> (510)
S2604

>  <Synonyms> (510)
DHEA

>  <Target> (510)
Androgen Receptor

>  <Form> (510)
Free Base

>  <URL> (510)
http://www.selleckchem.com/products/Dehydroepiandrosterone(DHEA).html

>  <CAS Number> (510)
53-43-0

$$$$
Domperidone.cdx
csChFnd80/01151910432D

 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> (511)
511

>  <Formula> (511)
C22H24ClN5O2

>  <MolWeight> (511)
425.91126

>  <Item Name> (511)
Domperidone (Motilium)

>  <Catalog Number> (511)
S2461

>  <Synonyms> (511)
Motilium, Motillium, Motinorm, Costi 

>  <Target> (511)
Dopamine Receptor

>  <Form> (511)
Free Base

>  <URL> (511)
http://www.selleckchem.com/products/Domperidone(Motilium).html

>  <CAS Number> (511)
57808-66-9

$$$$
Estriol.cdx
csChFnd80/01151910432D

 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
    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  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> (512)
512

>  <Formula> (512)
C18H24O3

>  <MolWeight> (512)
288.38136

>  <Item Name> (512)
Estriol

>  <Catalog Number> (512)
S2466

>  <Synonyms> (512)
Oestriol

>  <Target> (512)
Estrogen/progestogen Receptor

>  <Form> (512)
Free Base

>  <URL> (512)
http://www.selleckchem.com/products/Estriol(Oestriol).html

>  <CAS Number> (512)
50-27-1

$$$$
Famciclovir.cdx
csChFnd80/01151910432D

 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
    2.5439    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (513)
513

>  <Formula> (513)
C14H19N5O4

>  <MolWeight> (513)
321.33176

>  <Item Name> (513)
Famciclovir (Famvir)

>  <Catalog Number> (513)
S2467

>  <Synonyms> (513)
Famvir

>  <Target> (513)
Antifection

>  <Form> (513)
Free Base

>  <URL> (513)
http://www.selleckchem.com/products/Famciclovir(Famvir).html

>  <CAS Number> (513)
104227-87-4

$$$$
Fenbendazole.cdx
csChFnd80/01151910432D

 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> (514)
514

>  <Formula> (514)
C15H13N3O2S

>  <MolWeight> (514)
299.34762

>  <Item Name> (514)
Fenbendazole (Panacur)

>  <Catalog Number> (514)
S2468

>  <Synonyms> (514)
 Panacur, Safe-Guard

>  <Target> (514)
Antifection

>  <Form> (514)
Free Base

>  <URL> (514)
http://www.selleckchem.com/products/Fenbendazole(Panacur).html

>  <CAS Number> (514)
43210-67-9

$$$$
Gallamine triethiodide.cdx
csChFnd80/01151910432D

 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
   12.4540    7.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0540    9.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7540   10.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3187    8.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    5.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (515)
515

>  <Formula> (515)
C30H60I3N3O3

>  <MolWeight> (515)
891.52911

>  <Item Name> (515)
Gallamine triethiodide (Flaxedil)

>  <Catalog Number> (515)
S2471

>  <Synonyms> (515)
Flaxedil

>  <Target> (515)
AChR

>  <Form> (515)
tri-quaternary-N iodide salt

>  <URL> (515)
http://www.selleckchem.com/products/Gallamine-triethiodide(Flaxedil).html

>  <CAS Number> (515)
65-29-2

$$$$
Hexestrol.cdx
csChFnd80/01151910432D

 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
    3.6331    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   11.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    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
    6.0496    5.5927    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
    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    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
  6  7  1  0  0  0  0
  8  3  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  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
  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> (516)
516

>  <Formula> (516)
C18H22O2

>  <MolWeight> (516)
270.36608

>  <Item Name> (516)
Hexestrol (Bibenzyl)

>  <Catalog Number> (516)
S2473

>  <Synonyms> (516)
Bibenzyl, Cycloestrol, Dihydro-stilbestro, Dihydrostilbestrol, Estra-Plex 

>  <Target> (516)
Estrogen/progestogen Receptor

>  <Form> (516)
Free Base

>  <URL> (516)
http://www.selleckchem.com/products/Hexestrol(Bibenzyl).html

>  <CAS Number> (516)
84-16-2

$$$$
Imatinib.cdx
csChFnd80/01151910432D

 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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    6.0496    6.9927    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
    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
    6.0496    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> (517)
517

>  <Formula> (517)
C29H31N7O

>  <MolWeight> (517)
493.60274

>  <Item Name> (517)
Imatinib (STI571) 

>  <Catalog Number> (517)
S2475 

>  <Synonyms> (517)
STI571, Glivec

>  <Form> (517)
Free Base

>  <URL> (517)
http://www.selleckchem.com/products/Imatinib(STI571).html

>  <CAS Number> (517)
152459-95-5

$$$$
Lincomycin  HCl.cdx
csChFnd80/01151910432D

 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
    4.8413    9.7368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    9.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0042    2.7441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7441    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    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> (518)
518

>  <Formula> (518)
C18H35ClN2O6S

>  <MolWeight> (518)
442.9983

>  <Item Name> (518)
Lincomycin hydrochloride (Lincocin)

>  <Catalog Number> (518)
S2479

>  <Synonyms> (518)
Lincocin

>  <Target> (518)
Antifection

>  <Form> (518)
Hydrochloride

>  <URL> (518)
http://www.selleckchem.com/products/Lincomycin-hydrochloride(Lincocin).html

>  <CAS Number> (518)
859-18-7

$$$$
Loperamide HCl.cdx
csChFnd80/01151910432D

 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
    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  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 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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    9.6869    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   13.3115    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9051    5.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8850    5.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2675    7.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2775    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9252    7.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5629    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5528    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2373    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2273    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8649    7.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5126    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5227    7.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1555    0.6854    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
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  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
  8 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  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 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
 24 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 24  1  0  0  0  0
M  END
>  <Mol_ID> (519)
519

>  <Formula> (519)
C29H34Cl2N2O2

>  <MolWeight> (519)
513.49846

>  <Item Name> (519)
Loperamide hydrochloride

>  <Catalog Number> (519)
S2480

>  <Synonyms> (519)
N/A

>  <Target> (519)
Opioid Receptor

>  <Form> (519)
Hydrochloride

>  <URL> (519)
http://www.selleckchem.com/products/Loperamide-hydrochloride.html

>  <CAS Number> (519)
34552-83-5

$$$$
Manidipine.cdx
csChFnd80/01151910432D

 45 49  0  0  0  0  0  0  0  0999 V2000
    3.6289    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    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
    6.0538    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (520)
520

>  <Formula> (520)
C35H38N4O6

>  <MolWeight> (520)
610.69942

>  <Item Name> (520)
Manidipine (Manyper)

>  <Catalog Number> (520)
S2481

>  <Synonyms> (520)
Artedil, Iperten 

>  <Target> (520)
Calcium Channel

>  <Form> (520)
Free Base

>  <URL> (520)
http://www.selleckchem.com/products/Manidipine(Manyper).html

>  <CAS Number> (520)
89226-50-6

$$$$
PCI-32765.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (521)
521

>  <Formula> (521)
C25H24N6O2

>  <MolWeight> (521)
440.49706

>  <Item Name> (521)
PCI-32765 (Ibrutinib)

>  <Catalog Number> (521)
S2680

>  <Synonyms> (521)
N/A

>  <Target> (521)
Src

>  <Form> (521)
Free Base

>  <URL> (521)
http://www.selleckchem.com/products/pci-32765.html

>  <CAS Number> (521)
936563-96-1

$$$$
Milrinone.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (522)
522

>  <Formula> (522)
C12H9N3O

>  <MolWeight> (522)
211.21936

>  <Item Name> (522)
Milrinone (Primacor)

>  <Catalog Number> (522)
S2484

>  <Synonyms> (522)
Primacor

>  <Target> (522)
ATPase

>  <Form> (522)
Free Base

>  <URL> (522)
http://www.selleckchem.com/products/Milrinone(Primacor).html

>  <CAS Number> (522)
78415-72-2

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (523)
523

>  <Formula> (523)
C22H30Cl2N4O6

>  <MolWeight> (523)
517.4028

>  <Item Name> (523)
Mitoxantrone 2HCl

>  <Catalog Number> (523)
S2485

>  <Synonyms> (523)
NSC-301739

>  <Target> (523)
Topoisomerase

>  <Form> (523)
Dihydrochloride

>  <URL> (523)
http://www.selleckchem.com/products/Mitoxantrone.html

>  <CAS Number> (523)
70476-82-3

$$$$
Moroxydine HCl.cdx
csChFnd80/01151910432D

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    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 N   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 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
  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
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (524)
524

>  <Formula> (524)
C6H14ClN5O

>  <MolWeight> (524)
207.66126

>  <Item Name> (524)
Moroxydine HCl

>  <Catalog Number> (524)
S2486

>  <Synonyms> (524)
N/A

>  <Target> (524)
Antifection

>  <Form> (524)
Hydrochloride

>  <URL> (524)
http://www.selleckchem.com/products/Moroxydine-hydrochloride.html

>  <CAS Number> (524)
3160-91-6

$$$$
Mycophenolic acid.cdx
csChFnd80/01151910432D

 23 24  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
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918    5.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (525)
525

>  <Formula> (525)
C17H20O6

>  <MolWeight> (525)
320.3371

>  <Item Name> (525)
Mycophenolic acid

>  <Catalog Number> (525)
S2487

>  <Synonyms> (525)
Mycophenolate, RS-61443

>  <Target> (525)
Dehydrogenase

>  <Form> (525)
Free Base

>  <URL> (525)
http://www.selleckchem.com/products/Mycophenolic-acid(Mycophenolate).html

>  <CAS Number> (525)
24280-93-1

$$$$
nateglinide.cdx
csChFnd80/01151910432D

 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> (526)
526

>  <Formula> (526)
C19H27NO3

>  <MolWeight> (526)
317.42258

>  <Item Name> (526)
Nateglinide (Starlix)

>  <Catalog Number> (526)
S2489

>  <Synonyms> (526)
Starlix

>  <Target> (526)
Potassium Channel

>  <Form> (526)
Free Base

>  <URL> (526)
http://www.selleckchem.com/products/Nateglinide(Starlix).html

>  <CAS Number> (526)
105816-04-4

$$$$
Nitrendipine.cdx
csChFnd80/01151910432D

 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> (527)
527

>  <Formula> (527)
C18H20N2O6

>  <MolWeight> (527)
360.3612

>  <Item Name> (527)
Nitrendipine

>  <Catalog Number> (527)
S2491

>  <Synonyms> (527)
N/A

>  <Target> (527)
Calcium Channel

>  <Form> (527)
Free Base

>  <URL> (527)
http://www.selleckchem.com/products/Nitrendipine.html

>  <CAS Number> (527)
39562-70-4

$$$$
Novobiocin sodium.cdx
csChFnd80/01151910432D

 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
 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  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> (528)
528

>  <Formula> (528)
C31H35N2NaO11

>  <MolWeight> (528)
634.60617

>  <Item Name> (528)
Novobiocin sodium (Albamycin)

>  <Catalog Number> (528)
S2492

>  <Synonyms> (528)
Albamycin, Cathomycin

>  <Target> (528)
Topoisomerase

>  <Form> (528)
Sodium Salt

>  <URL> (528)
www.selleckchem.com/products/Novobiocin-sodium(Albamycin).html

>  <CAS Number> (528)
1476-53-5

$$$$
Olanzapine.cdx
csChFnd80/01151910432D

 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> (529)
529

>  <Formula> (529)
C17H20N4S

>  <MolWeight> (529)
312.4325

>  <Item Name> (529)
Olanzapine (Zyprexa)

>  <Catalog Number> (529)
S2493

>  <Synonyms> (529)
Zyprexa, Zalasta, Zolafren, Olzapin, Oferta, Zypadhera 

>  <Target> (529)
5-HT Receptor, Dopamine Receptor

>  <Form> (529)
Free Base

>  <URL> (529)
http://www.selleckchem.com/products/Olanzapine(Zyprexa).html

>  <CAS Number> (529)
132539-06-1

$$$$
Olopatadine HCl.cdx
csChFnd80/01151910432D

 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
    3.2370    8.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    7.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    6.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    7.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    5.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    5.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    5.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    5.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    7.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    7.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3534    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3534    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5616    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851    4.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9183    5.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9410    4.1666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2287    6.4757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7551    0.3500    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
  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
  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  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
 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> (530)
530

>  <Formula> (530)
C21H24ClNO3

>  <MolWeight> (530)
373.87316

>  <Item Name> (530)
Olopatadine hydrochloride (Opatanol)

>  <Catalog Number> (530)
S2494

>  <Synonyms> (530)
Opatanol, Pataday, Patanase, Allelock 

>  <Target> (530)
Histamine Receptor

>  <Form> (530)
Hydrochloride

>  <URL> (530)
http://www.selleckchem.com/products/Olopatadine-hydrochloride(Opatanol).html

>  <CAS Number> (530)
140462-76-6

$$$$
Ozagrel.cdx
csChFnd80/01151910432D

 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
   11.8900    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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> (531)
531

>  <Formula> (531)
C13H12N2O2

>  <MolWeight> (531)
228.24658

>  <Item Name> (531)
Ozagrel

>  <Catalog Number> (531)
S2496

>  <Synonyms> (531)
OKY 046 

>  <Target> (531)
Factor Xa

>  <Form> (531)
Free Base

>  <URL> (531)
http://www.selleckchem.com/products/Ozagrel.html

>  <CAS Number> (531)
82571-53-7

$$$$
Pancuronium bromide.cdx
csChFnd80/01151910432D

 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
    8.4828    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  2  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6953    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6953    6.2951    0.0000 C   0  0  2  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
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0268    4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8497    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0268    6.7278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.8927    0.0000 N   0  3  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
    8.4828    5.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4579    8.0546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2448    5.5951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    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
    0.0000    4.8927    0.0000 C   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
    3.6373    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    0.0000    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
   10.5243    9.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9555   10.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1597    8.8013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9448    4.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3448    4.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0448    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3448    6.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9448    6.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5448    4.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7224    5.2092    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    7.3224    5.2092    0.0000 Br  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
  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
  1 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
 16 23  1  1  0  0  0
  2 24  1  6  0  0  0
  4 25  1  6  0  0  0
 10 26  1  6  0  0  0
 11 27  1  6  0  0  0
 18 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 18  1  0  0  0  0
 18 33  1  0  0  0  0
 24 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 22 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 23 40  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
 44 23  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
>  <Mol_ID> (532)
532

>  <Formula> (532)
C35H60Br2N2O4

>  <MolWeight> (532)
732.6699

>  <Item Name> (532)
Pancuronium dibromide

>  <Catalog Number> (532)
S2497

>  <Synonyms> (532)
N/A

>  <Target> (532)
AChR

>  <Form> (532)
di-quaternary-N bromide salt

>  <URL> (532)
http://www.selleckchem.com/products/Pancuronium-bromide(Pavulon).html

>  <CAS Number> (532)
15500-66-0

$$$$
GSK2126458.cdx
csChFnd80/01151910432D

 36 40  0  0  0  0  0  0  0  0999 V2000
    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
    2.4249   10.5000    0.0000 C   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
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   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
    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
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M  END
>  <Mol_ID> (533)
533

>  <Formula> (533)
C25H17F2N5O3S

>  <MolWeight> (533)
505.4959864

>  <Item Name> (533)
Omipalisib (GSK2126458, GSK458)

>  <Catalog Number> (533)
S2658

>  <Synonyms> (533)
N/A 

>  <Target> (533)
PI3K, mTOR

>  <Form> (533)
Free Base

>  <URL> (533)
http://www.selleckchem.com/products/gsk2126458.html

>  <CAS Number> (533)
1086062-66-9 

$$$$
Quinine hydrochloride dihydrate.cdx
csChFnd80/01151910432D

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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (534)
534

>  <Formula> (534)
C20H29ClN2O4

>  <MolWeight> (534)
396.90826

>  <Item Name> (534)
Quinine hydrochloride dihydrate

>  <Catalog Number> (534)
S2502

>  <Synonyms> (534)
N/A

>  <Target> (534)
Potassium Channel

>  <Form> (534)
Hydrochloride dihydrate

>  <URL> (534)
http://www.selleckchem.com/products/Quinine-hydrochloride-dihydrate.html

>  <CAS Number> (534)
6119-47-7 

$$$$
Racecadotril.cdx
csChFnd80/01151910432D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (535)
535

>  <Formula> (535)
C21H23NO4S

>  <MolWeight> (535)
385.47662

>  <Item Name> (535)
Racecadotril (Acetorphan)

>  <Catalog Number> (535)
S2503

>  <Synonyms> (535)
Acetorphan

>  <Target> (535)
Opioid Receptor

>  <Form> (535)
Free Base

>  <URL> (535)
http://www.selleckchem.com/products/Racecadotril(Acetorphan).html

>  <CAS Number> (535)
81110-73-8

$$$$
Ribavirin.cdx
csChFnd80/01151910432D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (536)
536

>  <Formula> (536)
C8H12N4O5

>  <MolWeight> (536)
244.20468

>  <Item Name> (536)
Ribavirin (Copegus)

>  <Catalog Number> (536)
S2504

>  <Synonyms> (536)
Rebetol, Ribasphere, Vilona, Virazole 

>  <Target> (536)
Antifection

>  <Form> (536)
Free Base

>  <URL> (536)
http://www.selleckchem.com/products/Ribavirin(Copegus).html

>  <CAS Number> (536)
36791-04-5

$$$$
Scopolamine hydrobromide.cdx
csChFnd80/01151910432D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (537)
537

>  <Formula> (537)
C17H22BrNO4

>  <MolWeight> (537)
384.26488

>  <Item Name> (537)
Scopolamine hydrobromide

>  <Catalog Number> (537)
S2508

>  <Synonyms> (537)
N/A

>  <Target> (537)
AChR

>  <Form> (537)
Hydrobromide

>  <URL> (537)
http://www.selleckchem.com/products/Scopolamine-hydrobromide.html

>  <CAS Number> (537)
114-49-8

$$$$
Sotalol HCl.cdx
csChFnd80/01151910432D

 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> (538)
538

>  <Formula> (538)
C12H21ClN2O3S

>  <MolWeight> (538)
308.82474

>  <Item Name> (538)
Sotalol HCl

>  <Catalog Number> (538)
S2509

>  <Synonyms> (538)
Sotalex

>  <Target> (538)
Adrenergic Receptor

>  <Form> (538)
Hydrochloride

>  <URL> (538)
http://www.selleckchem.com/products/Sotalol-hydrochloride(Betapace).html

>  <CAS Number> (538)
959-24-0

$$$$
Spectinomycin  HCl.cdx
csChFnd80/01151910432D

 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> (539)
539

>  <Formula> (539)
C14H26Cl2N2O7

>  <MolWeight> (539)
405.27144

>  <Item Name> (539)
Spectinomycin 2HCl

>  <Catalog Number> (539)
S2510

>  <Synonyms> (539)
Actinospectacin

>  <Target> (539)
Antifection

>  <Form> (539)
dihydrochloride

>  <URL> (539)
www.selleckchem.com/products/Spectinomycin--hydrochloride.html

>  <CAS Number> (539)
21736-83-4

$$$$
Sulfadoxine.cdx
csChFnd80/01151910432D

 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> (540)
540

>  <Formula> (540)
C12H14N4O4S

>  <MolWeight> (540)
310.32896

>  <Item Name> (540)
Sulfadoxine (Sulphadoxine)

>  <Catalog Number> (540)
S2511

>  <Synonyms> (540)
Sulphadoxine

>  <Target> (540)
Antifection

>  <Form> (540)
Free Base

>  <URL> (540)
http://www.selleckchem.com/products/Sulfadoxine(Sulphadoxine).html

>  <CAS Number> (540)
2447-57-6

$$$$
Terbinafine hydrochloride.cdx
csChFnd80/01151910432D

 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> (541)
541

>  <Formula> (541)
C21H26ClN

>  <MolWeight> (541)
327.89084

>  <Item Name> (541)
Terbinafine hydrochloride (Lamisil)

>  <Catalog Number> (541)
S2557

>  <Synonyms> (541)
Zabel

>  <Target> (541)
Antifection

>  <Form> (541)
Hydrochloride

>  <URL> (541)
www.selleckchem.com/products/Terbinafine-hydrochloride(Zabel).html

>  <CAS Number> (541)
78628-80-5

$$$$
Vardenafil hydrochloride trihydrate.cdx
csChFnd80/01151910432D

 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
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   10.9098    5.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   14.5429    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 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> (542)
542

>  <Formula> (542)
C23H39ClN6O7S

>  <MolWeight> (542)
579.10976

>  <Item Name> (542)
Vardenafil Hydrochloride Trihydrate (Vivanza

>  <Catalog Number> (542)
S2515

>  <Synonyms> (542)
Levitra 

>  <Target> (542)
PDE

>  <Form> (542)
Hydrochloride trihydrate

>  <URL> (542)
http://www.selleckchem.com/products/Vardenafil(Vivanza).html

>  <CAS Number> (542)
224785-90-4

$$$$
Maprotiline hydrochloride.cdx
csChFnd80/01151910432D

 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> (543)
543

>  <Formula> (543)
C20H24ClN

>  <MolWeight> (543)
313.86426

>  <Item Name> (543)
Maprotiline hydrochloride

>  <Catalog Number> (543)
S2517

>  <Synonyms> (543)
Deprilept, Ludiomil, Psymion

>  <Target> (543)
Reuptake inhibitor

>  <Form> (543)
Hydrochloride

>  <URL> (543)
http://www.selleckchem.com/products/Maprotiline-hydrochloride.html

>  <CAS Number> (543)
10347-81-6

$$$$
Naphazoline hydrochloride.cdx
csChFnd80/01151910432D

 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> (544)
544

>  <Formula> (544)
C14H15ClN2

>  <MolWeight> (544)
246.7353

>  <Item Name> (544)
Naphazoline hydrochloride (Naphcon)

>  <Catalog Number> (544)
S2519

>  <Synonyms> (544)
Naphcon, Albalon

>  <Target> (544)
Adrenergic Receptor

>  <Form> (544)
Hydrochloride

>  <URL> (544)
http://www.selleckchem.com/products/Naphazoline-hydrochloride-Naphcon.html

>  <CAS Number> (544)
550-99-2

$$$$
Epinephrine bitartrate.cdx
csChFnd80/01151910432D

 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> (545)
545

>  <Formula> (545)
C13H19NO9

>  <MolWeight> (545)
333.29126

>  <Item Name> (545)
Epinephrine bitartrate (Adrenalinium)

>  <Catalog Number> (545)
S2521

>  <Synonyms> (545)
D02149, Adrenalinetartrate, Adrenaline tatrate, Epinephrine Acid Tartrate 

>  <Target> (545)
Adrenergic Receptor

>  <Form> (545)
tartrate

>  <URL> (545)
http://www.selleckchem.com/products/Epinephrine-bitartrate-Adrenalinium.html

>  <CAS Number> (545)
51-42-3

$$$$
L-Adrenaline.cdx
csChFnd80/01151910432D

 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> (546)
546

>  <Formula> (546)
C9H13NO3

>  <MolWeight> (546)
183.20442

>  <Item Name> (546)
L-Adrenaline (Epinephrine)

>  <Catalog Number> (546)
S2522

>  <Synonyms> (546)
Adrenaline, d-Adrenaline, Adnephrine, Adrenalin, Chelafrin, Epinefrina, Epinephran, Epirenan, Exadri 

>  <Target> (546)
Adrenergic Receptor

>  <Form> (546)
Free Base

>  <URL> (546)
http://www.selleckchem.com/products/L-Adrenaline-Epinephrine.html

>  <CAS Number> (546)
51-43-4

$$$$
Phenytoin sodium.cdx
csChFnd80/01151910432D

 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> (547)
547

>  <Formula> (547)
C15H11N2NaO2

>  <MolWeight> (547)
274.24981

>  <Item Name> (547)
Phenytoin sodium (Dilantin)

>  <Catalog Number> (547)
S2524

>  <Synonyms> (547)
Aleviatin, Diphenylhydantoin sodium, Eptoin, Phenytoin soluble, Prompt; Phenytek 

>  <Target> (547)
Sodium Channel

>  <Form> (547)
Sodium Salt

>  <URL> (547)
http://www.selleckchem.com/products/Phenytoin-sodium-Dilantin.html

>  <CAS Number> (547)
630-93-3

$$$$
Dopamine hydrochloride.cdx
csChFnd80/01151910432D

 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> (548)
548

>  <Formula> (548)
C8H12ClNO2

>  <MolWeight> (548)
189.63938

>  <Item Name> (548)
Dopamine hydrochloride (Inotropin)

>  <Catalog Number> (548)
S2529

>  <Synonyms> (548)
ASL 279, Cardiosteril, Dopamine Fresenius, Dopastat, Intropin, Rascordin, Revivan, Tensamin 

>  <Target> (548)
Dopamine Receptor

>  <Form> (548)
Hydrochloride 

>  <URL> (548)
http://www.selleckchem.com/products/Dopamine-hydrochloride-Inotropin.html

>  <CAS Number> (548)
62-31-7

$$$$
Ritodrine hydrochloride.cdx
csChFnd80/01151910432D

 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> (549)
549

>  <Formula> (549)
C17H22ClNO3

>  <MolWeight> (549)
323.81448

>  <Item Name> (549)
Ritodrine hydrochloride (Yutopar)

>  <Catalog Number> (549)
S2533

>  <Synonyms> (549)
DU 21220; Miolene; NSC 291565

>  <Target> (549)
Adrenergic Receptor

>  <Form> (549)
Hydrochloride

>  <URL> (549)
www.selleckchem.com/products/Ritodrine-hydrochloride-Yutopar.html

>  <CAS Number> (549)
23239-51-2

$$$$
Isoconazole nitrate.cdx
csChFnd80/01151910432D

 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
    0.0000    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.8350    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    6.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.9277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    8.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    9.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653   10.6111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959   10.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.6784    8.2325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1078    1.2082    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.8054    2.4165    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8054    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7127    1.2082    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
  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
 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
 11 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 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> (550)
550

>  <Formula> (550)
C18H15Cl4N3O4

>  <MolWeight> (550)
479.1414

>  <Item Name> (550)
Isoconazole nitrate (Travogen)

>  <Catalog Number> (550)
S2534

>  <Synonyms> (550)
Adestan G 100, Fazol, Gyno-Travogen, R 15454, Travogyn 

>  <Target> (550)
Antifection

>  <Form> (550)
Nitrate 

>  <URL> (550)
http://www.selleckchem.com/products/Isoconazole-nitrate-Travogen.html

>  <CAS Number> (550)
24168-96-5

$$$$
Econazole nitrate.cdx
csChFnd80/01151910432D

 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
    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
    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
   12.0991    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    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
   13.7489    3.6750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.4465    4.8832    0.0000 O   0  5  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
  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
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 14 15  1  0  0  0  0
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 18 13  1  0  0  0  0
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 10 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 20  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (551)
551

>  <Formula> (551)
C18H16Cl3N3O4

>  <MolWeight> (551)
444.69634

>  <Item Name> (551)
Econazole nitrate (Spectazole)

>  <Catalog Number> (551)
S2535

>  <Synonyms> (551)
Ecostatin, Epi-Pevaryl, Gyno-Pevaryl, Gynoryl, Ifenec, Micogin, NSC 243115, Palavale, Pevaryl 

>  <Target> (551)
Calcium Channel

>  <Form> (551)
Nitrate

>  <URL> (551)
http://www.selleckchem.com/products/Econazole-nitrate-Spectazole.html

>  <CAS Number> (551)
24169-02-6

$$$$
Secnidazole.cdx
csChFnd80/01151910432D

 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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    5.9765    4.8348    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2272    2.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2556    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0432    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2556    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
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  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  8 10  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (552)
552

>  <Formula> (552)
C7H11N3O3

>  <MolWeight> (552)
185.18054

>  <Item Name> (552)
Secnidazole (Flagentyl)

>  <Catalog Number> (552)
S2537

>  <Synonyms> (552)
PM 185184, RP 14539, Sindose, Secnil

>  <Target> (552)
Antifection

>  <Form> (552)
Free Base

>  <URL> (552)
http://www.selleckchem.com/products/Secnidazole-Flagentyl.html

>  <CAS Number> (552)
3366-95-8

$$$$
untitled.cdx
csChFnd80/01151910432D

 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
    6.2951    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    2.4595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2132    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2132    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7821    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0436    3.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7412    4.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7412    2.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1335    4.7666    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.4246    6.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2122    6.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1718    5.8993    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
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  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
  8 13  2  0  0  0  0
  2 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
 15 19  2  0  0  0  0
 17 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 23  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (553)
553

>  <Formula> (553)
C19H18ClN3O5S

>  <MolWeight> (553)
435.88132

>  <Item Name> (553)
Rivaroxaban (Xarelto)

>  <Catalog Number> (553)
S3002

>  <Synonyms> (553)
N/A 

>  <Target> (553)
Factor Xa

>  <Form> (553)
Free Base

>  <URL> (553)
http://www.selleckchem.com/products/Rivaroxaban.html

>  <CAS Number> (553)
366789-02-8

$$$$
fty720.cdx
csChFnd80/01151910432D

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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (554)
554

>  <Formula> (554)
C19H34ClNO2

>  <MolWeight> (554)
343.93176

>  <Item Name> (554)
Fingolimod (FTY720) HCl

>  <Catalog Number> (554)
S5002

>  <Synonyms> (554)
Gilenia 

>  <Target> (554)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (554)
Hydrochloride

>  <URL> (554)
http://www.selleckchem.com/products/FTY720.html

$$$$
P.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (555)
555

>  <Formula> (555)
C43H68ClNO11

>  <MolWeight> (555)
810.45312

>  <Item Name> (555)
Pimecrolimus

>  <Catalog Number> (555)
S5004

>  <Synonyms> (555)
Elidel, SDZ-ASM-981

>  <Target> (555)
Others

>  <Form> (555)
Free Base

>  <URL> (555)
http://www.selleckchem.com/products/Pimecrolimus.html

>  <CAS Number> (555)
137071-32-0

$$$$
CP-690550 citrate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (556)
556

>  <Formula> (556)
C22H28N6O8

>  <MolWeight> (556)
504.49312

>  <Item Name> (556)
Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (556)
S5001

>  <Synonyms> (556)
N/A 

>  <Target> (556)
JAK

>  <Form> (556)
Citrate

>  <URL> (556)
http://www.selleckchem.com/products/CP-690550.html

>  <CAS Number> (556)
540737-29-9

$$$$
Toremifene Citrate.cdx
csChFnd80/01151910432D

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Fareston, Acapodene

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Estrogen/progestogen Receptor

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Citrate 

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www.selleckchem.com/products/Toremifene-Citrate(Fareston).html

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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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>  <CAS Number> (559)
755038-65-4

$$$$
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 23 24  2  0  0  0  0
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 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (560)
560

>  <Formula> (560)
C20H16ClN5O3

>  <MolWeight> (560)
409.82574

>  <Item Name> (560)
Telatinib (BAY 57-9352)

>  <Catalog Number> (560)
S2231

>  <Synonyms> (560)
N/A 

>  <Target> (560)
VEGFR, PDGFR, c-Kit

>  <Form> (560)
Free Base

>  <URL> (560)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

>  <CAS Number> (560)
332012-40-5

$$$$
Clomipramine hydrochloride.cdx
csChFnd80/01151910432D

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.6481    4.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8309    3.8982    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 16  8  1  0  0  0  0
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 18 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
M  END
>  <Mol_ID> (561)
561

>  <Formula> (561)
C19H24Cl2N2

>  <MolWeight> (561)
351.31326

>  <Item Name> (561)
Clomipramine hydrochloride (Anafranil)

>  <Catalog Number> (561)
S2541

>  <Synonyms> (561)
Anafranil

>  <Target> (561)
5-HT Receptor

>  <Form> (561)
Hydrochloride

>  <URL> (561)
http://www.selleckchem.com/products/Clomipramine-hydrochloride-Anafranil.html

>  <CAS Number> (561)
17321-77-6

$$$$
Ceftiofur hydrochloride.cdx
csChFnd80/01151910432D

 37 39  0  0  0  0  0  0  0  0999 V2000
    8.6011    4.9146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0260    3.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0260    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    9.8136    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2342    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9887    2.8146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    3.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    2.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.6455    0.0000 S   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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 35 29  2  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (562)
562

>  <Formula> (562)
C19H18ClN5O7S3

>  <MolWeight> (562)
560.02352

>  <Item Name> (562)
Ceftiofur hydrochloride 

>  <Catalog Number> (562)
S2543

>  <Synonyms> (562)
N/A

>  <Target> (562)
Antifection

>  <Form> (562)
Hydrochloride 

>  <URL> (562)
http://www.selleckchem.com/products/Ceftiofur-hydrochloride.html

>  <CAS Number> (562)
103980-44-5

$$$$
Acetanilide.cdx
csChFnd80/01151910432D

 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    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
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
>  <Mol_ID> (563)
563

>  <Formula> (563)
C8H9NO

>  <MolWeight> (563)
135.16316

>  <Item Name> (563)
Acetanilide (Antifebrin)

>  <Catalog Number> (563)
S2538

>  <Synonyms> (563)
N-phenylacetamide, Acetanil, Acetamidobenzene, Acetylaniline, NSC 7636 

>  <Target> (563)
Others

>  <Form> (563)
Free Base

>  <URL> (563)
http://www.selleckchem.com/products/Acetanilide-Antifebrin.html

>  <CAS Number> (563)
103-84-4

$$$$
Phenformin hydrochloride.cdx
csChFnd80/01151910432D

 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
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    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
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M  END
>  <Mol_ID> (564)
564

>  <Formula> (564)
C10H16ClN5

>  <MolWeight> (564)
241.72054

>  <Item Name> (564)
Phenformin hydrochloride 

>  <Catalog Number> (564)
S2542

>  <Synonyms> (564)
N/A

>  <Target> (564)
AMPK

>  <Form> (564)
Hydrochloride 

>  <URL> (564)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

>  <CAS Number> (564)
834-28-6

$$$$
CK-1827452.cdx
csChFnd80/01151910432D

 29 31  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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 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (565)
565

>  <Formula> (565)
C20H24FN5O3

>  <MolWeight> (565)
401.4346632

>  <Item Name> (565)
Omecamtiv mecarbil (CK-1827452)

>  <Catalog Number> (565)
S2623

>  <Synonyms> (565)
CK-1827452, CK1827452 

>  <Target> (565)
ATPase

>  <Form> (565)
Free Base

>  <URL> (565)
http://www.selleckchem.com/products/Omecamtiv-mecarbil-CK-1827452.html

>  <CAS Number> (565)
873697-71-3

$$$$
OSI-027.cdx
csChFnd80/01151910432D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.1861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (566)
566

>  <Formula> (566)
C21H22N6O3

>  <MolWeight> (566)
406.43778

>  <Item Name> (566)
OSI-027

>  <Catalog Number> (566)
S2624

>  <Synonyms> (566)
N/A 

>  <Target> (566)
mTOR

>  <Form> (566)
Free Base

>  <URL> (566)
http://www.selleckchem.com/products/OSI027.html

>  <CAS Number> (566)
936890-98-1

$$$$
Trospium chloride.cdx
csChFnd80/01151910432D

 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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M  END
>  <Mol_ID> (567)
567

>  <Formula> (567)
C25H30ClNO3

>  <MolWeight> (567)
427.9636

>  <Item Name> (567)
Trospium chloride (Sanctura)

>  <Catalog Number> (567)
S2549

>  <Synonyms> (567)
Sanctura

>  <Target> (567)
AChR

>  <Form> (567)
quaternary-N chloride salt

>  <URL> (567)
http://www.selleckchem.com/products/Trospium-chloride-Sanctura.html

>  <CAS Number> (567)
10405-02-4

$$$$
Tolterodine tartrate.cdx
csChFnd80/01151910432D

 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
    2.4291    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> (568)
568

>  <Formula> (568)
C26H37NO7

>  <MolWeight> (568)
475.57448

>  <Item Name> (568)
Tolterodine tartrate (Detrol LA)

>  <Catalog Number> (568)
S2550

>  <Synonyms> (568)
Detrol LA, Kabi-2234, PNU-200583E 

>  <Target> (568)
AChR

>  <Form> (568)
Tartrate 

>  <URL> (568)
http://www.selleckchem.com/products/Tolterodine-tartrate-Detrol-LA.html

>  <CAS Number> (568)
124937-52-6

$$$$
WP1130.cdx
csChFnd80/01151910432D

 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> (569)
569

>  <Formula> (569)
C19H18BrN3O

>  <MolWeight> (569)
384.26972

>  <Item Name> (569)
Degrasyn (WP1130)

>  <Catalog Number> (569)
S2243

>  <Synonyms> (569)
N/A

>  <Target> (569)
DUB, Bcr-Abl

>  <Form> (569)
Free Base

>  <URL> (569)
http://www.selleckchem.com/products/WP1130.html

>  <CAS Number> (569)
856243-80-6

$$$$
Clomifene citrate.cdx
csChFnd80/01151910432D

 42 43  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    1.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    8.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6037    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    8.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    7.6061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    8.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    7.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    6.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6330    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  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
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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
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 17 18  2  0  0  0  0
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 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> (570)
570

>  <Formula> (570)
C32H36ClNO8

>  <MolWeight> (570)
598.08314

>  <Item Name> (570)
Clomifene citrate (Serophene)

>  <Catalog Number> (570)
S2561

>  <Synonyms> (570)
Clomid, Serophene, Milophene

>  <Target> (570)
Estrogen/progestogen Receptor

>  <Form> (570)
Citrate

>  <URL> (570)
http://www.selleckchem.com/products/Clomifene-citrate-Serophene.html

>  <CAS Number> (570)
50-41-9

$$$$
Cloxacillin sodium.cdx
csChFnd80/01151910432D

 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
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    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
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    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
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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  1  1  0  0  0  0
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  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
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 13 14  2  0  0  0  0
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 17 18  2  0  0  0  0
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  4 31  1  6  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (571)
571

>  <Formula> (571)
C19H19ClN3NaO6S

>  <MolWeight> (571)
475.87843

>  <Item Name> (571)
Cloxacillin sodium

>  <Catalog Number> (571)
S2564

>  <Synonyms> (571)
Cloxapen, Cloxacap, Orbenin

>  <Target> (571)
Antifection

>  <Form> (571)
Sodium Salt & hydrate

>  <URL> (571)
http://www.selleckchem.com/products/Cloxacillin-sodium-Cloxacap.html

>  <CAS Number> (571)
7081-44-9

$$$$
Niacin(acid).cdx
csChFnd80/01151910432D

  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
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    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> (572)
572

>  <Formula> (572)
C6H5NO2

>  <MolWeight> (572)
123.1094

>  <Item Name> (572)
Niacin (Nicotinic acid)

>  <Catalog Number> (572)
S1744 

>  <Synonyms> (572)
Vitamin B3, Niacinamide, Nicotinic acid

>  <Target> (572)
Vitamin

>  <Form> (572)
Free Base

>  <URL> (572)
http://www.selleckchem.com/products/Niacin(Nicotinic-acid).html

>  <CAS Number> (572)
59-67-6

$$$$
Cortisone acetate.cdx
csChFnd80/01151910432D

 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
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    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> (573)
573

>  <Formula> (573)
C23H30O6

>  <MolWeight> (573)
402.4807

>  <Item Name> (573)
Cortisone acetate (Cortone)

>  <Catalog Number> (573)
S2559

>  <Synonyms> (573)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (573)
Glucocorticoid Receptor

>  <Form> (573)
Free Base

>  <URL> (573)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

>  <CAS Number> (573)
50-04-4

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/01151910432D

 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> (574)
574

>  <Formula> (574)
C11H18ClNO3

>  <MolWeight> (574)
247.71852

>  <Item Name> (574)
Isoprenaline hydrochloride

>  <Catalog Number> (574)
S2566

>  <Synonyms> (574)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (574)
Adrenergic Receptor

>  <Form> (574)
Hydrochloride

>  <URL> (574)
http://www.selleckchem.com/products/Isoprenaline-hydrochloride.html

>  <CAS Number> (574)
51-30-9

$$$$
BKM-120.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (575)
575

>  <Formula> (575)
C18H21F3N6O2

>  <MolWeight> (575)
410.3935496

>  <Item Name> (575)
BKM120 (NVP-BKM120)

>  <Catalog Number> (575)
S2247 

>  <Synonyms> (575)
N/A 

>  <Target> (575)
PI3K

>  <Form> (575)
Free Base

>  <URL> (575)
http://www.selleckchem.com/products/BKM-120.html

>  <CAS Number> (575)
944396-07-0

$$$$
CX-4945.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (576)
576

>  <Formula> (576)
C19H12ClN3O2

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349.77048

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cx-4945 (Silmitasertib)

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S2248

>  <Synonyms> (576)
N/A 

>  <Target> (576)
PKC

>  <Form> (576)
Free Base

>  <URL> (576)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

>  <CAS Number> (576)
1009820-21-6

$$$$
LY2157299.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (577)
577

>  <Formula> (577)
C22H19N5O

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>  <Item Name> (577)
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>  <Synonyms> (577)
N/A 

>  <Target> (577)
TGF-beta/Smad

>  <Form> (577)
Free Base

>  <URL> (577)
http://www.selleckchem.com/products/ly2157299.html

>  <CAS Number> (577)
700874-72-2

$$$$
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csChFnd80/01151910432D

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578

>  <Formula> (578)
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>  <Synonyms> (578)
N/A 

>  <Target> (578)
Syk

>  <Form> (578)
Free Base

>  <URL> (578)
http://www.selleckchem.com/products/R7935788-Fostamatinib.html

>  <CAS Number> (578)
901119-35-5

$$$$
Edaravone.cdx
csChFnd80/01151910432D

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MK0822

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Cathepsin K

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Free Base

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http://www.selleckchem.com/products/Odanacatib-(MK0822).html

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603139-19-1

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N/A 

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IGF-1R

>  <Form> (584)
Free Base

>  <URL> (584)
http://www.selleckchem.com/products/BMS-754807.html

>  <CAS Number> (584)
1001350-96-4

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IPD 1151T

>  <Target> (585)
IL Receptor

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Tosylate

>  <URL> (585)
http://www.selleckchem.com/products/suplatast-tosilate.html

>  <CAS Number> (585)
94055-76-2

$$$$
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VEGFR

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mesylate

>  <URL> (586)
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811803-05-1

$$$$
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 17 23  1  1  0  0  0
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  7 25  1  6  0  0  0
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 17 27  1  6  0  0  0
 16 28  1  6  0  0  0
 27 29  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 23 32  1  0  0  0  0
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 32 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
M  END
>  <Mol_ID> (587)
587

>  <Formula> (587)
C26H32F2O7

>  <MolWeight> (587)
494.5248864

>  <Item Name> (587)
Fluocinonide (Vanos)

>  <Catalog Number> (587)
S2608

>  <Synonyms> (587)
Fluonex, Lidex, Lidex-E, Lonide, Lyderm 

>  <Target> (587)
Glucocorticoid Receptor

>  <Form> (587)
Free Base

>  <URL> (587)
http://www.selleckchem.com/products/Fluocinonide(Vanos).html

>  <CAS Number> (587)
356-12-7

$$$$
Curcumin.cdx
csChFnd80/01151910432D

 27 28  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
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   19.4158    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
  7  8  1  0  0  0  0
  2  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
 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 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 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 17  1  0  0  0  0
 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> (588)
588

>  <Formula> (588)
C21H20O6

>  <MolWeight> (588)
368.3799

>  <Item Name> (588)
Curcumin

>  <Catalog Number> (588)
S1848

>  <Synonyms> (588)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (588)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (588)
Free Base

>  <URL> (588)
http://www.selleckchem.com/products/Curcumin.html

>  <CAS Number> (588)
458-37-7

$$$$
LY2603618.cdx
csChFnd80/01151910432D

 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
    1.2082    2.0951    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 Br  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
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  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
  5 17  1  0  0  0  0
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 18 21  2  0  0  0  0
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 26 20  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (589)
589

>  <Formula> (589)
C18H22BrN5O3

>  <MolWeight> (589)
436.30298

>  <Item Name> (589)
LY2603618 (IC-83)

>  <Catalog Number> (589)
S2626

>  <Synonyms> (589)
N/A 

>  <Target> (589)
Chk

>  <Form> (589)
Free Base

>  <URL> (589)
http://www.selleckchem.com/products/LY2603618-IC-83.html

>  <CAS Number> (589)
911222-45-2

$$$$
Prednisolone acetate.cdx
csChFnd80/01151910432D

 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
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    4.8455    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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  5 22  1  1  0  0  0
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 10 26  1  6  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> (590)
590

>  <Formula> (590)
C23H30O6

>  <MolWeight> (590)
402.4807

>  <Item Name> (590)
Prednisolone acetate (Omnipred)

>  <Catalog Number> (590)
S2570

>  <Synonyms> (590)
Omnipred

>  <Target> (590)
Glucocorticoid Receptor

>  <Form> (590)
Free Base

>  <URL> (590)
http://www.selleckchem.com/products/Prednisolone-acetate-Omnipred.html

>  <CAS Number> (590)
52-21-1

$$$$
Dimethyl Fumarate.cdx
csChFnd80/01151910432D

 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
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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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    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
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  4  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
M  END
>  <Mol_ID> (591)
591

>  <Formula> (591)
C6H8O4

>  <MolWeight> (591)
144.12532

>  <Item Name> (591)
Dimethyl Fumarate

>  <Catalog Number> (591)
S2586 

>  <Synonyms> (591)
N/A

>  <Target> (591)
Others

>  <Form> (591)
Free Base

>  <URL> (591)
http://www.selleckchem.com/products/dimethyl-Fumarate.html

>  <CAS Number> (591)
624-49-7

$$$$
Clinofbrate.cdx
csChFnd80/01151910432D

 34 36  0  0  0  0  0  0  0  0999 V2000
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    6.9425    5.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (592)
592

>  <Formula> (592)
C28H36O6

>  <MolWeight> (592)
468.58184

>  <Item Name> (592)
Clinofibrate

>  <Catalog Number> (592)
S2664

>  <Synonyms> (592)
Lipoclin

>  <Target> (592)
RAAS

>  <Form> (592)
Free Base

>  <URL> (592)
http://www.selleckchem.com/products/clinofibrate.html

>  <CAS Number> (592)
30299-08-2

$$$$
GSK1120212.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (593)
593

>  <Formula> (593)
C26H23FIN5O4

>  <MolWeight> (593)
615.3947932

>  <Item Name> (593)
GSK1120212 (Trametinib)

>  <Catalog Number> (593)
S2673

>  <Synonyms> (593)
GSK212 

>  <Target> (593)
MEK 

>  <Form> (593)
Free Base

>  <URL> (593)
http://www.selleckchem.com/products/gsk1120212-(jtp-74057).html

>  <CAS Number> (593)
871700-17-3

$$$$
SNX5422.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (594)
594

>  <Formula> (594)
C25H30F3N5O4

>  <MolWeight> (594)
521.5320096

>  <Item Name> (594)
PF-04929113 (SNX-5422)

>  <Catalog Number> (594)
S2656

>  <Synonyms> (594)
N/A 

>  <Target> (594)
HSP

>  <Form> (594)
Free Base

>  <URL> (594)
http://www.selleckchem.com/products/pf-04929113.html

>  <CAS Number> (594)
908115-27-5

$$$$
ADL5859.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (595)
595

>  <Formula> (595)
C24H29ClN2O3

>  <MolWeight> (595)
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>  <Item Name> (595)
ADL5859 HCl

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S1139

>  <Synonyms> (595)
N/A 

>  <Target> (595)
Opioid Receptor

>  <Form> (595)
Hydrochloride

>  <URL> (595)
http://www.selleckchem.com/products/ADL-5859.html

>  <CAS Number> (595)
850173-95-4

$$$$
Ciprofibrate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (596)
596

>  <Formula> (596)
C13H14Cl2O3

>  <MolWeight> (596)
289.15446

>  <Item Name> (596)
Ciprofibrate

>  <Catalog Number> (596)
S2665

>  <Synonyms> (596)
N/A

>  <Target> (596)
PPAR

>  <Form> (596)
Free Base

>  <URL> (596)
http://www.selleckchem.com/products/ciprofibrate.html

>  <CAS Number> (596)
52214-84-3

$$$$
Amoxicillin sodium.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (597)
597

>  <Formula> (597)
C16H18N3NaO5S

>  <MolWeight> (597)
387.38599

>  <Item Name> (597)
Amoxicillin sodium (Amox)

>  <Catalog Number> (597)
S2565

>  <Synonyms> (597)
Amoxycillin 

>  <Target> (597)
Antifection

>  <Form> (597)
Sodium Salt

>  <URL> (597)
http://www.selleckchem.com/products/amoxicillin-(amox).html

>  <CAS Number> (597)
34642-77-8

$$$$
KX2-391.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (598)
598

>  <Formula> (598)
C26H29N3O3

>  <MolWeight> (598)
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>  <Item Name> (598)
KX2-391

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S2700

>  <Synonyms> (598)
N/A

>  <Target> (598)
Src

>  <Form> (598)
Free Base

>  <URL> (598)
http://www.selleckchem.com/products/kx2-391.html

>  <CAS Number> (598)
897016-82-9

$$$$
GSK1070916.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (599)
599

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>  <Synonyms> (599)
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>  <Target> (599)
Aurora Kinase

>  <Form> (599)
Free Base

>  <URL> (599)
http://www.selleckchem.com/products/gsk1070916.html

>  <CAS Number> (599)
942918-07-2

$$$$
JTC801.cdx
csChFnd80/01151910432D

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Opioid Receptor

>  <Form> (600)
Hydrochloride

>  <URL> (600)
http://www.selleckchem.com/products/jtc-801.html

>  <CAS Number> (600)
244218-51-7

$$$$
TG101348.cdx
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601

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Fedratinib (SAR302503, TG101348)

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S2736

>  <Synonyms> (601)
N/A

>  <Target> (601)
JAK 

>  <Form> (601)
Free Base

>  <URL> (601)
http://www.selleckchem.com/products/tg-101348.html

>  <CAS Number> (601)
936091-26-8

$$$$
GDC 0980.cdx
csChFnd80/01151910432D

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602

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C23H30N8O3S

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>  <Item Name> (602)
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S2696 

>  <Synonyms> (602)
N/A 

>  <Target> (602)
mTOR, PI3K

>  <Form> (602)
Free Base

>  <URL> (602)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

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1032754-93-0

$$$$
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csChFnd80/01151910432D

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>  <Mol_ID> (603)
603

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Nepicastat hydrochloride

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>  <Target> (603)
Hydroxylase

>  <Form> (603)
Hydrochloride

>  <URL> (603)
http://www.selleckchem.com/products/nepicastat-hydrochloride.html

>  <CAS Number> (603)
170151-24-3

$$$$
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csChFnd80/01151910432D

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   12.5289    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9496    4.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  4  1  0  0  0  0
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 18  1  1  0  0  0  0
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 21 26  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (604)
604

>  <Formula> (604)
C20H23BrN2O4

>  <MolWeight> (604)
435.31162

>  <Item Name> (604)
Brompheniramine hydrogen maleate

>  <Catalog Number> (604)
S2585

>  <Synonyms> (604)
N/A

>  <Target> (604)
Histamine Receptor

>  <Form> (604)
Maleate

>  <URL> (604)
http://www.selleckchem.com/products/brompheniramine.html

>  <CAS Number> (604)
980-71-2

$$$$
CARVEDILOL (carvedilol).cdx
csChFnd80/01151910432D

 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
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    8.2982    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3393    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  6  1  1  0  0  0  0
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  9  1  1  0  0  0  0
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 13  8  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  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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 23 24  2  0  0  0  0
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 28 23  1  0  0  0  0
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 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (605)
605

>  <Formula> (605)
C24H26N2O4

>  <MolWeight> (605)
406.47424

>  <Item Name> (605)
Carvedilol

>  <Catalog Number> (605)
S1831

>  <Synonyms> (605)
Coreg, Dilatrend

>  <Target> (605)
Adrenergic Receptor

>  <Form> (605)
Free Base

>  <URL> (605)
http://www.selleckchem.com/products/carvedilol.html

>  <CAS Number> (605)
72956-09-3

$$$$
Phenylephrine hydrochloride.cdx
csChFnd80/01151910432D

 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
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  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
  8 12  1  1  0  0  0
  8 13  1  6  0  0  0
M  END
>  <Mol_ID> (606)
606

>  <Formula> (606)
C9H14ClNO2

>  <MolWeight> (606)
203.66596

>  <Item Name> (606)
Phenylephrine hydrochloride

>  <Catalog Number> (606)
S2569

>  <Synonyms> (606)
N/A

>  <Target> (606)
Adrenergic Receptor

>  <Form> (606)
Hydrochloride

>  <URL> (606)
http://www.selleckchem.com/products/Phenylephrine-hydrochloride.html

>  <CAS Number> (606)
61-76-7

$$$$

csChFnd80/01151910432D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.1306    3.5252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    4.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    3.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (607)
607

>  <Formula> (607)
C16H25ClN2O

>  <MolWeight> (607)
296.8355

>  <Item Name> (607)
Ropinirole HCl

>  <Catalog Number> (607)
S3189

>  <Synonyms> (607)
N/A 

>  <Target> (607)
Dopamine Receptor

>  <Form> (607)
HCl

>  <URL> (607)
http://www.selleckchem.com/products/ropinirole-hydrochloride.html

>  <CAS Number> (607)
91374-20-8

$$$$
(+,-)-Octopamine hydrochloride.cdx
csChFnd80/01151910432D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.3703    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.3703    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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  3  4  2  0  0  0  0
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  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (608)
608

>  <Formula> (608)
C8H12ClNO2

>  <MolWeight> (608)
189.63938

>  <Item Name> (608)
(+,-)-Octopamine HCl

>  <Catalog Number> (608)
S3188

>  <Synonyms> (608)
N/A 

>  <Target> (608)
Dopamine Receptor

>  <Form> (608)
HCl

>  <URL> (608)
http://www.selleckchem.com/products/octopamine-hcl.html

>  <CAS Number> (608)
770-05-8

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/01151910432D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    8.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    6.5455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.7406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (609)
609

>  <Formula> (609)
C21H21Cl2NO5

>  <MolWeight> (609)
438.30114

>  <Item Name> (609)
Flavopiridol (Alvocidib) HCl

>  <Catalog Number> (609)
S2679

>  <Synonyms> (609)
N/A

>  <Target> (609)
CDK

>  <Form> (609)
Hydrochloride

>  <URL> (609)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

>  <CAS Number> (609)
131740-09-5

$$$$
PH797804.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (610)
610

>  <Formula> (610)
C22H19BrF2N2O3

>  <MolWeight> (610)
477.2986664

>  <Item Name> (610)
PH-797804

>  <Catalog Number> (610)
S2726

>  <Synonyms> (610)
N/A

>  <Target> (610)
p38 MAPK

>  <Form> (610)
Free Base

>  <URL> (610)
http://www.selleckchem.com/products/ph-797804.html

>  <CAS Number> (610)
586379-66-0

$$$$
PF299804.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (611)
611

>  <Formula> (611)
C24H25ClFN5O2

>  <MolWeight> (611)
469.9390032

>  <Item Name> (611)
Dacomitinib (PF299804, PF-00299804)

>  <Catalog Number> (611)
S2727

>  <Synonyms> (611)
N/A

>  <Target> (611)
EGFR

>  <Form> (611)
Free Base

>  <URL> (611)
http://www.selleckchem.com/products/pf299804.html

>  <CAS Number> (611)
1110813-31-4

$$$$
INK 128.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (612)
612

>  <Formula> (612)
C15H15N7O

>  <MolWeight> (612)
309.3259

>  <Item Name> (612)
INK 128 (MLN0128)

>  <Catalog Number> (612)
S2811 

>  <Synonyms> (612)
N/A 

>  <Target> (612)
mTOR 

>  <Form> (612)
Free Base

>  <URL> (612)
http://www.selleckchem.com/products/ink128.html

>  <CAS Number> (612)
1224844-38-5

$$$$
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M  END
>  <Mol_ID> (613)
613

>  <Formula> (613)
C25H28N8O2

>  <MolWeight> (613)
472.54222

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Linagliptin (BI-1356)

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S3031 

>  <Synonyms> (613)
N/A 

>  <Target> (613)
DPP-4

>  <Form> (613)
Free Base

>  <URL> (613)
http://www.selleckchem.com/products/linagliptin-bi-1356.html

>  <CAS Number> (613)
668270-12-0

$$$$
SCH727965.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (614)
614

>  <Formula> (614)
C21H28N6O2

>  <MolWeight> (614)
396.48602

>  <Item Name> (614)
Dinaciclib (SCH727965)

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S2768

>  <Synonyms> (614)
N/A 

>  <Target> (614)
CDK

>  <Form> (614)
Free Base

>  <URL> (614)
http://www.selleckchem.com/products/dinaciclib-sch727965.html

>  <CAS Number> (614)
779353-01-4

$$$$
CP868569.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (615)
615

>  <Formula> (615)
C26H29N5O2

>  <MolWeight> (615)
443.54076

>  <Item Name> (615)
Crenolanib (CP-868596)

>  <Catalog Number> (615)
S2730 

>  <Synonyms> (615)
N/A 

>  <Target> (615)
PDGFR

>  <Form> (615)
Free Base

>  <URL> (615)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

>  <CAS Number> (615)
670220-88-9

$$$$
Erdosteine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (616)
616

>  <Formula> (616)
C8H11NO4S2

>  <MolWeight> (616)
249.30724

>  <Item Name> (616)
Erdosteine

>  <Catalog Number> (616)
S1825

>  <Synonyms> (616)
N/A

>  <Target> (616)
Others

>  <Form> (616)
Free Base

>  <URL> (616)
http://www.selleckchem.com/products/erdosteine.html

>  <CAS Number> (616)
84611-23-4 

$$$$
BENICAR (olmesartan medoxomil).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (617)
617

>  <Formula> (617)
C29H30N6O6

>  <MolWeight> (617)
558.5851

>  <Item Name> (617)
Olmesartan medoxomil (Benicar)

>  <Catalog Number> (617)
S1604

>  <Synonyms> (617)
Olmetec 

>  <Target> (617)
RAAS

>  <Form> (617)
Free Base

>  <URL> (617)
http://www.selleckchem.com/products/olmesartan-medoxomil-Benicar.html

>  <CAS Number> (617)
144689-63-4

$$$$
PF-04691502.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (618)
618

>  <Formula> (618)
C22H27N5O4

>  <MolWeight> (618)
425.48088

>  <Item Name> (618)
PF-04691502

>  <Catalog Number> (618)
S2743

>  <Synonyms> (618)
N/A

>  <Target> (618)
mTOR, PI3K, Akt

>  <Form> (618)
Free Base

>  <URL> (618)
http://www.selleckchem.com/products/pf-04691502.html

>  <CAS Number> (618)
1013101-36-4 

$$$$
Adenine hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (619)
619

>  <Formula> (619)
C5H6ClN5

>  <MolWeight> (619)
171.58764

>  <Item Name> (619)
Adenine hydrochloride

>  <Catalog Number> (619)
S1983

>  <Synonyms> (619)
N/A

>  <Target> (619)
DNA/RNA Synthesis

>  <Form> (619)
Hydrochloride

>  <URL> (619)
http://www.selleckchem.com/products/adenine-hydrochloride.html

>  <CAS Number> (619)
2922-28-3 

$$$$
Benidipine hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (620)
620

>  <Formula> (620)
C28H32ClN3O6

>  <MolWeight> (620)
542.02318

>  <Item Name> (620)
Benidipine hydrochloride

>  <Catalog Number> (620)
S2017

>  <Synonyms> (620)
N/A

>  <Target> (620)
calcium channel

>  <Form> (620)
Hydrochloride

>  <URL> (620)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

>  <CAS Number> (620)
91599-74-5

$$$$
Clorsulon.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (621)
621

>  <Formula> (621)
C8H8Cl3N3O4S2

>  <MolWeight> (621)
380.65582

>  <Item Name> (621)
Clorsulon

>  <Catalog Number> (621)
S2613 

>  <Synonyms> (621)
N/A

>  <Target> (621)
Antifection

>  <Form> (621)
Free Base

>  <URL> (621)
http://www.selleckchem.com/products/clorsulon.html

>  <CAS Number> (621)
60200-06-8

$$$$
Fluticasone propionate.cdx
csChFnd80/01151910432D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (622)
622

>  <Formula> (622)
C25H31F3O5S

>  <MolWeight> (622)
500.5708496

>  <Item Name> (622)
Fluticasone propionate (Flonase, Veramyst)

>  <Catalog Number> (622)
S1992

>  <Synonyms> (622)
N/A 

>  <Target> (622)
Glucocorticoid Receptor

>  <Form> (622)
Free Base

>  <URL> (622)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

>  <CAS Number> (622)
80474-14-2

$$$$
Formoterol fumarate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (623)
623

>  <Formula> (623)
C42H52N4O12

>  <MolWeight> (623)
804.88188

>  <Item Name> (623)
Formoterol hemifumarate

>  <Catalog Number> (623)
S2020

>  <Synonyms> (623)
N/A

>  <Target> (623)
Adrenergic Receptor

>  <Form> (623)
Hemifumarate

>  <URL> (623)
http://www.selleckchem.com/products/formoterol-hemifumarate.html

>  <CAS Number> (623)
43229-80-7

$$$$
Ketotifen fumarate.cdx
csChFnd80/01151910432D

 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> (624)
624

>  <Formula> (624)
C23H23NO5S

>  <MolWeight> (624)
425.49742

>  <Item Name> (624)
Ketotifen fumarate (Zaditor)

>  <Catalog Number> (624)
S2024

>  <Synonyms> (624)
N/A 

>  <Target> (624)
Histamine Receptor

>  <Form> (624)
Fumarate 

>  <URL> (624)
http://www.selleckchem.com/products/ketotifen-fumarate-zaditor.html

>  <CAS Number> (624)
34580-14-8

$$$$
Lacidipine.cdx
csChFnd80/01151910432D

 33 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (625)
625

>  <Formula> (625)
C26H33NO6

>  <MolWeight> (625)
455.54332

>  <Item Name> (625)
Lacidipine (Lacipil, Motens)

>  <Catalog Number> (625)
S1994

>  <Synonyms> (625)
Lacipil, Motens

>  <Target> (625)
Calcium Channel 

>  <Form> (625)
Free Base

>  <URL> (625)
http://www.selleckchem.com/products/lacidipine-lacipil-motens.html

>  <CAS Number> (625)
103890-78-4

$$$$
MIRTAZAPINE (mirtazapine).cdx
csChFnd80/01151910432D

 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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 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (626)
626

>  <Formula> (626)
C17H19N3

>  <MolWeight> (626)
265.35286

>  <Item Name> (626)
Mirtazapine (Remeron, Avanza)

>  <Catalog Number> (626)
S2016

>  <Synonyms> (626)
N/A 

>  <Target> (626)
5-HT Receptor

>  <Form> (626)
Free Base

>  <URL> (626)
http://www.selleckchem.com/products/mirtazapine-remeron-avanza.html

>  <CAS Number> (626)
85650-52-8 

$$$$
Mometasone furoate.cdx
csChFnd80/01151910432D

 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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 37 33  1  0  0  0  0
M  END
>  <Mol_ID> (627)
627

>  <Formula> (627)
C27H30Cl2O6

>  <MolWeight> (627)
521.4295

>  <Item Name> (627)
Mometasone furoate

>  <Catalog Number> (627)
S1987

>  <Synonyms> (627)
N/A

>  <Target> (627)
Glucocorticoid Receptor

>  <Form> (627)
Furoate

>  <URL> (627)
http://www.selleckchem.com/products/mometasone-furoate.html

>  <CAS Number> (627)
83919-23-7

$$$$
Pidotimod.cdx
csChFnd80/01151910432D

 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
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    8.2487    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6030    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6130    4.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9553    3.9846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6081    1.6834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4617    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3923    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (628)
628

>  <Formula> (628)
C9H12N2O4S

>  <MolWeight> (628)
244.26758

>  <Item Name> (628)
Pidotimod

>  <Catalog Number> (628)
S3106

>  <Synonyms> (628)
N/A 

>  <Target> (628)
Others

>  <Form> (628)
Free Base

>  <URL> (628)
http://www.selleckchem.com/products/pidotimod.html

>  <CAS Number> (628)
121808-62-6

$$$$
Pyridoxine hydrochloride.cdx
csChFnd80/01151910432D

 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
    4.2000    1.6461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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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M  END
>  <Mol_ID> (629)
629

>  <Formula> (629)
C8H12ClNO3

>  <MolWeight> (629)
205.63878

>  <Item Name> (629)
Pyridoxine hydrochloride

>  <Catalog Number> (629)
S3113

>  <Synonyms> (629)
N/A 

>  <Target> (629)
Vitamin

>  <Form> (629)
Hydrochloride

>  <URL> (629)
http://www.selleckchem.com/products/pyridoxine-hydrochloride.html

>  <CAS Number> (629)
58-56-0

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/01151910432D

 20 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (630)
630

>  <Formula> (630)
C15H25ClN2O2

>  <MolWeight> (630)
300.8242

>  <Item Name> (630)
Tetracaine hydrochloride (Pontocaine)

>  <Catalog Number> (630)
S2573 

>  <Synonyms> (630)
N/A 

>  <Target> (630)
Calcium Channel

>  <Form> (630)
Hydrochloride 

>  <URL> (630)
http://www.selleckchem.com/products/tetracaine-hydrochloride-pontocaine.html

>  <CAS Number> (630)
136-47-0

$$$$
Urapidil hydrochloride.cdx
csChFnd80/01151910432D

 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
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    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
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    8.4702    3.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    4.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (631)
631

>  <Formula> (631)
C20H30ClN5O3

>  <MolWeight> (631)
423.9369

>  <Item Name> (631)
Urapidil hydrochloride

>  <Catalog Number> (631)
S2025

>  <Synonyms> (631)
N/A

>  <Target> (631)
5-HT Receptor

>  <Form> (631)
Hydrochloride

>  <URL> (631)
http://www.selleckchem.com/products/urapidil-hydrochloride.html

>  <CAS Number> (631)
64887-14-5

$$$$
Albendazole oxide.cdx
csChFnd80/01151910432D

 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> (632)
632

>  <Formula> (632)
C12H15N3O3S

>  <MolWeight> (632)
281.3308

>  <Item Name> (632)
Albendazole Oxide (Ricobendazole)

>  <Catalog Number> (632)
S1836

>  <Synonyms> (632)
N/A 

>  <Target> (632)
Microtubule Associated

>  <Form> (632)
Free Base

>  <URL> (632)
http://www.selleckchem.com/products/albendazole-oxide-ricobendazole.html

>  <CAS Number> (632)
54029-12-8

$$$$
Alibendol.cdx
csChFnd80/01151910432D

 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> (633)
633

>  <Formula> (633)
C13H17NO4

>  <MolWeight> (633)
251.27838

>  <Item Name> (633)
Alibendol

>  <Catalog Number> (633)
S1928

>  <Synonyms> (633)
N/A

>  <Target> (633)
Others

>  <Form> (633)
Free Base

>  <URL> (633)
http://www.selleckchem.com/products/alibendol.html

>  <CAS Number> (633)
26750-81-2

$$$$
Aspartame.cdx
csChFnd80/01151910432D

 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> (634)
634

>  <Formula> (634)
C14H18N2O5

>  <MolWeight> (634)
294.30312

>  <Item Name> (634)
Aspartame

>  <Catalog Number> (634)
S2036

>  <Synonyms> (634)
Nutrasweet

>  <Target> (634)
Others

>  <Form> (634)
Free Base

>  <URL> (634)
http://www.selleckchem.com/products/aspartame.html

>  <CAS Number> (634)
22839-47-0

$$$$
Bifonazole.cdx
csChFnd80/01151910432D

 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> (635)
635

>  <Formula> (635)
C22H18N2

>  <MolWeight> (635)
310.39172

>  <Item Name> (635)
Bifonazole

>  <Catalog Number> (635)
S1854

>  <Synonyms> (635)
N/A

>  <Target> (635)
Antifection

>  <Form> (635)
Free Base

>  <URL> (635)
http://www.selleckchem.com/products/bifonazole.html

>  <CAS Number> (635)
60628-96-8

$$$$
Butoconazole nitrate.cdx
csChFnd80/01151910432D

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9707    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0707    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    7.7707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    3.2873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    5.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    7.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    7.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    9.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    9.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    9.8659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3740    1.2082    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0716    2.4165    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0716    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9788    1.2082    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
  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
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  6 14  1  0  0  0  0
 12 15  1  0  0  0  0
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M  END
>  <Mol_ID> (636)
636

>  <Formula> (636)
C19H18Cl3N3O3S

>  <MolWeight> (636)
474.78852

>  <Item Name> (636)
Butoconazole nitrate

>  <Catalog Number> (636)
S1833

>  <Synonyms> (636)
N/A

>  <Target> (636)
Antifection

>  <Form> (636)
Nitrate

>  <URL> (636)
http://www.selleckchem.com/products/butoconazole-nitrate.html

>  <CAS Number> (636)
64872-77-1

$$$$
Ganciclovir.cdx
csChFnd80/01151910432D

 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
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  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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 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (637)
637

>  <Formula> (637)
C9H13N5O4

>  <MolWeight> (637)
255.23062

>  <Item Name> (637)
Ganciclovir

>  <Catalog Number> (637)
S1878

>  <Synonyms> (637)
Cytovene

>  <Target> (637)
Antifection

>  <Form> (637)
Free Base

>  <URL> (637)
http://www.selleckchem.com/products/ganciclovir.html

>  <CAS Number> (637)
82410-32-0

$$$$
Phentolamine mesilate.cdx
csChFnd80/01151910432D

 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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    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
  3 11  2  0  0  0  0
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 15  3  1  0  0  0  0
  7 16  1  0  0  0  0
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  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> (638)
638

>  <Formula> (638)
C18H23N3O4S

>  <MolWeight> (638)
377.45792

>  <Item Name> (638)
Phentolamine Mesylate 

>  <Catalog Number> (638)
S2038

>  <Synonyms> (638)
Regitine

>  <Target> (638)
adrenergic receptor

>  <Form> (638)
Mesylate 

>  <URL> (638)
http://www.selleckchem.com/products/phentolamine-mesilate.html

>  <CAS Number> (638)
65-28-1

$$$$
Sulphadimethoxine.cdx
csChFnd80/01151910432D

 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
    7.2662    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.5431    3.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6911    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    1.3951    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
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  4  7  2  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
 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
M  END
>  <Mol_ID> (639)
639

>  <Formula> (639)
C12H14N4O4S

>  <MolWeight> (639)
310.32896

>  <Item Name> (639)
Sulphadimethoxine

>  <Catalog Number> (639)
S1962

>  <Synonyms> (639)
Di-Methox, Albon

>  <Target> (639)
Antifection

>  <Form> (639)
Free Base

>  <URL> (639)
http://www.selleckchem.com/products/sulphadimethoxine.html

>  <CAS Number> (639)
122-11-2

$$$$
Uridine.cdx
csChFnd80/01151910432D

 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
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    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
    4.2769    1.5656    0.0000 C   0  0  1  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
    0.0000    1.5041    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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  6  1  2  0  0  0  0
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  3  8  2  0  0  0  0
  9  2  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
 14 15  1  0  0  0  0
 12 16  1  6  0  0  0
 13 17  1  6  0  0  0
M  END
>  <Mol_ID> (640)
640

>  <Formula> (640)
C9H12N2O6

>  <MolWeight> (640)
244.20138

>  <Item Name> (640)
Uridine

>  <Catalog Number> (640)
S2029

>  <Synonyms> (640)
N/A

>  <Target> (640)
DNA/RNA Synthesis

>  <Form> (640)
Free Base

>  <URL> (640)
http://www.selleckchem.com/products/uridine.html

>  <CAS Number> (640)
58-96-8

$$$$
ENALAPRILAT (enalaprilat).cdx
csChFnd80/01151910432D

 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
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   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
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   18.4666    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
  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
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 17 19  1  0  0  0  0
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 22 17  1  0  0  0  0
 14 13  1  0  0  0  0
 19 23  1  1  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (641)
641

>  <Formula> (641)
C18H28N2O7

>  <MolWeight> (641)
384.42412

>  <Item Name> (641)
Enalaprilat dihydrate

>  <Catalog Number> (641)
S1657

>  <Synonyms> (641)
N/A

>  <Target> (641)
RAAS

>  <Form> (641)
Dihydrate

>  <URL> (641)
http://www.selleckchem.com/products/Enalaprilat.html

>  <CAS Number> (641)
84680-54-6 

$$$$
Cefoperazone acid.cdx
csChFnd80/01151910432D

 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
    5.8404   10.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    9.6324    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653   10.3324    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2653   11.7324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529   12.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6653   10.3324    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (642)
642

>  <Formula> (642)
C25H27N9O8S2

>  <MolWeight> (642)
645.66738

>  <Item Name> (642)
Cefoperazone (Cefobid)

>  <Catalog Number> (642)
S1611

>  <Synonyms> (642)
N/A 

>  <Target> (642)
Antifection

>  <Form> (642)
Free Base

>  <URL> (642)
http://www.selleckchem.com/products/cefoperazone-cefobid.html

>  <CAS Number> (642)
62893-19-0

$$$$
Acemetacin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (643)
643

>  <Formula> (643)
C21H18ClNO6

>  <MolWeight> (643)
415.82372

>  <Item Name> (643)
Acemetacin (Emflex)

>  <Catalog Number> (643)
S2602

>  <Synonyms> (643)
N/A 

>  <Target> (643)
COX

>  <Form> (643)
Free Base

>  <URL> (643)
http://www.selleckchem.com/products/acemetacin-emflex.html

>  <CAS Number> (643)
53164-05-9

$$$$
NATACYN (natamycin).cdx
csChFnd80/01151910432D

 50 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (644)
644

>  <Formula> (644)
C33H47NO13

>  <MolWeight> (644)
665.72518

>  <Item Name> (644)
Natamycin

>  <Catalog Number> (644)
S1517

>  <Synonyms> (644)
Pimaricin

>  <Target> (644)
Antifection

>  <Form> (644)
Free Base

>  <URL> (644)
http://www.selleckchem.com/products/Natamycin(Pimaricin).htm

>  <CAS Number> (644)
7681-93-8

$$$$
Nystatin (Fungicidin).cdx
csChFnd80/01151910432D

 67 69  0  0  0  0  0  0  0  0999 V2000
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   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
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M  END
>  <Mol_ID> (645)
645

>  <Formula> (645)
C47H75NO17

>  <MolWeight> (645)
926.0949

>  <Item Name> (645)
Nystatin (Fungicidin)

>  <Catalog Number> (645)
S1934

>  <Synonyms> (645)
N/A

>  <Target> (645)
Others

>  <Form> (645)
Free Base

>  <URL> (645)
http://www.selleckchem.com/products/Nystatin(Mycostatin).htm

>  <CAS Number> (645)
1400-61-9

$$$$
Buflomedil hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (646)
646

>  <Formula> (646)
C17H26ClNO4

>  <MolWeight> (646)
343.84564

>  <Item Name> (646)
Buflomedil HCl

>  <Catalog Number> (646)
S2607

>  <Synonyms> (646)
N/A

>  <Target> (646)
Adrenergic Receptor

>  <Form> (646)
Hydrochloride

>  <URL> (646)
http://www.selleckchem.com/products/auflomedil-hcl.html

>  <CAS Number> (646)
35543-24-9

$$$$
Clobetasol propionate.cdx
csChFnd80/01151910432D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (647)
647

>  <Formula> (647)
C25H32ClFO5

>  <MolWeight> (647)
466.9699832

>  <Item Name> (647)
Clobetasol propionate

>  <Catalog Number> (647)
S2584

>  <Synonyms> (647)
N/A

>  <Target> (647)
Glucocorticoid Receptor

>  <Form> (647)
Free Base

>  <URL> (647)
http://www.selleckchem.com/products/clobetasol-propionate.html

>  <CAS Number> (647)
25122-46-7

$$$$
Lonidamine.cdx
csChFnd80/01151910432D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (648)
648

>  <Formula> (648)
C15H10Cl2N2O2

>  <MolWeight> (648)
321.1581

>  <Item Name> (648)
Lonidamine

>  <Catalog Number> (648)
S2610

>  <Synonyms> (648)
N/A

>  <Target> (648)
Others

>  <Form> (648)
Free Base

>  <URL> (648)
http://www.selleckchem.com/products/lonidamine.html

>  <CAS Number> (648)
50264-69-2

$$$$
L-Thyroxine.cdx
csChFnd80/01151910432D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (649)
649

>  <Formula> (649)
C15H11I4NO4

>  <MolWeight> (649)
776.87002

>  <Item Name> (649)
L-Thyroxine

>  <Catalog Number> (649)
S2599

>  <Synonyms> (649)
N/A

>  <Target> (649)
Others

>  <Form> (649)
Free Base

>  <URL> (649)
http://www.selleckchem.com/products/l-thyroxine.html

>  <CAS Number> (649)
51-48-9

$$$$
Miglitol.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (650)
650

>  <Formula> (650)
C8H17NO5

>  <MolWeight> (650)
207.22428

>  <Item Name> (650)
Miglitol (Glyset)

>  <Catalog Number> (650)
S2589

>  <Synonyms> (650)
N/A 

>  <Target> (650)
Others

>  <Form> (650)
Free Base

>  <URL> (650)
http://www.selleckchem.com/products/miglitol-glyset.html

>  <CAS Number> (650)
72432-03-2

$$$$
Phenacetin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (651)
651

>  <Formula> (651)
C10H13NO2

>  <MolWeight> (651)
179.21572

>  <Item Name> (651)
Phenacetin

>  <Catalog Number> (651)
S2577

>  <Synonyms> (651)
N/A

>  <Target> (651)
COX

>  <Form> (651)
Free Base

>  <URL> (651)
http://www.selleckchem.com/products/phenacetin.html

>  <CAS Number> (651)
62-44-2

$$$$
Pioglitazone.cdx
csChFnd80/01151910432D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (652)
652

>  <Formula> (652)
C19H20N2O3S

>  <MolWeight> (652)
356.4387

>  <Item Name> (652)
Pioglitazone (Actos)

>  <Catalog Number> (652)
S2590

>  <Synonyms> (652)
N/A 

>  <Target> (652)
PPAR

>  <Form> (652)
Free Base

>  <URL> (652)
http://www.selleckchem.com/products/pioglitazone-actos.html

>  <CAS Number> (652)
111025-46-8

$$$$
Tetracycline hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (653)
653

>  <Formula> (653)
C22H25ClN2O8

>  <MolWeight> (653)
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>  <Item Name> (653)
Tetracycline hydrochloride

>  <Catalog Number> (653)
S2574 

>  <Synonyms> (653)
N/A

>  <Target> (653)
Antifection

>  <Form> (653)
Hydrochloride

>  <URL> (653)
http://www.selleckchem.com/products/tetracycline-hydrochloride.html

>  <CAS Number> (653)
64-75-5

$$$$
Thiamphenicol.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (654)
654

>  <Formula> (654)
C12H15Cl2NO5S

>  <MolWeight> (654)
356.2222

>  <Item Name> (654)
Thiamphenicol (Thiophenicol)

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S2583

>  <Synonyms> (654)
N/A 

>  <Target> (654)
Antifection

>  <Form> (654)
Free Base

>  <URL> (654)
http://www.selleckchem.com/products/thiamphenicol-thiophenicol.html

>  <CAS Number> (654)
15318-45-3

$$$$
Tolfenamic acid.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (655)
655

>  <Formula> (655)
C14H12ClNO2

>  <MolWeight> (655)
261.70358

>  <Item Name> (655)
Tolfenamic acid

>  <Catalog Number> (655)
S1959

>  <Synonyms> (655)
N/A

>  <Target> (655)
COX

>  <Form> (655)
Free Base

>  <URL> (655)
http://www.selleckchem.com/products/tolfenamic-acid.html

>  <CAS Number> (655)
13710-19-5

$$$$
Tolvaptan.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (656)
656

>  <Formula> (656)
C26H25ClN2O3

>  <MolWeight> (656)
448.9413

>  <Item Name> (656)
Tolvaptan (OPC-41061)

>  <Catalog Number> (656)
S2593

>  <Synonyms> (656)
Samsca 

>  <Target> (656)
Estrogen/progestogen Receptor

>  <Form> (656)
Free Base

>  <URL> (656)
http://www.selleckchem.com/products/tolvaptan-opc-41061.html

>  <CAS Number> (656)
150683-30-0

$$$$
Zidovudine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (657)
657

>  <Formula> (657)
C10H13N5O4

>  <MolWeight> (657)
267.24132

>  <Item Name> (657)
Zidovudine (Retrovir)

>  <Catalog Number> (657)
S2579

>  <Synonyms> (657)
azidothymidine

>  <Target> (657)
Reverse Transcriptase

>  <Form> (657)
Free Base

>  <URL> (657)
http://www.selleckchem.com/products/zidovudine-retrovir.html

>  <CAS Number> (657)
30516-87-1

$$$$
Gliclazide.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (658)
658

>  <Formula> (658)
C15H21N3O3S

>  <MolWeight> (658)
323.41054

>  <Item Name> (658)
Gliclazide (Diamicron)

>  <Catalog Number> (658)
S2601 

>  <Synonyms> (658)
N/A 

>  <Target> (658)
Potassium Channel

>  <Form> (658)
Free Base

>  <URL> (658)
http://www.selleckchem.com/products/gliclazide-diamicron.html

>  <CAS Number> (658)
21187-98-4

$$$$
Idebenone.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (659)
659

>  <Formula> (659)
C19H30O5

>  <MolWeight> (659)
338.4385

>  <Item Name> (659)
Idebenone

>  <Catalog Number> (659)
S2605 

>  <Synonyms> (659)
N/A

>  <Target> (659)
ROS

>  <Form> (659)
Free Base

>  <URL> (659)
http://www.selleckchem.com/products/idebenone.html

>  <CAS Number> (659)
58186-27-9

$$$$
Paeoniflorin.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (660)
660

>  <Formula> (660)
C23H28O11

>  <MolWeight> (660)
480.46182

>  <Item Name> (660)
Paeoniflorin

>  <Catalog Number> (660)
S2410

>  <Synonyms> (660)
N/A

>  <Target> (660)
Others

>  <Form> (660)
Free Base

>  <URL> (660)
http://www.selleckchem.com/products/paeoniflorin.html

>  <CAS Number> (660)
23180-57-6 

$$$$
Quinapril hydrochloride.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (661)
661

>  <Formula> (661)
C25H31ClN2O5

>  <MolWeight> (661)
474.97704

>  <Item Name> (661)
Quinapril hydrochloride (Accupril)

>  <Catalog Number> (661)
S2581

>  <Synonyms> (661)
N/A 

>  <Target> (661)
RAAS

>  <Form> (661)
Hydrochloride

>  <URL> (661)
http://www.selleckchem.com/products/quinapril-hydrochloride-accupril.html

>  <CAS Number> (661)
82586-55-8

$$$$
Atracurium besylate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (662)
662

>  <Formula> (662)
C65H82N2O18S2

>  <MolWeight> (662)
1243.47918

>  <Item Name> (662)
Atracurium besylate

>  <Catalog Number> (662)
S1832

>  <Synonyms> (662)
N/A

>  <Target> (662)
AChR

>  <Form> (662)
Dibesylate

>  <URL> (662)
http://www.selleckchem.com/products/atracurium-besylate.html

>  <CAS Number> (662)
64228-81-5

$$$$
Captopril.cdx
csChFnd80/01151910432D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (663)
663

>  <Formula> (663)
C9H15NO3S

>  <MolWeight> (663)
217.2853

>  <Item Name> (663)
Captopril (Capoten)

>  <Catalog Number> (663)
S2051

>  <Synonyms> (663)
N/A 

>  <Target> (663)
RAAS

>  <Form> (663)
Free Base

>  <URL> (663)
http://www.selleckchem.com/products/captopril-capoten.html

>  <CAS Number> (663)
62571-86-2

$$$$
Cyproterone acetate.cdx
csChFnd80/01151910432D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (664)
664

>  <Formula> (664)
C24H29ClO4

>  <MolWeight> (664)
416.93766

>  <Item Name> (664)
Cyproterone acetate

>  <Catalog Number> (664)
S2042

>  <Synonyms> (664)
N/A

>  <Target> (664)
Androgen Receptor/P450

>  <Form> (664)
Free Base

>  <URL> (664)
http://www.selleckchem.com/products/cyproterone-acetate.html

>  <CAS Number> (664)
427-51-0

$$$$
Doxifluridine.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (665)
665

>  <Formula> (665)
C9H11FN2O5

>  <MolWeight> (665)
246.1924432

>  <Item Name> (665)
Doxifluridine

>  <Catalog Number> (665)
S2045

>  <Synonyms> (665)
N/A

>  <Target> (665)
Phosphorylase

>  <Form> (665)
Free Base

>  <URL> (665)
http://www.selleckchem.com/products/doxifluridine.html

>  <CAS Number> (665)
3094-09-5

$$$$
Gimeracil.cdx
csChFnd80/01151910432D

  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
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M  END
>  <Mol_ID> (666)
666

>  <Formula> (666)
C5H4ClNO2

>  <MolWeight> (666)
145.54376

>  <Item Name> (666)
Gimeracil

>  <Catalog Number> (666)
S2055

>  <Synonyms> (666)
N/A

>  <Target> (666)
Dehydrogenase

>  <Form> (666)
Free Base

>  <URL> (666)
http://www.selleckchem.com/products/gimeracil.html

>  <CAS Number> (666)
103766-25-2

$$$$
Memantine HCl.cdx
csChFnd80/01151910432D

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  4 11  1  0  0  0  0
 11 10  1  0  0  0  0
  2 12  1  0  0  0  0
  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (667)
667

>  <Formula> (667)
C12H22ClN

>  <MolWeight> (667)
215.76278

>  <Item Name> (667)
Memantine hydrochloride (Namenda)

>  <Catalog Number> (667)
S2043

>  <Synonyms> (667)
N/A 

>  <Target> (667)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (667)
Hydrochloride

>  <URL> (667)
http://www.selleckchem.com/products/memantine-hydrochloride-namenda.html

>  <CAS Number> (667)
41100-52-1

$$$$
Metoprolol tartrate.cdx
csChFnd80/01151910432D

 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
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  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
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 19 20  1  0  0  0  0
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 23 24  1  0  0  0  0
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 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
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 45 47  1  0  0  0  0
 42 48  1  0  0  0  0
M  END
>  <Mol_ID> (668)
668

>  <Formula> (668)
C34H56N2O12

>  <MolWeight> (668)
684.81464

>  <Item Name> (668)
Metoprolol tartrate

>  <Catalog Number> (668)
S1856

>  <Synonyms> (668)
N/A

>  <Target> (668)
Adrenergic Receptor

>  <Form> (668)
Tartrate

>  <URL> (668)
http://www.selleckchem.com/products/metoprolol-tartrate.html

>  <CAS Number> (668)
392-17-7

$$$$
Nimesulide.cdx
csChFnd80/01151910432D

 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
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    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
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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
  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
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 18 19  2  0  0  0  0
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 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> (669)
669

>  <Formula> (669)
C13H12N2O5S

>  <MolWeight> (669)
308.30978

>  <Item Name> (669)
Nimesulide

>  <Catalog Number> (669)
S2040

>  <Synonyms> (669)
N/A

>  <Target> (669)
COX

>  <Form> (669)
Free Base

>  <URL> (669)
http://www.selleckchem.com/products/nimesulide.html

>  <CAS Number> (669)
51803-78-2

$$$$
Noradrenaline bitartrate.cdx
csChFnd80/01151910432D

 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
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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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   12.8206    3.6410    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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  2  8  1  0  0  0  0
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 14 15  1  0  0  0  0
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 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> (670)
670

>  <Formula> (670)
C12H19NO10

>  <MolWeight> (670)
337.27996

>  <Item Name> (670)
Noradrenaline bitartrate monohydrate (Levoph

>  <Catalog Number> (670)
S2615

>  <Synonyms> (670)
N/A 

>  <Target> (670)
Adrenergic Receptor

>  <Form> (670)
bitartrate monohydrate

>  <URL> (670)
http://www.selleckchem.com/products/noradrenaline-bitartrate-monohydrate-levophed.html

>  <CAS Number> (670)
108341-18-0

$$$$
Orphenadrine citrate.cdx
csChFnd80/01151910432D

 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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 24 33  1  0  0  0  0
M  END
>  <Mol_ID> (671)
671

>  <Formula> (671)
C24H31NO8

>  <MolWeight> (671)
461.50484

>  <Item Name> (671)
Orphenadrine citrate (Norflex)

>  <Catalog Number> (671)
S2054

>  <Synonyms> (671)
N/A 

>  <Target> (671)
AChR

>  <Form> (671)
Citrate

>  <URL> (671)
http://www.selleckchem.com/products/orphenadrine-citrate-norflex.html

>  <CAS Number> (671)
4682-36-4

$$$$
Oxytetracycline dihydrate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (672)
672

>  <Formula> (672)
C22H28N2O11

>  <MolWeight> (672)
496.46452

>  <Item Name> (672)
Oxytetracycline dihydrate

>  <Catalog Number> (672)
S2052 

>  <Synonyms> (672)
N/A

>  <Target> (672)
Others

>  <Form> (672)
Dihydrate

>  <URL> (672)
http://www.selleckchem.com/products/oxytetracycline-dihydrate.html

>  <CAS Number> (672)
6153-64-6

$$$$
Pioglitazone hydrochloride.cdx
csChFnd80/01151910432D

 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
    2.4165    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (673)
673

>  <Formula> (673)
C19H21ClN2O3S

>  <MolWeight> (673)
392.89964

>  <Item Name> (673)
Pioglitazone hydrochloride (Actos)

>  <Catalog Number> (673)
S2046

>  <Synonyms> (673)
N/A 

>  <Target> (673)
P450 (e.g. CYP17)

>  <Form> (673)
Hydrochloride

>  <URL> (673)
http://www.selleckchem.com/products/pioglitazone-hydrochloride-actos.html

>  <CAS Number> (673)
112529-15-4

$$$$
Pramiracetam.cdx
csChFnd80/01151910432D

 19 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
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 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (674)
674

>  <Formula> (674)
C14H27N3O2

>  <MolWeight> (674)
269.38308

>  <Item Name> (674)
Pramiracetam

>  <Catalog Number> (674)
S2594

>  <Synonyms> (674)
N/A

>  <Target> (674)
Others

>  <Form> (674)
Free Base

>  <URL> (674)
http://www.selleckchem.com/products/pramiracetam.html

>  <CAS Number> (674)
68497-62-1

$$$$
TZ-3 (tioconazole)cdx.cdx
csChFnd80/01151910432D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    4.6322    2.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (675)
675

>  <Formula> (675)
C16H13Cl3N2OS

>  <MolWeight> (675)
387.71122

>  <Item Name> (675)
Tioconazole

>  <Catalog Number> (675)
S1910

>  <Synonyms> (675)
N/A

>  <Target> (675)
Antifection

>  <Form> (675)
Free Base

>  <URL> (675)
http://www.selleckchem.com/products/tioconazole.html

>  <CAS Number> (675)
65899-73-2

$$$$
Valaciclovir hydrochloride.cdx
csChFnd80/01151910432D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (676)
676

>  <Formula> (676)
C13H21ClN6O4

>  <MolWeight> (676)
360.79664

>  <Item Name> (676)
Valaciclovir HCl

>  <Catalog Number> (676)
S1876

>  <Synonyms> (676)
N/A

>  <Target> (676)
Antifection

>  <Form> (676)
Hydrochloride

>  <URL> (676)
http://www.selleckchem.com/products/valaciclovir-hcl.html

>  <CAS Number> (676)
124832-27-5 

$$$$

csChFnd80/01151910432D

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>  <Mol_ID> (677)
677

>  <Formula> (677)
C58H66O15S2

>  <MolWeight> (677)
1067.26564

>  <Item Name> (677)
TAK-875

>  <Catalog Number> (677)
S2637

>  <Synonyms> (677)
N/A

>  <Target> (677)
GPR 

>  <Form> (677)
Hydrate

>  <URL> (677)
http://www.selleckchem.com/products/tak-875.html

>  <CAS Number> (677)
1374598-80-7

$$$$
Anacetrapib.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (678)
678

>  <Formula> (678)
C30H25F10NO3

>  <MolWeight> (678)
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>  <Item Name> (678)
Anacetrapib (MK-0859)

>  <Catalog Number> (678)
S2748

>  <Synonyms> (678)
N/A 

>  <Target> (678)
CETP

>  <Form> (678)
Free Base

>  <URL> (678)
http://www.selleckchem.com/products/anacetrapib-mk-0859.html

>  <CAS Number> (678)
875446-37-0

$$$$
PHA-848125.cdx
csChFnd80/01151910432D

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   10.6559    7.4458    0.0000 C   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
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 14 15  1  0  0  0  0
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  1  2  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  9  1  0  0  0  0
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 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
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 30 33  1  0  0  0  0
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M  END
>  <Mol_ID> (679)
679

>  <Formula> (679)
C25H32N8O

>  <MolWeight> (679)
460.57458

>  <Item Name> (679)
PHA-848125

>  <Catalog Number> (679)
S2751

>  <Synonyms> (679)
N/A

>  <Target> (679)
CDK

>  <Form> (679)
Free Base

>  <URL> (679)
http://www.selleckchem.com/products/pha-848125.html

>  <CAS Number> (679)
802539-81-7

$$$$
PENETREX (enoxacin).cdx
csChFnd80/01151910432D

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 12  7  1  0  0  0  0
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 16  5  1  0  0  0  0
  1 17  1  0  0  0  0
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M  END
>  <Mol_ID> (680)
680

>  <Formula> (680)
C15H17FN4O3

>  <MolWeight> (680)
320.3188832

>  <Item Name> (680)
Enoxacin (Penetrex)

>  <Catalog Number> (680)
S1756

>  <Synonyms> (680)
Almitil, Bactidan, Bactidron, Comprecin, Enoksetin, Enoxen, Enroxil, Enoxin, Enoxor, Flumark, Gyrami 

>  <Target> (680)
Topoisomerase

>  <Form> (680)
Free Base

>  <URL> (680)
http://www.selleckchem.com/products/Enoxacin(Penetrex).html

>  <CAS Number> (680)
74011-58-8

$$$$
CAPITAL SOLEIL 15 (avobenzone ).cdx
csChFnd80/01151910432D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (681)
681

>  <Formula> (681)
C20H22O3

>  <MolWeight> (681)
310.38688

>  <Item Name> (681)
Avobenzone (Parsol 1789)

>  <Catalog Number> (681)
S1904

>  <Synonyms> (681)
Eusolex 9020, Escalol 517, Parsol 1789 

>  <Target> (681)
Others

>  <Form> (681)
Free Base

>  <URL> (681)
http://www.selleckchem.com/products/Avobenzone(Parsol-1789).html

>  <CAS Number> (681)
70356-09-1

$$$$
AT13387.cdx
csChFnd80/01151910432D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (682)
682

>  <Formula> (682)
C24H31N3O3

>  <MolWeight> (682)
409.52124

>  <Item Name> (682)
Onalespib (AT13387)

>  <Catalog Number> (682)
S1163

>  <Synonyms> (682)
N/A

>  <Target> (682)
HSP

>  <Form> (682)
Free Base

>  <URL> (682)
http://www.selleckchem.com/products/at13387.html

>  <CAS Number> (682)
912999-49-6

$$$$
Ganetespib(STA-9090).cdx
csChFnd80/01151910432D

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HSP

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Free Base

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888216-25-9

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EGFR, HER2

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Free Base

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

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231277-92-2

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MK-8245.cdx
csChFnd80/01151910432D

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Dehydrogenase

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Free Base

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http://www.selleckchem.com/products/mk-8245.html

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1030612-90-8

$$$$
NVP-BGT226.cdx
csChFnd80/01151910432D

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PI3K, mTOR

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>  <URL> (686)
http://www.selleckchem.com/products/nvp-bgt226.html

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1245537-68-1

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PA-824.cdx
csChFnd80/01151910432D

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PA-824

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S1162

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N/A

>  <Target> (687)
Antifection

>  <Form> (687)
Free Base

>  <URL> (687)
http://www.selleckchem.com/products/pa-824.html

>  <CAS Number> (687)
187235-37-6

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (688)
688

>  <Formula> (688)
C25H30ClI2NO3

>  <MolWeight> (688)
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>  <Item Name> (688)
Amiodarone HCl

>  <Catalog Number> (688)
S1979 

>  <Synonyms> (688)
N/A

>  <Target> (688)
Potassium Channel

>  <Form> (688)
Hydrochloride

>  <URL> (688)
http://www.selleckchem.com/products/amiodarone-hcl.html

>  <CAS Number> (688)
19774-82-4

$$$$
KW-2478.cdx
csChFnd80/01151910432D

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689

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C30H42N2O9

>  <MolWeight> (689)
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>  <Item Name> (689)
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HSP

>  <Form> (689)
Free Base

>  <URL> (689)
http://www.selleckchem.com/products/kw-2478.html

>  <CAS Number> (689)
819812-04-9

$$$$
ARQ-197.cdx
csChFnd80/01151910432D

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690

>  <Formula> (690)
C23H19N3O2

>  <MolWeight> (690)
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>  <Item Name> (690)
ARQ 197 (Tivantinib)

>  <Catalog Number> (690)
S2753 

>  <Synonyms> (690)
N/A 

>  <Target> (690)
c-Met

>  <Form> (690)
Free Base

>  <URL> (690)
http://www.selleckchem.com/products/arq-197.html

>  <CAS Number> (690)
905854-02-6

$$$$
CEP-18770.cdx
csChFnd80/01151910432D

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HDAC, PI3K

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Free Base

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http://www.selleckchem.com/products/cudc-907.html

>  <CAS Number> (695)
1339928-25-4

$$$$
AST-1306.cdx
csChFnd80/01151910432D

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696

>  <Formula> (696)
C31H26ClFN4O5S

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621.0783432

>  <Item Name> (696)
AST-1306

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S2185

>  <Synonyms> (696)
N/A

>  <Target> (696)
EGFR

>  <Form> (696)
Mesylate

>  <URL> (696)
http://www.selleckchem.com/products/ast-1306.html

>  <CAS Number> (696)
1050500-29-2

$$$$
MK-2461.cdx
csChFnd80/01151910432D

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697

>  <Formula> (697)
C24H25N5O5S

>  <MolWeight> (697)
495.5508

>  <Item Name> (697)
MK-2461

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S2774

>  <Synonyms> (697)
N/A 

>  <Target> (697)
c-Met, FGFR, PDGFR

>  <Form> (697)
Free Base

>  <URL> (697)
http://www.selleckchem.com/products/mk-2461.html

>  <CAS Number> (697)
917879-39-1

$$$$
Nocodazole.cdx
csChFnd80/01151910432D

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698

>  <Formula> (698)
C14H11N3O3S

>  <MolWeight> (698)
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Nocodazole

>  <Catalog Number> (698)
S2775

>  <Synonyms> (698)
N/A 

>  <Target> (698)
Microtubule Associated

>  <Form> (698)
Free Base

>  <URL> (698)
http://www.selleckchem.com/products/nocodazole.html

>  <CAS Number> (698)
31430-18-9

$$$$
CPI-613.cdx
csChFnd80/01151910432D

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  3 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
 13 14  1  0  0  0  0
  2 20  2  0  0  0  0
  1 21  1  0  0  0  0
  4 22  1  0  0  0  0
 23 24  1  0  0  0  0
 13 23  1  0  0  0  0
  6 25  1  0  0  0  0
M  END
>  <Mol_ID> (703)
703

>  <Formula> (703)
C19H17ClN2O3

>  <MolWeight> (703)
356.80288

>  <Item Name> (703)
Laquinimod (ABR-215062)

>  <Catalog Number> (703)
S2787 

>  <Synonyms> (703)
N/A 

>  <Target> (703)
Immunology & Inflammation related

>  <Form> (703)
Free Base

>  <URL> (703)
http://www.selleckchem.com/products/laquinimod-abr-215062.html

>  <CAS Number> (703)
248281-84-7

$$$$
CP-690550.cdx
csChFnd80/01151910432D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  6  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 12  1  0  0  0  0
 17 18  1  6  0  0  0
 14 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  3  0  0  0  0
M  END
>  <Mol_ID> (704)
704

>  <Formula> (704)
C16H20N6O

>  <MolWeight> (704)
312.3696

>  <Item Name> (704)
Tofacitinib (CP-690550, Tasocitinib)

>  <Catalog Number> (704)
S2789

>  <Synonyms> (704)
Tasocitinib 

>  <Target> (704)
JAK

>  <Form> (704)
Free Base

>  <URL> (704)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

>  <CAS Number> (704)
477600-75-2

$$$$
Istradefylline (KW-6002).cdx
csChFnd80/01151910432D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.3416    1.5320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4606    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2231    3.7941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5754    3.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7495    4.1942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9969    3.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0702    2.1606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8960    1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6486    2.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1711    4.3212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9693    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9793    0.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6762    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3176    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4917    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    1.2960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2960    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  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  9  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  8 11  2  0  0  0  0
  1 12  1  0  0  0  0
 13 14  1  0  0  0  0
  5 13  1  0  0  0  0
 15 16  1  0  0  0  0
  7 15  1  0  0  0  0
 17 18  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 24  1  0  0  0  0
 19 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
 27 28  1  0  0  0  0
 21 27  1  0  0  0  0
 18 19  1  0  0  0  0
  2 17  1  0  0  0  0
M  END
>  <Mol_ID> (705)
705

>  <Formula> (705)
C20H24N4O4

>  <MolWeight> (705)
384.42896

>  <Item Name> (705)
Istradefylline (KW-6002)

>  <Catalog Number> (705)
S2790

>  <Synonyms> (705)
N/A

>  <Target> (705)
Adenosine Receptor

>  <Form> (705)
Free Base

>  <URL> (705)
http://www.selleckchem.com/products/istradefylline-kw-6002.html

>  <CAS Number> (705)
155270-99-8

$$$$
Torcetrapib.cdx
csChFnd80/01151910432D

 41 43  0  0  0  0  0  0  0  0999 V2000
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    4.8582    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.8024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0748    4.9098    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4249    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2073    0.0000 F   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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 16 18  1  0  0  0  0
 18 19  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  1  0  0  0  0
 38 41  1  0  0  0  0
M  END
>  <Mol_ID> (706)
706

>  <Formula> (706)
C26H25F9N2O4

>  <MolWeight> (706)
600.4733288

>  <Item Name> (706)
Torcetrapib (CP-529414)

>  <Catalog Number> (706)
S2792

>  <Synonyms> (706)
N/A 

>  <Target> (706)
CETP

>  <Form> (706)
Free Base

>  <URL> (706)
http://www.selleckchem.com/products/torcetrapib-cp-529414.html

>  <CAS Number> (706)
262352-17-0

$$$$
Ciclopirox ethanolamine.cdx
csChFnd80/01151910432D

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.9439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.7463    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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 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (707)
707

>  <Formula> (707)
C14H24N2O3

>  <MolWeight> (707)
268.35196

>  <Item Name> (707)
Ciclopirox ethanolamine

>  <Catalog Number> (707)
S3019 

>  <Synonyms> (707)
N/A

>  <Target> (707)
ATPase

>  <Form> (707)
Ethanolamine

>  <URL> (707)
http://www.selleckchem.com/products/ciclopirox-ethanolamine.html

>  <CAS Number> (707)
41621-49-2

$$$$
Rimonabant.cdx
csChFnd80/01151910432D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.4544    3.2916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    2.8590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9000    3.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    5.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (708)
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Rimonabant (SR141716)

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>  <Synonyms> (708)
N/A 

>  <Target> (708)
Cannabinoid Receptor 

>  <Form> (708)
Free Base

>  <URL> (708)
http://www.selleckchem.com/products/rimonabant-sr141716.html

>  <CAS Number> (708)
168273-06-1

$$$$
Cabazitaxel.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (709)
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>  <Formula> (709)
C45H57NO14

>  <MolWeight> (709)
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>  <Item Name> (709)
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>  <Catalog Number> (709)
S3022 

>  <Synonyms> (709)
XRP-6258 

>  <Target> (709)
Microtubule Associated

>  <Form> (709)
Free Base

>  <URL> (709)
http://www.selleckchem.com/products/cabazitaxel-jevtana.html

>  <CAS Number> (709)
183133-96-2

$$$$
Bufexamac.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (710)
710

>  <Formula> (710)
C12H17NO3

>  <MolWeight> (710)
223.26828

>  <Item Name> (710)
Bufexamac

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S3023

>  <Synonyms> (710)
N/A 

>  <Target> (710)
HDAC 

>  <Form> (710)
Free Base

>  <URL> (710)
http://www.selleckchem.com/products/bufexamac.html

>  <CAS Number> (710)
2438-72-4

$$$$
Lamotrigine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (711)
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C9H7Cl2N5

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Sodium Channel 

>  <Form> (711)
Free Base

>  <URL> (711)
http://www.selleckchem.com/products/lamotrigine.html

>  <CAS Number> (711)
84057-84-1

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (712)
712

>  <Formula> (712)
C25H22N6O2

>  <MolWeight> (712)
438.48118

>  <Item Name> (712)
Sotrastaurin (AEB071)

>  <Catalog Number> (712)
S2791 

>  <Synonyms> (712)
N/A 

>  <Target> (712)
PKC 

>  <Form> (712)
Free Base

>  <URL> (712)
http://www.selleckchem.com/products/sotrastaurin-aeb071.html

>  <CAS Number> (712)
425637-18-9

$$$$
Lonafarnib.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (713)
713

>  <Formula> (713)
C27H31Br2ClN4O2

>  <MolWeight> (713)
638.82164

>  <Item Name> (713)
Lonafarnib (SCH66336)

>  <Catalog Number> (713)
S2797

>  <Synonyms> (713)
N/A 

>  <Target> (713)
Transferase

>  <Form> (713)
Free Base

>  <URL> (713)
http://www.selleckchem.com/products/lonafarnib-sch66336.html

>  <CAS Number> (713)
193275-84-2

$$$$
Bindarit.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (714)
714

>  <Formula> (714)
C19H20N2O3

>  <MolWeight> (714)
324.3737

>  <Item Name> (714)
Bindarit

>  <Catalog Number> (714)
S3032 

>  <Synonyms> (714)
N/A 

>  <Target> (714)
Others

>  <Form> (714)
Free Base

>  <URL> (714)
http://www.selleckchem.com/products/bindarit.html

>  <CAS Number> (714)
130641-38-2

$$$$
VN124-1£¨TOK-001£©.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (715)
715

>  <Formula> (715)
C26H32N2O

>  <MolWeight> (715)
388.54508

>  <Item Name> (715)
Galeterone (TOK-001)

>  <Catalog Number> (715)
S2803

>  <Synonyms> (715)
VN124-1 

>  <Target> (715)
Androgen Receptor, P450

>  <Form> (715)
Free Base

>  <URL> (715)
http://www.selleckchem.com/products/galeterone-tok-001.html

>  <CAS Number> (715)
851983-85-2

$$$$
Aminoglutethimide .cdx
csChFnd80/01151910432D

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>  <Mol_ID> (716)
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C13H16N2O2

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>  <Item Name> (716)
Aminoglutethimide (Cytadren)

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S1672

>  <Synonyms> (716)
N/A

>  <Target> (716)
Aromatase

>  <Form> (716)
Free Base

>  <URL> (716)
http://www.selleckchem.com/products/Aminoglutethimide(Cytadren).html

>  <CAS Number> (716)
125-84-8

$$$$
VISUDYNE (verteporfin).cdx
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>  <Item Name> (717)
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>  <Catalog Number> (717)
S1786

>  <Synonyms> (717)
Visudyne

>  <Target> (717)
5-alpha Reductase 

>  <Form> (717)
Free Base

>  <URL> (717)
http://www.selleckchem.com/products/Verteporfin(Visudyne).html

>  <CAS Number> (717)
129497-78-5

$$$$
AZD4547.cdx
csChFnd80/01151910432D

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FGFR

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>  <URL> (718)
http://www.selleckchem.com/products/azd4547.html

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1035270-39-3

$$$$
GDC-0068.cdx
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1001264-89-6

$$$$
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1195765-45-7

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PI3K

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1217486-61-7

$$$$
vildagliptin.cdx
csChFnd80/01151910432D

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$$$$
CI994.cdx
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112522-64-2

$$$$
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (724)
724

>  <Formula> (724)
C23H35NaO7

>  <MolWeight> (724)
446.50957

>  <Item Name> (724)
Pravastatin sodium

>  <Catalog Number> (724)
S3036

>  <Synonyms> (724)
Selektine 

>  <Target> (724)
HMG-CoA Reductase

>  <Form> (724)
Free Base

>  <URL> (724)
http://www.selleckchem.com/products/pravastatin-pravachol.html

>  <CAS Number> (724)
81131-70-6

$$$$
Daunomycin HCL.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (725)
725

>  <Formula> (725)
C27H30ClNO10

>  <MolWeight> (725)
563.9808

>  <Item Name> (725)
Daunorubicin HCl (Daunomycin HCl)

>  <Catalog Number> (725)
S3035

>  <Synonyms> (725)
N/A 

>  <Target> (725)
Telomerase

>  <Form> (725)
Hydrochloride

>  <URL> (725)
http://www.selleckchem.com/products/daunorubicin-hcl-daunomycin-hcl.html

>  <CAS Number> (725)
23541-50-6

$$$$
JNJ1661010.cdx
csChFnd80/01151910432D

 26 29  0  0  0  0  0  0  0  0999 V2000
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   10.1148    6.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (726)
726

>  <Formula> (726)
C19H19N5OS

>  <MolWeight> (726)
365.45206

>  <Item Name> (726)
JNJ 1661010

>  <Catalog Number> (726)
S2828

>  <Synonyms> (726)
N/A 

>  <Target> (726)
FAAH

>  <Form> (726)
Free Base

>  <URL> (726)
http://www.selleckchem.com/products/jnj-1661010.html

>  <CAS Number> (726)
681136-29-8

$$$$
Thalidomide.cdx
csChFnd80/01151910432D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (727)
727

>  <Formula> (727)
C13H10N2O4

>  <MolWeight> (727)
258.2295

>  <Item Name> (727)
Thalidomide

>  <Catalog Number> (727)
S1193

>  <Synonyms> (727)
Thalomid 

>  <Target> (727)
E3 Ligase ,TNF-alpha

>  <Form> (727)
Free Base

>  <URL> (727)
http://www.selleckchem.com/products/Thalidomide.html

>  <CAS Number> (727)
50-35-1

$$$$
Finasteride.cdx
csChFnd80/01151910432D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  4 29  1  6  0  0  0
 10 30  1  6  0  0  0
 11 31  1  6  0  0  0
M  END
>  <Mol_ID> (728)
728

>  <Formula> (728)
C23H36N2O2

>  <MolWeight> (728)
372.54414

>  <Item Name> (728)
Finasteride

>  <Catalog Number> (728)
S1197

>  <Synonyms> (728)
N/A 

>  <Target> (728)
5-alpha Reductase

>  <Form> (728)
Free Base

>  <URL> (728)
http://www.selleckchem.com/products/Finasteride.html

>  <CAS Number> (728)
98319-26-7

$$$$
Bisoprolol Fumarate.cdx
csChFnd80/01151910432D

 31 30  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
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 28 30  2  0  0  0  0
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M  END
>  <Mol_ID> (729)
729

>  <Formula> (729)
C22H35NO8

>  <MolWeight> (729)
441.5152

>  <Item Name> (729)
Bisoprolol fumarate

>  <Catalog Number> (729)
S1206

>  <Synonyms> (729)
EMD33512

>  <Target> (729)
Adrenergic Receptor

>  <Form> (729)
fumarate

>  <URL> (729)
http://www.selleckchem.com/products/Bisoprolol-Fumarate.html

>  <CAS Number> (729)
104344-23-2

$$$$
Dacarbazine.cdx
csChFnd80/01151910432D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.5124    0.0000    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 13  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (730)
730

>  <Formula> (730)
C6H10N6O

>  <MolWeight> (730)
182.1832

>  <Item Name> (730)
Dacarbazine (DTIC-Dome)

>  <Catalog Number> (730)
S1221

>  <Synonyms> (730)
DTIC 

>  <Target> (730)
DNA/RNA Synthesis

>  <Form> (730)
Free Base

>  <URL> (730)
http://www.selleckchem.com/products/Dacarbazine.html

>  <CAS Number> (730)
4342-03-4

$$$$
Entecavir hydrate.cdx
csChFnd80/01151910432D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (731)
731

>  <Formula> (731)
C12H17N5O4

>  <MolWeight> (731)
295.29448

>  <Item Name> (731)
Entecavir hydrate

>  <Catalog Number> (731)
S1252

>  <Synonyms> (731)
Baraclude 

>  <Target> (731)
Reverse Transcriptase

>  <Form> (731)
Hydrate

>  <URL> (731)
http://www.selleckchem.com/products/Entecavir.html

>  <CAS Number> (731)
209216-23-9

$$$$
Rufinamide.cdx
csChFnd80/01151910432D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (732)
732

>  <Formula> (732)
C10H8F2N4O

>  <MolWeight> (732)
238.1935264

>  <Item Name> (732)
Rufinamide (Banzel)

>  <Catalog Number> (732)
S1256

>  <Synonyms> (732)
Banzel 

>  <Target> (732)
Sodium Channel

>  <Form> (732)
Free Base

>  <URL> (732)
http://www.selleckchem.com/products/Rufinamide.html

>  <CAS Number> (732)
106308-44-5

$$$$
Acarbose.cdx
csChFnd80/01151910432D

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  6 16  1  1  0  0  0
  2 17  1  1  0  0  0
 18  8  1  6  0  0  0
 18 19  1  0  0  0  0
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 21 22  1  0  0  0  0
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 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 27  1  1  0  0  0
 23 28  1  6  0  0  0
 11 29  1  1  0  0  0
 15 30  1  1  0  0  0
 30 31  1  0  0  0  0
 12 32  1  6  0  0  0
 13 33  1  6  0  0  0
 34 33  1  6  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
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 36 40  1  6  0  0  0
 37 41  1  1  0  0  0
 35 42  1  1  0  0  0
 39 43  1  1  0  0  0
 43 44  1  0  0  0  0
M  END
>  <Mol_ID> (733)
733

>  <Formula> (733)
C25H43NO18

>  <MolWeight> (733)
645.60482

>  <Item Name> (733)
Acarbose

>  <Catalog Number> (733)
S1271

>  <Synonyms> (733)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (733)
Others

>  <Form> (733)
Free Base

>  <URL> (733)
http://www.selleckchem.com/products/Acarbose.html

>  <CAS Number> (733)
56180-94-0

$$$$

csChFnd80/01151910432D

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.4530   10.3749    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.0931    2.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0404    7.0719    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7000    6.6687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    7.8811    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.9603    7.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3028    6.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.8811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2770   10.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2569   10.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9326    5.6809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8008    9.2204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2293    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0522    2.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3837    2.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3837    4.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0522    4.5566    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7442    2.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4532    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6656    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7060    0.9368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5341    2.2115    0.0000 O   0  0  0  0  0  0  0  0  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
  3  7  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  1  0  0  0
  4 11  1  1  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  3 14  1  1  0  0  0
  6 15  1  6  0  0  0
 10 16  1  6  0  0  0
 16 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
 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 21  1  0  0  0  0
 20 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 20  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
>  <Mol_ID> (734)
734

>  <Formula> (734)
C19H24BrNO5S2

>  <MolWeight> (734)
490.43156

>  <Item Name> (734)
Tiotropium Bromide hydrate

>  <Catalog Number> (734)
S2547

>  <Synonyms> (734)
N/A 

>  <Target> (734)
AChR

>  <Form> (734)
quaternary-N bromide salt&hydr

>  <URL> (734)
http://www.selleckchem.com/products/Tiotropium-Bromide-hydrate.html

>  <CAS Number> (734)
139404-48-1

$$$$
Tioxolone.cdx
csChFnd80/01151910432D

 11 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
    4.9646    0.2674    0.0000 S   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 O   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
    7.1826    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
  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  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (735)
735

>  <Formula> (735)
C7H4O3S

>  <MolWeight> (735)
168.16986

>  <Item Name> (735)
Tioxolone

>  <Catalog Number> (735)
S2603

>  <Synonyms> (735)
N/A 

>  <Target> (735)
Carbonic Anhydrase

>  <Form> (735)
Free Base

>  <URL> (735)
http://www.selleckchem.com/products/tioxolone.html

>  <CAS Number> (735)
4991-65-5

$$$$
PHA.cdx
csChFnd80/01151910432D

 16 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 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
    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
    4.9121    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1488    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7794    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2488    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9488    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2488    5.6934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    5.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1513    6.9016    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  2  0  0  0  0
 10 11  1  0  0  0  0
 11  7  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 10  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (736)
736

>  <Formula> (736)
C12H11N3O

>  <MolWeight> (736)
213.23524

>  <Item Name> (736)
PHA-767491

>  <Catalog Number> (736)
S2742

>  <Synonyms> (736)
N/A 

>  <Target> (736)
CDK

>  <Form> (736)
Free Base

>  <URL> (736)
http://www.selleckchem.com/products/pha-767491.html

>  <CAS Number> (736)
845714-00-3

$$$$
Sodium salicylate.cdx
csChFnd80/01151910432D

 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
    4.2000    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (737)
737

>  <Formula> (737)
C7H6NaO3

>  <MolWeight> (737)
161.11051

>  <Item Name> (737)
Sodium salicylate

>  <Catalog Number> (737)
S3137

>  <Synonyms> (737)
N/A 

>  <Target> (737)
NF-¦ÊB

>  <Form> (737)
sodium salt

>  <URL> (737)
http://www.selleckchem.com/products/sodium-salicylate.html

>  <CAS Number> (737)
54-21-7

$$$$
Sulfamerazine.cdx
csChFnd80/01151910432D

 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
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6995    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0124    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
 13 17  1  0  0  0  0
 10 11  1  0  0  0  0
  4 18  1  0  0  0  0
M  END
>  <Mol_ID> (738)
738

>  <Formula> (738)
C11H12N4O2S

>  <MolWeight> (738)
264.30358

>  <Item Name> (738)
Sulfamerazine

>  <Catalog Number> (738)
S3132

>  <Synonyms> (738)
N/A 

>  <Target> (738)
Antifection

>  <Form> (738)
Free Base

>  <URL> (738)
http://www.selleckchem.com/products/sulfamerazine.html

>  <CAS Number> (738)
127-79-7

$$$$
Sulfamethazine.cdx
csChFnd80/01151910432D

 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 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    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8313    3.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8951    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    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
  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
  8 11  2  0  0  0  0
  8 12  2  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 17  2  0  0  0  0
 17 10  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <Mol_ID> (739)
739

>  <Formula> (739)
C12H14N4O2S

>  <MolWeight> (739)
278.33016

>  <Item Name> (739)
Sulfamethazine

>  <Catalog Number> (739)
S3133

>  <Synonyms> (739)
N/A 

>  <Target> (739)
Antifection

>  <Form> (739)
Free Base

>  <URL> (739)
http://www.selleckchem.com/products/sulfamethazine.html

>  <CAS Number> (739)
57-68-1

$$$$
Trimethoprim.cdx
csChFnd80/01151910432D

 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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    8.4870    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
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    6.0622    2.8000    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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  3  4  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (740)
740

>  <Formula> (740)
C14H18N4O3

>  <MolWeight> (740)
290.31772

>  <Item Name> (740)
Trimethoprim

>  <Catalog Number> (740)
S3129

>  <Synonyms> (740)
N/A 

>  <Target> (740)
Antifection

>  <Form> (740)
Free Base

>  <URL> (740)
http://www.selleckchem.com/products/trimethoprim.html

>  <CAS Number> (740)
738-70-5

$$$$
Entacapone.cdx
csChFnd80/01151910432D

 22 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  5  1  0  0  0  0
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  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  5  8  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
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 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 14 16  1  0  0  0  0
 13 19  1  0  0  0  0
 12 20  1  0  0  0  0
  3 10  1  0  0  0  0
 21 22  3  0  0  0  0
  2 21  1  0  0  0  0
M  END
>  <Mol_ID> (741)
741

>  <Formula> (741)
C14H15N3O5

>  <MolWeight> (741)
305.286

>  <Item Name> (741)
Entacapone

>  <Catalog Number> (741)
S3147 

>  <Synonyms> (741)
N/A 

>  <Target> (741)
Histone Methyltransferase

>  <Form> (741)
Free Base

>  <URL> (741)
http://www.selleckchem.com/products/entacapone.html

>  <CAS Number> (741)
130929-57-6

$$$$
Estradiol Valerate.cdx
csChFnd80/01151910432D

 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
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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
  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
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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  1  0  0  0  0
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 12 20  1  1  0  0  0
 17 21  1  1  0  0  0
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 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
 26 27  1  0  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
M  END
>  <Mol_ID> (742)
742

>  <Formula> (742)
C23H32O3

>  <MolWeight> (742)
356.49838

>  <Item Name> (742)
Estradiol valerate

>  <Catalog Number> (742)
S3149

>  <Synonyms> (742)
N/A 

>  <Target> (742)
Estrogen/progestogen Receptor

>  <Form> (742)
Free Base

>  <URL> (742)
http://www.selleckchem.com/products/estradiol-valerate.html

>  <CAS Number> (742)
979-32-8

$$$$
Articaine hydrochloride.cdx
csChFnd80/01151910432D

 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
    7.4210    5.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8447    2.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8043    1.4564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.6320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6320    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (743)
743

>  <Formula> (743)
C13H21ClN2O3S

>  <MolWeight> (743)
320.83544

>  <Item Name> (743)
Articaine HCl

>  <Catalog Number> (743)
S3150

>  <Synonyms> (743)
N/A 

>  <Target> (743)
Others

>  <Form> (743)
Hydrochloride

>  <URL> (743)
http://www.selleckchem.com/products/articaine-hydrochloride.html

>  <CAS Number> (743)
23964-57-0

$$$$
Gliquidone.cdx
csChFnd80/01151910432D

 37 40  0  0  0  0  0  0  0  0999 V2000
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 31 32  1  0  0  0  0
 29 31  1  0  0  0  0
 10 29  1  0  0  0  0
M  END
>  <Mol_ID> (744)
744

>  <Formula> (744)
C27H33N3O6S

>  <MolWeight> (744)
527.63242

>  <Item Name> (744)
Gliquidone

>  <Catalog Number> (744)
S3151

>  <Synonyms> (744)
Glurenorm 

>  <Target> (744)
Potassium Channel

>  <Form> (744)
Free Base

>  <URL> (744)
http://www.selleckchem.com/products/gliquidone.html

>  <CAS Number> (744)
33342-05-1

$$$$
Butenafine Hydrochloride.cdx
csChFnd80/01151910432D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    9.1000    5.0373    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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 18 21  1  0  0  0  0
 14 15  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (745)
745

>  <Formula> (745)
C23H28ClN

>  <MolWeight> (745)
353.92812

>  <Item Name> (745)
Butenafine HCl

>  <Catalog Number> (745)
S3154

>  <Synonyms> (745)
N/A 

>  <Target> (745)
Antifection

>  <Form> (745)
HCl

>  <URL> (745)
http://www.selleckchem.com/products/butenafine-hydrochloride.html

>  <CAS Number> (745)
101827-46-7

$$$$
Mepivacaine hydrochloride.cdx
csChFnd80/01151910432D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
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  2  7  1  0  0  0  0
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 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
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (746)
746

>  <Formula> (746)
C15H23ClN2O

>  <MolWeight> (746)
282.80892

>  <Item Name> (746)
Mepivacaine HCl

>  <Catalog Number> (746)
S3155

>  <Synonyms> (746)
N/A 

>  <Target> (746)
Sodium Channel

>  <Form> (746)
HCl

>  <URL> (746)
http://www.selleckchem.com/products/mepivacaine-hydrochloride.html

>  <CAS Number> (746)
1722-62-9

$$$$
Tylosin tartrate.cdx
csChFnd80/01151910432D

 76 78  0  0  0  0  0  0  0  0999 V2000
    7.2578   11.3182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2578    9.9182    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (747)
747

>  <Formula> (747)
C50H83NO23

>  <MolWeight> (747)
1066.18692

>  <Item Name> (747)
Tylosin tartrate

>  <Catalog Number> (747)
S3162

>  <Synonyms> (747)
N/A 

>  <Target> (747)
Antifection

>  <Form> (747)
Tartrate

>  <URL> (747)
http://www.selleckchem.com/products/tylosin-tartrate.html

>  <CAS Number> (747)
74610-55-2

$$$$
Benztropine mesylate.cdx
csChFnd80/01151910432D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    6.3310    6.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6335    7.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7262    6.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3335    8.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6335   10.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2335   10.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    8.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2335    7.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4262    5.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8262    5.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5262    6.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8262    7.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4262    7.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7246    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3246    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1246    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7246    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  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
  7  8  1  6  0  0  0
  3  8  1  6  0  0  0
  5  9  1  1  0  0  0
  9 10  1  0  0  0  0
 11  8  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  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
 13 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 13  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> (748)
748

>  <Formula> (748)
C22H29NO4S

>  <MolWeight> (748)
403.53496

>  <Item Name> (748)
Benztropine mesylate

>  <Catalog Number> (748)
S3163

>  <Synonyms> (748)
N/A 

>  <Target> (748)
Histamine Receptor

>  <Form> (748)
Mesylate

>  <URL> (748)
http://www.selleckchem.com/products/benztropine-mesylate.html

>  <CAS Number> (748)
132-17-2

$$$$
Betahistine dihydrochloride.cdx
csChFnd80/01151910432D

 12 10  0  0  0  0  0  0  0  0999 V2000
   22.3586    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3586    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5710    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7835    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7835    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5710    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9337    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7213    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5089    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2178    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.8178    1.4000    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
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (749)
749

>  <Formula> (749)
C8H14Cl2N2

>  <MolWeight> (749)
209.11616

>  <Item Name> (749)
Betahistine 2HCl

>  <Catalog Number> (749)
S3176

>  <Synonyms> (749)
N/A 

>  <Target> (749)
Histamine Receptor

>  <Form> (749)
2HCl

>  <URL> (749)
http://www.selleckchem.com/products/betahistine-dihydrochloride.html

>  <CAS Number> (749)
5579-84-0

$$$$
Brinzolamide.cdx
csChFnd80/01151910432D

 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
    3.3048    6.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430    5.1368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6282    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    8.8406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0047    3.0431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9046    1.4844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    4.9000    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
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  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
  8 10  1  0  0  0  0
  1 14  2  0  0  0  0
  1 15  2  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
 18 19  1  0  0  0  0
  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> (750)
750

>  <Formula> (750)
C12H21N3O5S3

>  <MolWeight> (750)
383.50724

>  <Item Name> (750)
Brinzolamide

>  <Catalog Number> (750)
S3178

>  <Synonyms> (750)
Azopt 

>  <Target> (750)
Carbonic Anhydrase

>  <Form> (750)
Free Base

>  <URL> (750)
http://www.selleckchem.com/products/brinzolamide.html

>  <CAS Number> (750)
138890-62-7

$$$$
Carbenicillin disodium.cdx
csChFnd80/01151910432D

 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
    7.0060    3.9598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960    2.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.7106    4.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7207    5.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830    7.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   11.0629    5.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.9759    0.9899    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    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
 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
 18 23  2  0  0  0  0
 17 18  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 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> (751)
751

>  <Formula> (751)
C17H16N2Na2O6S

>  <MolWeight> (751)
422.36328

>  <Item Name> (751)
Carbenicillin disodium

>  <Catalog Number> (751)
S3179

>  <Synonyms> (751)
N/A 

>  <Target> (751)
Antifection

>  <Form> (751)
Disodium

>  <URL> (751)
http://www.selleckchem.com/products/carbenicillin-disodium.html

>  <CAS Number> (751)
4800-94-6

$$$$
Eletriptan hydrobromide.cdx
csChFnd80/01151910432D

 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
   12.6610    5.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8734    4.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0858    5.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0858    6.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8734    7.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6610    6.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    5.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834    7.0471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    5.7681    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
 12 14  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
 12 15  1  0  0  0  0
 11 12  1  0  0  0  0
  6 10  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 26  1  0  0  0  0
 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> (752)
752

>  <Formula> (752)
C22H27BrN2O2S

>  <MolWeight> (752)
463.43098

>  <Item Name> (752)
Eletriptan HBr

>  <Catalog Number> (752)
S3180

>  <Synonyms> (752)
N/A 

>  <Target> (752)
5-HT Receptor

>  <Form> (752)
HBr

>  <URL> (752)
http://www.selleckchem.com/products/eletriptan-hydrobromide.html

>  <CAS Number> (752)
177834-92-3

$$$$
Flumequine.cdx
csChFnd80/01151910432D

 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
    3.6372    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8482    0.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    6.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    7.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    7.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611    4.9017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2735    0.0015    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
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (753)
753

>  <Formula> (753)
C14H12FNO3

>  <MolWeight> (753)
261.2483832

>  <Item Name> (753)
Flumequine

>  <Catalog Number> (753)
S3181

>  <Synonyms> (753)
N/A 

>  <Target> (753)
Topoisomerase

>  <Form> (753)
Free Base

>  <URL> (753)
http://www.selleckchem.com/products/flumequine.html

>  <CAS Number> (753)
42835-25-6

$$$$
Ticarcillin sodium.cdx
csChFnd80/01151910432D

 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
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   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
   19.8434    3.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9624    4.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7248    5.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0771    5.5943    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.4710    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8233    1.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1087    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7376    2.9784    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   10.3377    2.9784    0.0000 Na  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
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  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  0  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
 17 15  1  1  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
 18 22  1  0  0  0  0
 17 19  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 17 23  1  0  0  0  0
 14 15  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (754)
754

>  <Formula> (754)
C15H16N2Na2O6S2

>  <MolWeight> (754)
430.40688

>  <Item Name> (754)
Ticarcillin sodium

>  <Catalog Number> (754)
S3193

>  <Synonyms> (754)
N/A 

>  <Target> (754)
Others

>  <Form> (754)
Sodium

>  <URL> (754)
http://www.selleckchem.com/products/ticarcillin-sodium.html

>  <CAS Number> (754)
29457-07-6

$$$$
Azlocillin sodium salt.cdx
csChFnd80/01151910432D

 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
    4.6562    4.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752    5.4651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5377    6.6393    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9000    7.9916    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2523    7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1374    4.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0641    2.7183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3498    4.8164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    9.2040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   10.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   10.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   11.6289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8000   11.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   10.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   10.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   12.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   12.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   12.8413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   12.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   11.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4306   15.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4710   16.2695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6834   15.5695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3923   14.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   14.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612   15.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4647    8.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2918    3.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4821    3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6651    0.0000    0.0000 Na  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  0  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
 22 23  2  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
 24 28  1  0  0  0  0
 24 29  2  0  0  0  0
 22 28  1  0  0  0  0
 21 22  1  0  0  0  0
 14 21  1  1  0  0  0
 11 12  1  0  0  0  0
  6 11  1  0  0  0  0
  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> (755)
755

>  <Formula> (755)
C20H23N5NaO6S

>  <MolWeight> (755)
484.48129

>  <Item Name> (755)
Azlocillin sodium salt

>  <Catalog Number> (755)
S3195

>  <Synonyms> (755)
N/A 

>  <Target> (755)
Antifection

>  <Form> (755)
Sodium Salt

>  <URL> (755)
http://www.selleckchem.com/products/azlocillin-sodium-salt.html

>  <CAS Number> (755)
37091-65-9

$$$$
Trifluoperazine dihydrochloride.cdx
csChFnd80/01151910432D

 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
   13.0505    1.9124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.4753    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5629    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   19.1629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2629    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6629    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.3629    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   23.3629    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
 12 13  1  0  0  0  0
 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
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
  2 15  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  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
 22 27  1  0  0  0  0
 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> (756)
756

>  <Formula> (756)
C21H26Cl2F3N3S

>  <MolWeight> (756)
480.4174496

>  <Item Name> (756)
Trifluoperazine 2HCl

>  <Catalog Number> (756)
S3201

>  <Synonyms> (756)
 N/A 

>  <Target> (756)
Dopamine Receptor

>  <Form> (756)
Dihydrochlorid

>  <URL> (756)
http://www.selleckchem.com/products/trifluoperazine-dihydrochloride.html

>  <CAS Number> (756)
440-17-5

$$$$
Meptazinol hydrochloride.cdx
csChFnd80/01151910432D

 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
    8.3740    2.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.8147    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  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  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
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 15 16  1  0  0  0  0
  9 15  1  0  0  0  0
  3  9  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
>  <Mol_ID> (757)
757

>  <Formula> (757)
C15H24ClNO

>  <MolWeight> (757)
269.81016

>  <Item Name> (757)
Meptazinol HCl

>  <Catalog Number> (757)
S3204

>  <Synonyms> (757)
N/A 

>  <Target> (757)
Opioid Receptor

>  <Form> (757)
HCl

>  <URL> (757)
http://www.selleckchem.com/products/meptazinol-hydrochloride.html

>  <CAS Number> (757)
59263-76-2

$$$$
Adrenalone hydrochloride.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (758)
758

>  <Formula> (758)
C9H12ClNO3

>  <MolWeight> (758)
217.64948

>  <Item Name> (758)
Adrenalone HCl

>  <Catalog Number> (758)
S3185

>  <Synonyms> (758)
N/A 

>  <Target> (758)
Adrenergic Receptor

>  <Form> (758)
hydrochloride

>  <URL> (758)
http://www.selleckchem.com/products/adrenalone-hcl.html

>  <CAS Number> (758)
62-13-5

$$$$
Azacyclonol.cdx
csChFnd80/01151910432D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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  1  6  1  0  0  0  0
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  7 15  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <Mol_ID> (759)
759

>  <Formula> (759)
C18H21NO

>  <MolWeight> (759)
267.36544

>  <Item Name> (759)
Azacyclonol

>  <Catalog Number> (759)
S3196

>  <Synonyms> (759)
N/A 

>  <Target> (759)
5-HT Receptor

>  <Form> (759)
Free Base

>  <URL> (759)
http://www.selleckchem.com/products/azacyclonol.html

>  <CAS Number> (759)
115-46-8

$$$$
Reboxetine mesylate.cdx
csChFnd80/01151910432D

 29 30  0  0  0  0  0  0  0  0999 V2000
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (760)
760

>  <Formula> (760)
C20H27NO6S

>  <MolWeight> (760)
409.49648

>  <Item Name> (760)
Reboxetine mesylate

>  <Catalog Number> (760)
S3199 

>  <Synonyms> (760)
N/A 

>  <Target> (760)
Others

>  <Form> (760)
Mesylate

>  <URL> (760)
http://www.selleckchem.com/products/reboxetine-mesylate.html

>  <CAS Number> (760)
98769-84-7

$$$$
Triflusal.cdx
csChFnd80/01151910432D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (761)
761

>  <Formula> (761)
C10H7F3O4

>  <MolWeight> (761)
248.1553896

>  <Item Name> (761)
Triflusal

>  <Catalog Number> (761)
S3200

>  <Synonyms> (761)
N/A 

>  <Target> (761)
COX

>  <Form> (761)
Free Base

>  <URL> (761)
http://www.selleckchem.com/products/triflusal.html

>  <CAS Number> (761)
322-79-2

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/01151910432D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 31 12  2  0  0  0  0
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M  END
>  <Mol_ID> (762)
762

>  <Formula> (762)
C22H19ClN6O2S

>  <MolWeight> (762)
466.94326

>  <Item Name> (762)
Varlitinib

>  <Catalog Number> (762)
S2755

>  <Synonyms> (762)
ARRY334543

>  <Target> (762)
EGFR

>  <Form> (762)
Free Base

>  <URL> (762)
http://www.selleckchem.com/products/arry334543.html

>  <CAS Number> (762)
845272-21-1

$$$$
Xylazine HCl.cdx
csChFnd80/01151910432D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (763)
763

>  <Formula> (763)
C12H17ClN2S

>  <MolWeight> (763)
256.79478

>  <Item Name> (763)
Xylazine HCl

>  <Catalog Number> (763)
S2516

>  <Synonyms> (763)
N/A 

>  <Target> (763)
Adrenergic Receptor

>  <Form> (763)
Hydrochloride

>  <URL> (763)
http://www.selleckchem.com/products/Xylazine(Rompun).html

>  <CAS Number> (763)
23076-35-9

$$$$
Fexofenadine HCl.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (764)
764

>  <Formula> (764)
C32H40ClNO4

>  <MolWeight> (764)
538.1173

>  <Item Name> (764)
Fexofenadine HCl

>  <Catalog Number> (764)
S3208

>  <Synonyms> (764)
N/A 

>  <Target> (764)
Histamine Receptor

>  <Form> (764)
hydrochloride

>  <URL> (764)
http://www.selleckchem.com/products/fexofenadine-hcl.html

>  <CAS Number> (764)
153439-40-8

$$$$
Moclobemide.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (765)
765

>  <Formula> (765)
C13H17ClN2O2

>  <MolWeight> (765)
268.73928

>  <Item Name> (765)
Moclobemide (Ro 111163)

>  <Catalog Number> (765)
S3212

>  <Synonyms> (765)
N/A 

>  <Target> (765)
MAO

>  <Form> (765)
Free Base

>  <URL> (765)
http://www.selleckchem.com/products/moclobemide.html

>  <CAS Number> (765)
71320-77-9

$$$$
Tideglusib.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (766)
766

>  <Formula> (766)
C19H14N2O2S

>  <MolWeight> (766)
334.39166

>  <Item Name> (766)
Tideglusib

>  <Catalog Number> (766)
S2823

>  <Synonyms> (766)
N/A 

>  <Target> (766)
GSK-3

>  <Form> (766)
Free Base

>  <URL> (766)
http://www.selleckchem.com/products/tideglusib.html

>  <CAS Number> (766)
865854-05-3 

$$$$
ARN-509.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (767)
767

>  <Formula> (767)
C21H15F4N5O2S

>  <MolWeight> (767)
477.4347128

>  <Item Name> (767)
ARN-509

>  <Catalog Number> (767)
S2840

>  <Synonyms> (767)
N/A 

>  <Target> (767)
Adrenergic Receptor

>  <Form> (767)
Free Base

>  <URL> (767)
http://www.selleckchem.com/products/arn-509.html

>  <CAS Number> (767)
956104-40-8

$$$$
Ascorbic acid.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (768)
768

>  <Formula> (768)
C6H8O6

>  <MolWeight> (768)
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>  <Item Name> (768)
Vitamin C (Ascorbic acid)

>  <Catalog Number> (768)
S3114

>  <Synonyms> (768)
N/A 

>  <Target> (768)
Vitamin

>  <Form> (768)
Free Base

>  <URL> (768)
http://www.selleckchem.com/products/vitamin-c-ascorbic-acid.html

>  <CAS Number> (768)
50-81-7

$$$$
Sulfathiazole.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (769)
769

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C9H9N3O2S2

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255.31666

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Sulfathiazole

>  <Catalog Number> (769)
S3116

>  <Synonyms> (769)
N/A 

>  <Target> (769)
Antifection

>  <Form> (769)
Free Base

>  <URL> (769)
http://www.selleckchem.com/products/sulfathiazole.html

>  <CAS Number> (769)
72-14-0

$$$$
carfilzomib(PR-171).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (770)
770

>  <Formula> (770)
C40H57N5O7

>  <MolWeight> (770)
719.90988

>  <Item Name> (770)
Carfilzomib (PR-171)

>  <Catalog Number> (770)
S2853

>  <Synonyms> (770)
N/A 

>  <Target> (770)
Proteasome

>  <Form> (770)
Free Base

>  <URL> (770)
http://www.selleckchem.com/products/carfilzomib-pr-171.html

>  <CAS Number> (770)
868540-17-4

$$$$
VIOXX (rofecoxib).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (771)
771

>  <Formula> (771)
C17H14O4S

>  <MolWeight> (771)
314.35566

>  <Item Name> (771)
Rofecoxib (Vioxx)

>  <Catalog Number> (771)
S3043

>  <Synonyms> (771)
N/A 

>  <Target> (771)
COX

>  <Form> (771)
Free Base

>  <URL> (771)
http://www.selleckchem.com/products/rofecoxib-vioxx.html

>  <CAS Number> (771)
N/A 

$$$$
Azilsartan.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (772)
772

>  <Formula> (772)
C25H20N4O5

>  <MolWeight> (772)
456.4501

>  <Item Name> (772)
Azilsartan (TAK-536)

>  <Catalog Number> (772)
S3046

>  <Synonyms> (772)
N/A 

>  <Target> (772)
RAAS

>  <Form> (772)
Free Base

>  <URL> (772)
http://www.selleckchem.com/products/azilsartan-tak-536.html

>  <CAS Number> (772)
147403-03-0

$$$$
Cinepazide maleate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (773)
773

>  <Formula> (773)
C26H35N3O9

>  <MolWeight> (773)
533.5708

>  <Item Name> (773)
Cinepazide maleate

>  <Catalog Number> (773)
S3045

>  <Synonyms> (773)
N/A 

>  <Target> (773)
Calcium Channel

>  <Form> (773)
Maleate

>  <URL> (773)
http://www.selleckchem.com/products/cinepazide-maleate.html

>  <CAS Number> (773)
26328-04-1

$$$$
Semaxanib.cdx
csChFnd80/01151910432D

 18 20  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
    3.7563    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
    3.7563    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    3.8641    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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M  END
>  <Mol_ID> (774)
774

>  <Formula> (774)
C15H14N2O

>  <MolWeight> (774)
238.28446

>  <Item Name> (774)
Semaxanib (SU5416)

>  <Catalog Number> (774)
S2845

>  <Synonyms> (774)
N/A 

>  <Target> (774)
VEGFR

>  <Form> (774)
Free Base

>  <URL> (774)
http://www.selleckchem.com/products/semaxanib-su5416.html

>  <CAS Number> (774)
194413-58-6

$$$$
Equol.cdx
csChFnd80/01151910432D

 18 20  0  0  0  0  0  0  0  0999 V2000
    5.6000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6000    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> (775)
775

>  <Formula> (775)
C15H14O3

>  <MolWeight> (775)
242.26986

>  <Item Name> (775)
Equol

>  <Catalog Number> (775)
S2450

>  <Synonyms> (775)
N/A 

>  <Target> (775)
Estrogen/progestogen Receptor

>  <Form> (775)
Free Base

>  <URL> (775)
http://www.selleckchem.com/products/equol.html

>  <CAS Number> (775)
531-95-3

$$$$
Otilonium Bromide.cdx
csChFnd80/01151910432D

 36 36  0  0  0  0  0  0  0  0999 V2000
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   21.8238    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   19.3990    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (776)
776

>  <Formula> (776)
C29H43BrN2O4

>  <MolWeight> (776)
563.56672

>  <Item Name> (776)
Otilonium Bromide

>  <Catalog Number> (776)
S3047

>  <Synonyms> (776)
N/A

>  <Target> (776)
AChR

>  <Form> (776)
quaternary-N bromide salt

>  <URL> (776)
http://www.selleckchem.com/products/otilonium-bromide.html

>  <CAS Number> (776)
26095-59-0

$$$$
Cyclocytidine hydrochloride.cdx
csChFnd80/01151910432D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (777)
777

>  <Formula> (777)
C9H12ClN3O4

>  <MolWeight> (777)
261.66228

>  <Item Name> (777)
Cyclocytidine HCl

>  <Catalog Number> (777)
S1973

>  <Synonyms> (777)
N/A 

>  <Target> (777)
DNA/RNA Synthesis

>  <Form> (777)
Hydrochloride

>  <URL> (777)
http://www.selleckchem.com/products/cyclocytidine-hcl.html

>  <CAS Number> (777)
10212-25-6

$$$$
IMD0354.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (778)
778

>  <Formula> (778)
C15H8ClF6NO2

>  <MolWeight> (778)
383.6729392

>  <Item Name> (778)
IMD0354

>  <Catalog Number> (778)
S2864

>  <Synonyms> (778)
N/A

>  <Target> (778)
IKK

>  <Form> (778)
Free Base

>  <URL> (778)
http://www.selleckchem.com/products/imd-0354.html

>  <CAS Number> (778)
978-62-1

$$$$
E7050.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (779)
779

>  <Formula> (779)
C33H37F2N7O4

>  <MolWeight> (779)
633.6881864

>  <Item Name> (779)
Golvatinib (E7050) 

>  <Catalog Number> (779)
S2859

>  <Synonyms> (779)
E7050

>  <Target> (779)
c-Met, VEGFR

>  <Form> (779)
Free Base

>  <URL> (779)
http://www.selleckchem.com/products/golvatinib-e7050.html

>  <CAS Number> (779)
928037-13-2

$$$$
Bosentan hydrate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (780)
780

>  <Formula> (780)
C27H31N5O7S

>  <MolWeight> (780)
569.62934

>  <Item Name> (780)
Bosentan Hydrate

>  <Catalog Number> (780)
S3051

>  <Synonyms> (780)
N/A

>  <Target> (780)
ETA Receptor

>  <Form> (780)
Hydrate

>  <URL> (780)
http://www.selleckchem.com/products/bosentan-hydrate.html

>  <CAS Number> (780)
157212-55-0

$$$$
Alverine citrate.cdx
csChFnd80/01151910432D

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    6.0622    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   11.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6317    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0566    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9442    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2442    1.0751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3442    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4442    3.5000    0.0000 O   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  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  1  9  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
 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
 13 14  1  0  0  0  0
 10 11  1  0  0  0  0
 20 21  1  0  0  0  0
 10 20  1  0  0  0  0
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 23 24  1  0  0  0  0
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 28 29  2  0  0  0  0
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 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
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 23 34  1  0  0  0  0
M  END
>  <Mol_ID> (781)
781

>  <Formula> (781)
C26H35NO7

>  <MolWeight> (781)
473.5586

>  <Item Name> (781)
Alverine Citrate

>  <Catalog Number> (781)
S3054

>  <Synonyms> (781)
N/A

>  <Target> (781)
OX Receptor

>  <Form> (781)
Citrate

>  <URL> (781)
http://www.selleckchem.com/products/alverine-citrate.html

>  <CAS Number> (781)
5560-59-8

$$$$
Azelnidipine.cdx
csChFnd80/01151910432D

 43 47  0  0  0  0  0  0  0  0999 V2000
   10.2017    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4141    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6266    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6266    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.9893    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0514    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020    4.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2121    2.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.5899    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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  1  6  1  0  0  0  0
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  7  9  1  0  0  0  0
  2  7  1  0  0  0  0
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 10 12  1  0  0  0  0
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 15 19  1  0  0  0  0
  3 13  1  0  0  0  0
  5 22  1  0  0  0  0
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 12 24  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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 39 40  2  0  0  0  0
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 27 31  1  0  0  0  0
  9 29  1  0  0  0  0
M  END
>  <Mol_ID> (782)
782

>  <Formula> (782)
C33H34N4O6

>  <MolWeight> (782)
582.64626

>  <Item Name> (782)
Azelnidipine

>  <Catalog Number> (782)
S3053

>  <Synonyms> (782)
N/A

>  <Target> (782)
Calcium Channel

>  <Form> (782)
Free Base

>  <URL> (782)
http://www.selleckchem.com/products/azelnidipine.html

>  <CAS Number> (782)
123524-52-7

$$$$
Chlorhexidine Hydrochloride.cdx
csChFnd80/01151910432D

 36 35  0  0  0  0  0  0  0  0999 V2000
   15.2972    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5097    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7221    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9345    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1470    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5718    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9967    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2091    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4216    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.4216    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6340    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   29.8464   10.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.8723    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6599    0.0000    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  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
  1 15  2  0  0  0  0
  1 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 12 19  2  0  0  0  0
  3 20  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
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 25 26  1  0  0  0  0
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 29 30  2  0  0  0  0
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 31 34  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
>  <Mol_ID> (783)
783

>  <Formula> (783)
C22H32Cl4N10

>  <MolWeight> (783)
578.36848

>  <Item Name> (783)
Chlorhexidine HCl

>  <Catalog Number> (783)
S3067

>  <Synonyms> (783)
N/A

>  <Target> (783)
Antifection

>  <Form> (783)
Dihydrochlorid

>  <URL> (783)
http://www.selleckchem.com/products/chlorhexidine-hcl.html

>  <CAS Number> (783)
3697-42-5

$$$$
Diclofenac Diethylamine.cdx
csChFnd80/01151910432D

 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
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    2.4249    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3878    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4208    0.0000    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
  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  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
 15 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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (784)
784

>  <Formula> (784)
C18H22Cl2N2O2

>  <MolWeight> (784)
369.28548

>  <Item Name> (784)
Diclofenac Diethylamine

>  <Catalog Number> (784)
S3063

>  <Synonyms> (784)
N/A

>  <Target> (784)
COX

>  <Form> (784)
Diethylamine

>  <URL> (784)
http://www.selleckchem.com/products/diclofenac-diethylamine.html

>  <CAS Number> (784)
78213-16-8

$$$$
CATAFLAM (diclofenac potassium).cdx
csChFnd80/01151910432D

 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
    0.0000    4.8951    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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    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
    3.6373    6.9951    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2166    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7806    4.0785    0.0000 K   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
  4  7  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  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 17  1  0  0  0  0
 12 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (785)
785

>  <Formula> (785)
C14H10Cl2KNO2

>  <MolWeight> (785)
334.239

>  <Item Name> (785)
Diclofenac Potassium

>  <Catalog Number> (785)
S3062

>  <Synonyms> (785)
N/A

>  <Target> (785)
Immunology & Inflammation related

>  <Form> (785)
Potassium

>  <URL> (785)
http://www.selleckchem.com/products/diclofenac-potassium.html

>  <CAS Number> (785)
15307-81-0

$$$$
Inosine.cdx
csChFnd80/01151910432D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7495    3.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169    2.4602    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0495    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4495    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8822    2.4602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2295    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2696    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2901    2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3954    2.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5280    2.8810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    4.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6954    4.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2628    2.8810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7954    5.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    6.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6954    6.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9954    5.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1905    5.4249    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
  3  6  1  6  0  0  0
  4  7  1  6  0  0  0
  2  8  1  1  0  0  0
  8  9  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 10  1  0  0  0  0
  5 14  1  1  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  2  0  0  0  0
 18 13  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (786)
786

>  <Formula> (786)
C10H12N4O5

>  <MolWeight> (786)
268.22608

>  <Item Name> (786)
Inosine

>  <Catalog Number> (786)
S2442

>  <Synonyms> (786)
N/A

>  <Target> (786)
Others

>  <Form> (786)
Free Base

>  <URL> (786)
http://www.selleckchem.com/products/inosine.html

>  <CAS Number> (786)
58-63-9

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/01151910432D

 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
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    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
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    4.4366    7.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0055    6.1261    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
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2079    1.4477    0.0000 Cl  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
   13.5180    5.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7304    6.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7304    7.4078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9386    5.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9386    3.9199    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
  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
 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> (787)
787

>  <Formula> (787)
C28H37ClO7

>  <MolWeight> (787)
521.04218

>  <Item Name> (787)
Beclomethasone dipropionate 

>  <Catalog Number> (787)
S3078

>  <Synonyms> (787)
Beclometasone dipropionate

>  <Target> (787)
Glucocorticoid Receptor

>  <Form> (787)
Free Base

>  <URL> (787)
http://www.selleckchem.com/products/beclomethasone-dipropionate.html

>  <CAS Number> (787)
5534-09-8

$$$$
Pircetam.cdx
csChFnd80/01151910432D

 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> (788)
788

>  <Formula> (788)
C6H10N2O2

>  <MolWeight> (788)
142.1558

>  <Item Name> (788)
Piracetam

>  <Catalog Number> (788)
S3070

>  <Synonyms> (788)
N/A

>  <Target> (788)
GluR

>  <Form> (788)
Free Base

>  <URL> (788)
http://www.selleckchem.com/products/piracetam.html

>  <CAS Number> (788)
7491-74-9

$$$$
Vanillin.cdx
csChFnd80/01151910432D

 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> (789)
789

>  <Formula> (789)
C8H8O3

>  <MolWeight> (789)
152.14732

>  <Item Name> (789)
Vanillin 

>  <Catalog Number> (789)
S3071

>  <Synonyms> (789)
N/A

>  <Target> (789)
Others

>  <Form> (789)
Free Base

>  <URL> (789)
http://www.selleckchem.com/products/vanillin.html

>  <CAS Number> (789)
121-33-5

$$$$
Dexmedetomidine.cdx
csChFnd80/01151910432D

 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
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  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
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 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> (790)
790

>  <Formula> (790)
C13H16N2

>  <MolWeight> (790)
200.27954

>  <Item Name> (790)
Dexmedetomidine

>  <Catalog Number> (790)
S3075

>  <Synonyms> (790)
N/A

>  <Target> (790)
Adrenergic Receptor

>  <Form> (790)
Free Base

>  <URL> (790)
http://www.selleckchem.com/products/dexmedetomidine.html

>  <CAS Number> (790)
113775-47-6

$$$$
Foscarnet Sodium.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (791)
791

>  <Formula> (791)
CNa3O5P

>  <MolWeight> (791)
191.950771

>  <Item Name> (791)
Foscarnet Sodium

>  <Catalog Number> (791)
S3076

>  <Synonyms> (791)
N/A

>  <Target> (791)
Reverse Transcriptase

>  <Form> (791)
Sodium

>  <URL> (791)
http://www.selleckchem.com/products/foscarnet-sodium.html

>  <CAS Number> (791)
63585-09-1
63585-09-1

$$$$
atovaquone (atavaquone, Mepron).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (792)
792

>  <Formula> (792)
C22H19ClO3

>  <MolWeight> (792)
366.83746

>  <Item Name> (792)
Atovaquone (Atavaquone)

>  <Catalog Number> (792)
S3079

>  <Synonyms> (792)
N/A

>  <Target> (792)
Antifection

>  <Form> (792)
Free Base

>  <URL> (792)
http://www.selleckchem.com/products/atovaquone-atavaquone.html

>  <CAS Number> (792)
95233-18-4

$$$$
etravirine (TMC125).cdx
csChFnd80/01151910432D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (793)
793

>  <Formula> (793)
C20H15BrN6O

>  <MolWeight> (793)
435.2767

>  <Item Name> (793)
Etravirine (TMC125)

>  <Catalog Number> (793)
S3080

>  <Synonyms> (793)
N/A

>  <Target> (793)
Reverse Transcriptase

>  <Form> (793)
Free Base

>  <URL> (793)
http://www.selleckchem.com/products/etravirine-tmc125.html

>  <CAS Number> (793)
269055-15-4

$$$$
Camostat mesilate.cdx
csChFnd80/01151910432D

 34 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (794)
794

>  <Formula> (794)
C21H26N4O8S

>  <MolWeight> (794)
494.51814

>  <Item Name> (794)
Camostat Mesilate (FOY-305)

>  <Catalog Number> (794)
S2874

>  <Synonyms> (794)
N/A

>  <Target> (794)
HCV Protease

>  <Form> (794)
Mesilate

>  <URL> (794)
http://www.selleckchem.com/products/camostat-mesilate-foy-305.html

>  <CAS Number> (794)
59721-29-8

$$$$
Rupatadine fumarate.cdx
csChFnd80/01151910432D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (795)
795

>  <Formula> (795)
C30H30ClN3O4

>  <MolWeight> (795)
532.0299

>  <Item Name> (795)
Rupatadine Fumarate

>  <Catalog Number> (795)
S3052

>  <Synonyms> (795)
N/A

>  <Target> (795)
Histamine Receptor

>  <Form> (795)
Fumarate

>  <URL> (795)
http://www.selleckchem.com/products/rupatadine-fumarate.html

>  <CAS Number> (795)
182349-12-8

$$$$
Indacaterol Maleate.cdx
csChFnd80/01151910432D

 37 39  0  0  0  0  0  0  0  0999 V2000
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   11.2655    7.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0531    6.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0531    5.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655    4.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655    3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4779    2.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6904    3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6904    4.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4779    5.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655    8.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3289    5.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
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 28 29  1  0  0  0  0
 22 28  1  0  0  0  0
 16 18  1  0  0  0  0
 14 16  1  0  0  0  0
  6 13  1  0  0  0  0
 30 31  1  0  0  0  0
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 33 36  2  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <Mol_ID> (796)
796

>  <Formula> (796)
C28H32N2O7

>  <MolWeight> (796)
508.56288

>  <Item Name> (796)
Indacaterol Maleate

>  <Catalog Number> (796)
S3083

>  <Synonyms> (796)
N/A

>  <Target> (796)
Adrenergic Receptor

>  <Form> (796)
Maleate

>  <URL> (796)
http://www.selleckchem.com/products/indacaterol-maleate.html

>  <CAS Number> (796)
753498-25-8

$$$$
Betulinic acid.cdx
csChFnd80/01151910432D

 37 41  0  0  0  0  0  0  0  0999 V2000
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    9.7513    5.5461    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3134    5.5461    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8194    7.6016    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7513    4.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7715    6.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1051    5.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3134    4.1532    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1067    6.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2025    7.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8971    8.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250    3.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4730    3.8442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0811    6.1742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15 32  1  1  0  0  0
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 20 22  1  0  0  0  0
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 21 24  1  0  0  0  0
 21 31  1  1  0  0  0
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 25 36  1  0  0  0  0
 11 37  1  0  0  0  0
M  END
>  <Mol_ID> (797)
797

>  <Formula> (797)
C30H48O3

>  <MolWeight> (797)
456.70032

>  <Item Name> (797)
Betulinic acid

>  <Catalog Number> (797)
S3603

>  <Target> (797)
N/A

>  <Form> (797)
Free Base

>  <URL> (797)
http://www.selleckchem.com/products/betulinic-acid.html

>  <CAS Number> (797)
472-15-1

$$$$
Pirfenidone.cdx
csChFnd80/01151910432D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.1980    2.4190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8166    2.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1980    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3036    3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109    3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0145    2.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9943    4.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4190    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
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  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
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 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (798)
798

>  <Formula> (798)
C12H11NO

>  <MolWeight> (798)
185.22184

>  <Item Name> (798)
Pirfenidone

>  <Catalog Number> (798)
S2907

>  <Synonyms> (798)
N/A

>  <Target> (798)
TGF-beta/Smad

>  <Form> (798)
Free Base

>  <URL> (798)
http://www.selleckchem.com/products/pirfenidone.html

>  <CAS Number> (798)
53179-13-8

$$$$
Tempol.cdx
csChFnd80/01151910432D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.1051    1.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    2.5977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5017    1.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7860    0.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3547    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.5977    0.0000 O   0  4  0  0  0  0  0  0  0  0  0  0
    4.2034    2.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5017    3.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3547    5.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7860    4.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    2.5977    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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  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  3  8  1  0  0  0  0
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M  RAD  1   7   2
M  END
>  <Mol_ID> (799)
799

>  <Formula> (799)
C9H18NO2 *

>  <MolWeight> (799)
172.24472

>  <Item Name> (799)
Tempol (4-Hydroxy-TEMPO)

>  <Catalog Number> (799)
S2910

>  <Synonyms> (799)
N/A

>  <Target> (799)
Immunology & Inflammation related

>  <Form> (799)
Free Base

>  <URL> (799)
http://www.selleckchem.com/products/tempol-4-hydroxy-tempo.html

>  <CAS Number> (799)
2226-96-2

$$$$
SB 271046.cdx
csChFnd80/01151910432D

 29 32  0  0  0  0  0  0  0  0999 V2000
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5-HT Receptor

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Free Base

>  <URL> (800)
http://www.selleckchem.com/products/sb-271046.html

>  <CAS Number> (800)
209481-20-9

$$$$
SB 742457.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (801)
801

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SB-742457

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S2894

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GSK-742457

>  <Target> (801)
5-HT Receptor

>  <Form> (801)
Free Base

>  <URL> (801)
http://www.selleckchem.com/products/sb-742457.html

>  <CAS Number> (801)
607742-69-8

$$$$
S-Ruxolitinib.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (802)
802

>  <Formula> (802)
C17H18N6

>  <MolWeight> (802)
306.36502

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S-Ruxolitinib

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S2902

>  <Synonyms> (802)
N/A

>  <Target> (802)
JAK

>  <Form> (802)
Free Base

>  <URL> (802)
http://www.selleckchem.com/products/s-ruxolitinib.html

>  <CAS Number> (802)
941685-37-6

$$$$
Lumiracoxib.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (803)
803

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C15H13ClFNO2

>  <MolWeight> (803)
293.7206232

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Lumiracoxib (COX-189)

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S2903

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N/A

>  <Target> (803)
COX

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Free Base

>  <URL> (803)
http://www.selleckchem.com/products/lumiracoxib-cox-189.html

>  <CAS Number> (803)
220991-20-8

$$$$
ABILIFY (aripiprazole).cdx
csChFnd80/01151910432D

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804

>  <Formula> (804)
C23H27Cl2N3O2

>  <MolWeight> (804)
448.38538

>  <Item Name> (804)
Aripiprazole (Abilify)

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S1975

>  <Synonyms> (804)
N/A

>  <Target> (804)
5-HT Receptor

>  <Form> (804)
Free Base

>  <URL> (804)
http://www.selleckchem.com/products/aripiprazole-abilify.html

>  <CAS Number> (804)
129722-12-9

$$$$
Duloxetine hydrochloride.cdx
csChFnd80/01151910432D

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    3.5702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7827    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9951    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1326    2.0878    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    2.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    4.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0654    1.7378    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
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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
  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
  3 11  1  0  0  0  0
 12 11  1  1  0  0  0
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 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 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (805)
805

>  <Formula> (805)
C18H20ClNOS

>  <MolWeight> (805)
333.8755

>  <Item Name> (805)
Duloxetine HCl (Cymbalta)

>  <Catalog Number> (805)
S2084

>  <Synonyms> (805)
N/A

>  <Target> (805)
5-HT Receptor

>  <Form> (805)
HCl

>  <URL> (805)
http://www.selleckchem.com/products/duloxetine-hcl-cymbalta.html

>  <CAS Number> (805)
136434-34-9

$$$$
Almotriptan malate.cdx
csChFnd80/01151910432D

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.8404    4.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    3.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    2.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    3.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    4.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    5.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    5.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.5014    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    5.1990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7240    3.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1240    3.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    6.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5968    2.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4197    3.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5968    4.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7966    2.0951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.5841    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3759    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7966    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0048    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0048    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2130    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0048    5.5830    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
  8 10  2  0  0  0  0
  8 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  9  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  5  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
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (806)
806

>  <Formula> (806)
C21H31N3O7S

>  <MolWeight> (806)
469.55174

>  <Item Name> (806)
Almotriptan malate (Axert)

>  <Catalog Number> (806)
S2096

>  <Synonyms> (806)
N/A

>  <Target> (806)
5-HT Receptor

>  <Form> (806)
Malate

>  <URL> (806)
http://www.selleckchem.com/products/almotriptan-malate-axert.html

>  <CAS Number> (806)
181183-52-8

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/01151910432D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.2123    4.9146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2123    3.5146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4248    2.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6372    3.5146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6372    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    3.5146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    2.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7875    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    7.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    3.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    1.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    7.7122    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4617    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
  1  7  1  6  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  1  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
 17 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
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (807)
807

>  <Formula> (807)
C19H21ClFNO3

>  <MolWeight> (807)
365.8263432

>  <Item Name> (807)
Paroxetine HCl

>  <Catalog Number> (807)
S3005

>  <Synonyms> (807)
N/A

>  <Target> (807)
5-HT Receptor

>  <Form> (807)
Hydrochloride

>  <URL> (807)
http://www.selleckchem.com/products/paroxetine-hcl.html

>  <CAS Number> (807)
78246-49-8

$$$$
Ivabradine hydrocloride.cdx
csChFnd80/01151910432D

 35 37  0  0  0  0  0  0  0  0999 V2000
    8.0762   17.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0762   15.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2886   14.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5011   15.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5011   17.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2886   17.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2886   19.1223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7093   17.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   19.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9175   17.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3762   14.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  1  0  0  0  0
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 12  3  1  0  0  0  0
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 15 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 19  1  0  0  0  0
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 26 27  2  0  0  0  0
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 29 23  1  0  0  0  0
 27 30  1  0  0  0  0
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 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 25 34  2  0  0  0  0
M  END
>  <Mol_ID> (808)
808

>  <Formula> (808)
C27H37ClN2O5

>  <MolWeight> (808)
505.04608

>  <Item Name> (808)
Ivabradine HCl (Procoralan)

>  <Catalog Number> (808)
S2086

>  <Synonyms> (808)
N/A

>  <Target> (808)
Adrenergic Receptor

>  <Form> (808)
HCl

>  <URL> (808)
http://www.selleckchem.com/products/ivabradine-hcl-procoralan.html

>  <CAS Number> (808)
148849-67-6

$$$$
Betaxolol.cdx
csChFnd80/01151910432D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.5076    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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> (809)
809

>  <Formula> (809)
C18H29NO3

>  <MolWeight> (809)
307.42776

>  <Item Name> (809)
Betaxolol (Betoptic)

>  <Catalog Number> (809)
S2091

>  <Synonyms> (809)
N/A

>  <Target> (809)
Adrenergic Receptor

>  <Form> (809)
Free Base

>  <URL> (809)
http://www.selleckchem.com/products/betaxolol-betoptic.html

>  <CAS Number> (809)
659-18-7

$$$$
Detomidine hydrochloride.cdx
csChFnd80/01151910432D

 15 15  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
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    5.8446    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2157    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <Mol_ID> (810)
810

>  <Formula> (810)
C12H15ClN2

>  <MolWeight> (810)
222.7139

>  <Item Name> (810)
Detomidine HCl

>  <Catalog Number> (810)
S2092

>  <Synonyms> (810)
N/A

>  <Target> (810)
Adrenergic Receptor

>  <Form> (810)
HCl

>  <URL> (810)
http://www.selleckchem.com/products/detomidine-hcl.html

>  <CAS Number> (810)
90038-01-0

$$$$
Cisatracurium besylate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (811)
811

>  <Formula> (811)
C65H82N2O18S2

>  <MolWeight> (811)
1243.47918

>  <Item Name> (811)
Cisatracurium besylate (Nimbex)

>  <Catalog Number> (811)
S2113

>  <Synonyms> (811)
N/A

>  <Target> (811)
Adrenergic Receptor

>  <Form> (811)
Besylate

>  <URL> (811)
http://www.selleckchem.com/products/cisatracurium-besylate-nimbex.html

>  <CAS Number> (811)
96946-42-8

$$$$
Levosulpiride.cdx
csChFnd80/01151910432D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (812)
812

>  <Formula> (812)
C15H23N3O4S

>  <MolWeight> (812)
341.42582

>  <Item Name> (812)
Levosulpiride (Levogastrol)

>  <Catalog Number> (812)
S2104

>  <Synonyms> (812)
N/A

>  <Target> (812)
Dopamine Receptor   

>  <Form> (812)
Free Base

>  <URL> (812)
http://www.selleckchem.com/products/levosulpiride-levogastrol.html

>  <CAS Number> (812)
23672-07-3

$$$$
Trimebutine.cdx
csChFnd80/01151910432D

 28 29  0  0  0  0  0  0  0  0999 V2000
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 27 28  2  0  0  0  0
 28 18  1  0  0  0  0
M  END
>  <Mol_ID> (813)
813

>  <Formula> (813)
C22H29NO5

>  <MolWeight> (813)
387.46936

>  <Item Name> (813)
Trimebutine

>  <Catalog Number> (813)
S2085

>  <Synonyms> (813)
N/A

>  <Target> (813)
Opioid Receptor

>  <Form> (813)
Free Base

>  <URL> (813)
http://www.selleckchem.com/products/trimebutine.html

>  <CAS Number> (813)
39133-31-8

$$$$
Naltrexone hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (814)
814

>  <Formula> (814)
C20H24ClNO4

>  <MolWeight> (814)
377.86186

>  <Item Name> (814)
Naltrexone HCl

>  <Catalog Number> (814)
S2103

>  <Synonyms> (814)
N/A

>  <Target> (814)
Opioid Receptor

>  <Form> (814)
HCl

>  <URL> (814)
http://www.selleckchem.com/products/naltrexone-hcl.html

>  <CAS Number> (814)
16676-29-2

$$$$
Dapivirine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (815)
815

>  <Formula> (815)
C20H19N5

>  <MolWeight> (815)
329.39836

>  <Item Name> (815)
Dapivirine (TMC120)

>  <Catalog Number> (815)
S2914

>  <Synonyms> (815)
N/A

>  <Target> (815)
Reverse Transcriptase

>  <Form> (815)
Free Base

>  <URL> (815)
http://www.selleckchem.com/products/dapivirine.html

>  <CAS Number> (815)
244767-67-7

$$$$
icotinib.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (816)
816

>  <Formula> (816)
C22H21N3O4

>  <MolWeight> (816)
391.41984

>  <Item Name> (816)
Icotinib

>  <Catalog Number> (816)
S2922

>  <Synonyms> (816)
BPI-2009H 

>  <Target> (816)
EGFR

>  <Form> (816)
Free Base

>  <URL> (816)
http://www.selleckchem.com/products/icotinib.html

>  <CAS Number> (816)
610798-31-7

$$$$
TAK 715.cdx
csChFnd80/01151910432D

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    7.8624    2.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9504    3.3199    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
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 19 20  2  0  0  0  0
 16 20  1  0  0  0  0
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 12 20  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (817)
817

>  <Formula> (817)
C24H21N3OS

>  <MolWeight> (817)
399.50804

>  <Item Name> (817)
TAK 715

>  <Catalog Number> (817)
S2928

>  <Synonyms> (817)
N/A 

>  <Target> (817)
p38 MAPK

>  <Form> (817)
Free Base

>  <URL> (817)
http://www.selleckchem.com/products/tak-715.html

>  <CAS Number> (817)
303162-79-0

$$$$
Melatonin.cdx
csChFnd80/01151910432D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.0927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5621    2.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7085    4.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4295    4.6735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    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
    6.5989    1.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3262    0.7734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5795    3.0716    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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  5  7  1  0  0  0  0
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 15 16  2  0  0  0  0
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M  END
>  <Mol_ID> (818)
818

>  <Formula> (818)
C13H16N2O2

>  <MolWeight> (818)
232.27834

>  <Item Name> (818)
Melatonin

>  <Catalog Number> (818)
S1204

>  <Synonyms> (818)
Melatonex

>  <Target> (818)
MT Receptor

>  <Form> (818)
Free Base

>  <URL> (818)
http://www.selleckchem.com/products/Melatonin.html

>  <CAS Number> (818)
73-31-4

$$$$
Felbamate.cdx
csChFnd80/01151910432D

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    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
    6.0664    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9098    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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  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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 10 12  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (819)
819

>  <Formula> (819)
C11H14N2O4

>  <MolWeight> (819)
238.23986

>  <Item Name> (819)
Felbamate

>  <Catalog Number> (819)
S1330

>  <Synonyms> (819)
Felbatol

>  <Target> (819)
NMDAR

>  <Form> (819)
Free Base

>  <URL> (819)
http://www.selleckchem.com/products/Felbamate.html

>  <CAS Number> (819)
25451-15-4

$$$$
Fluvoxamine maleate.cdx
csChFnd80/01151910432D

 30 29  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
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    4.6926    2.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3290    4.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9720    4.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9786    3.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7146    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    2.7046    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3190    5.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6713    4.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6612    5.9466    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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M  END
>  <Mol_ID> (820)
820

>  <Formula> (820)
C19H25F3N2O6

>  <MolWeight> (820)
434.4068096

>  <Item Name> (820)
Fluvoxamine maleate

>  <Catalog Number> (820)
S1336

>  <Synonyms> (820)
Luvox

>  <Target> (820)
5-HT Receptor

>  <Form> (820)
Maleate

>  <URL> (820)
http://www.selleckchem.com/products/Fluvoxamine-maleate.html

>  <CAS Number> (820)
61718-82-9

$$$$
Oxcarbazepine.cdx
csChFnd80/01151910432D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.2370    2.4097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    2.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    3.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    4.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    5.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    4.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    3.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    5.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    5.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    3.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1484    1.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5328    0.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4057    1.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8942    3.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2891    5.7390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316    1.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175    0.0000    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  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  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
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 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
  4 16  2  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (821)
821

>  <Formula> (821)
C15H12N2O2

>  <MolWeight> (821)
252.26798

>  <Item Name> (821)
Oxcarbazepine

>  <Catalog Number> (821)
S1391

>  <Synonyms> (821)
Trileptal

>  <Target> (821)
Sodium Channel

>  <Form> (821)
Free Base

>  <URL> (821)
http://www.selleckchem.com/products/Oxcarbazepine.html

>  <CAS Number> (821)
28721-07-5

$$$$
NAQUIVAL (trichlormethiazide).cdx
csChFnd80/01151910432D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.5914    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5914    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8039    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0163    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0163    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8039    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2287    1.3976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4412    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4412    3.4976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2287    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3832    4.1951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3832    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2388    0.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2187    0.4076    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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  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
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  7 16  2  0  0  0  0
  7 17  2  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (822)
822

>  <Formula> (822)
C8H8Cl3N3O4S2

>  <MolWeight> (822)
380.65582

>  <Item Name> (822)
Trichlormethiazide (Achletin)

>  <Catalog Number> (822)
S1667

>  <Synonyms> (822)
Achletin, Diu-Hydrin, Triflumen

>  <Target> (822)
Others

>  <Form> (822)
Free Base

>  <URL> (822)
http://www.selleckchem.com/products/Trichlormethiazide(Achletin).html

>  <CAS Number> (822)
133-67-5

$$$$
PROFENAL (suprofen).cdx
csChFnd80/01151910432D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.6322    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6818    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 13  2  0  0  0  0
M  END
>  <Mol_ID> (823)
823

>  <Formula> (823)
C14H12O3S

>  <MolWeight> (823)
260.30828

>  <Item Name> (823)
Suprofen (Profenal)

>  <Catalog Number> (823)
S1761

>  <Synonyms> (823)
Profenal, Topalgic, Suprol

>  <Target> (823)
COX

>  <Form> (823)
Free Base

>  <URL> (823)
http://www.selleckchem.com/products/Suprofen(Profenal).html

>  <CAS Number> (823)
40828-46-4

$$$$
Pranlukast.cdx
csChFnd80/01151910432D

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  2  3  1  0  0  0  0
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 10  2  1  0  0  0  0
  7 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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  4 17  1  0  0  0  0
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 25 19  1  0  0  0  0
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M  END
>  <Mol_ID> (824)
824

>  <Formula> (824)
C27H23N5O4

>  <MolWeight> (824)
481.50262

>  <Item Name> (824)
Pranlukast

>  <Catalog Number> (824)
S1829

>  <Synonyms> (824)
N/A

>  <Target> (824)
Others

>  <Form> (824)
Free Base

>  <URL> (824)
http://www.selleckchem.com/products/pranlukast.html

>  <CAS Number> (824)
103177-37-3

$$$$
Oxfendazole.cdx
csChFnd80/01151910432D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6331    1.3951    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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 14  2  1  0  0  0  0
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M  END
>  <Mol_ID> (825)
825

>  <Formula> (825)
C15H13N3O3S

>  <MolWeight> (825)
315.34702

>  <Item Name> (825)
Oxfendazole

>  <Catalog Number> (825)
S1830

>  <Synonyms> (825)
N/A

>  <Target> (825)
Antifection

>  <Form> (825)
Free Base

>  <URL> (825)
http://www.selleckchem.com/products/oxfendazole.html

>  <CAS Number> (825)
53716-50-0

$$$$
Tizanidine hydrochloride.cdx
csChFnd80/01151910432D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.2115    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> (826)
826

>  <Formula> (826)
C9H9Cl2N5S

>  <MolWeight> (826)
290.17226

>  <Item Name> (826)
Tizanidine HCl

>  <Catalog Number> (826)
S1437

>  <Synonyms> (826)
Zanaflex, Sirdalud

>  <Target> (826)
Adrenergic Receptor

>  <Form> (826)
Hydrochloride

>  <URL> (826)
http://www.selleckchem.com/products/Tizanidine-hydrochloride.html

>  <CAS Number> (826)
64461-82-1

$$$$
Calcifediol.cdx
csChFnd80/01151910432D

 31 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  2  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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  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
  2  7  1  6  0  0  0
  5  8  2  0  0  0  0
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 16 11  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 13  1  0  0  0  0
 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
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 12 29  1  6  0  0  0
 13 30  1  1  0  0  0
 19 31  1  6  0  0  0
M  END
>  <Mol_ID> (827)
827

>  <Formula> (827)
C27H44O2

>  <MolWeight> (827)
400.63706

>  <Item Name> (827)
Calcifediol

>  <Catalog Number> (827)
S1469

>  <Synonyms> (827)
Calcidiol, Didrogyl, Hidroferol

>  <Target> (827)
Vitamin

>  <Form> (827)
Free Base

>  <URL> (827)
http://www.selleckchem.com/products/Calcifediol.html

>  <CAS Number> (827)
19356-17-3

$$$$
Erythromycin ethylsuccinate.cdx
csChFnd80/01151910432D

 60 62  0  0  0  0  0  0  0  0999 V2000
    3.6459   10.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (828)
828

>  <Formula> (828)
C43H75NO16

>  <MolWeight> (828)
862.0527

>  <Item Name> (828)
Erythromycin Ethylsuccinate

>  <Catalog Number> (828)
S4060

>  <Synonyms> (828)
N/A

>  <Target> (828)
Antifection

>  <Form> (828)
Free Base

>  <URL> (828)
http://www.selleckchem.com/products/erythromycin-ethylsuccinate.html

>  <CAS Number> (828)
1264-62-6

$$$$
Linezolid.cdx
csChFnd80/01151910432D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (829)
829

>  <Formula> (829)
C23H23N7O5

>  <MolWeight> (829)
477.47262

>  <Item Name> (829)
Pralatrexate(Folotyn)

>  <Catalog Number> (829)
S1497

>  <Synonyms> (829)
Folotyn

>  <Target> (829)
DHFR

>  <Form> (829)
Free Base

>  <URL> (829)
http://www.selleckchem.com/products/Pralatrexate(Folotyn).html

>  <CAS Number> (829)
146464-95-1

$$$$
CAVERJECT (alprostadil).cdx
csChFnd80/01151910432D

 25 25  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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 21  2  1  0  0  0  0
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 18 25  2  0  0  0  0
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M  END
>  <Mol_ID> (830)
830

>  <Formula> (830)
C20H34O5

>  <MolWeight> (830)
354.48096

>  <Item Name> (830)
Alprostadil(Caverject)

>  <Catalog Number> (830)
S1508

>  <Synonyms> (830)
Prostaglandin E1, Edex, Muse, Liprostin

>  <Target> (830)
Immunology & Inflammation related

>  <Form> (830)
Free Base

>  <URL> (830)
http://www.selleckchem.com/products/Alprostadil(Caverject).html

>  <CAS Number> (830)
745-65-3

$$$$
Roxatidine acetate hydrochloride.cdx
csChFnd80/01151910432D

 26 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (831)
831

>  <Formula> (831)
C19H29ClN2O4

>  <MolWeight> (831)
384.89756

>  <Item Name> (831)
Roxatidine acetate HCl

>  <Catalog Number> (831)
S1880

>  <Synonyms> (831)
N/A

>  <Target> (831)
Histamine Receptor

>  <Form> (831)
Hydrochloride

>  <URL> (831)
http://www.selleckchem.com/products/roxatidine-acetate-hcl.html

>  <CAS Number> (831)
93793-83-0

$$$$
Protionamide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (832)
832

>  <Formula> (832)
C9H12N2S

>  <MolWeight> (832)
180.26998

>  <Item Name> (832)
Protionamide (Prothionamide)

>  <Catalog Number> (832)
S1881

>  <Synonyms> (832)
N/A

>  <Target> (832)
Antifection

>  <Form> (832)
Free Base

>  <URL> (832)
http://www.selleckchem.com/products/protionamide-prothionamide.html

>  <CAS Number> (832)
14222-60-7

$$$$
MICROSUL (sulfamethizole).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (833)
833

>  <Formula> (833)
C9H10N4O2S2

>  <MolWeight> (833)
270.3313

>  <Item Name> (833)
Sulfamethizole (Proklar)

>  <Catalog Number> (833)
S1957

>  <Synonyms> (833)
Proklar

>  <Target> (833)
Antifection

>  <Form> (833)
Free Base

>  <URL> (833)
http://www.selleckchem.com/products/Sulfamethizole(Proklar).html

>  <CAS Number> (833)
144-82-1

$$$$
MYDRIACYL (tropicamide).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (834)
834

>  <Formula> (834)
C17H20N2O2

>  <MolWeight> (834)
284.3529

>  <Item Name> (834)
Tropicamide

>  <Catalog Number> (834)
S1913

>  <Synonyms> (834)
N/A

>  <Target> (834)
AChR

>  <Form> (834)
Free Base

>  <URL> (834)
http://www.selleckchem.com/products/tropicamide.html

>  <CAS Number> (834)
1508-75-4

$$$$
Sulbactam.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (835)
835

>  <Formula> (835)
C8H11NO5S

>  <MolWeight> (835)
233.24164

>  <Item Name> (835)
Sulbactam

>  <Catalog Number> (835)
S1958

>  <Synonyms> (835)
N/A

>  <Target> (835)
Antifection

>  <Form> (835)
Free Base

>  <URL> (835)
http://www.selleckchem.com/products/sulbactam.html

>  <CAS Number> (835)
68373-14-8

$$$$
Pranoprofen.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (836)
836

>  <Formula> (836)
C15H13NO3

>  <MolWeight> (836)
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>  <Item Name> (836)
Pranoprofen

>  <Catalog Number> (836)
S1960

>  <Synonyms> (836)
N/A

>  <Target> (836)
COX

>  <Form> (836)
Free Base

>  <URL> (836)
http://www.selleckchem.com/products/pranoprofen.html

>  <CAS Number> (836)
52549-17-4

$$$$
Rimantadine.cdx
csChFnd80/01151910432D

 13 15  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (837)
837

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C12H21N

>  <MolWeight> (837)
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>  <Item Name> (837)
Rimantadine (Flumadine)

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S1964

>  <Synonyms> (837)
N/A

>  <Target> (837)
Antifection

>  <Form> (837)
Free Base

>  <URL> (837)
http://www.selleckchem.com/products/rimantadine-flumadine.html

>  <CAS Number> (837)
13392-28-4

$$$$
Meglumine.cdx
csChFnd80/01151910432D

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 C   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  0  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  1  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4913    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    1.4000    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
    6.0664    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
    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  6  0  0  0
  6 11  1  6  0  0  0
  5 12  1  6  0  0  0
  7 13  1  1  0  0  0
M  END
>  <Mol_ID> (838)
838

>  <Formula> (838)
C7H17NO5

>  <MolWeight> (838)
195.21358

>  <Item Name> (838)
Meglumine

>  <Catalog Number> (838)
S1974

>  <Synonyms> (838)
N/A

>  <Target> (838)
Others

>  <Form> (838)
Free Base

>  <URL> (838)
http://www.selleckchem.com/products/meglumine.html

>  <CAS Number> (838)
6284-40-8

$$$$
Diclazuril.cdx
csChFnd80/01151910432D

 26 28  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 Cl  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
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    4.8455    4.8976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.9035    0.0000    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
  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
  2 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  3  0  0  0  0
 14 18  1  0  0  0  0
 12 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
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 24 19  1  0  0  0  0
 24 25  2  0  0  0  0
 22 26  2  0  0  0  0
M  END
>  <Mol_ID> (839)
839

>  <Formula> (839)
C17H9Cl3N4O2

>  <MolWeight> (839)
407.63796

>  <Item Name> (839)
Diclazuril

>  <Catalog Number> (839)
S2028

>  <Synonyms> (839)
N/A

>  <Target> (839)
Antifection

>  <Form> (839)
Free Base

>  <URL> (839)
http://www.selleckchem.com/products/diclazuril.html

>  <CAS Number> (839)
101831-37-2

$$$$
Flunarizine dihydrochloride.cdx
csChFnd80/01151910432D

 32 33  0  0  0  0  0  0  0  0999 V2000
   10.1504    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1504    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3629    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5753    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5753    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3629    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5711    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5711    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9960    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9960    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2042    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4166    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4166    7.6879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2042    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.0413    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2495    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7835    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   22.2495    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4620    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6744    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6744    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4620    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1631    4.1940    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.7631    4.1940    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
  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
  8 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  8  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
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
 12 25  1  0  0  0  0
 23 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 23  1  0  0  0  0
M  END
>  <Mol_ID> (840)
840

>  <Formula> (840)
C26H28Cl2F2N2

>  <MolWeight> (840)
477.4167264

>  <Item Name> (840)
Flunarizine 2HCl

>  <Catalog Number> (840)
S2030

>  <Synonyms> (840)
N/A

>  <Target> (840)
Calcium Channel

>  <Form> (840)
2HCl

>  <URL> (840)
http://www.selleckchem.com/products/flunarizine-dihydrochloride.html

>  <CAS Number> (840)
30484-77-6

$$$$
Fenticonazole nitrate.cdx
csChFnd80/01151910432D

 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
    6.0538    5.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.8343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    5.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6827    7.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    7.0270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    7.7246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5240    4.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28  7  1  0  0  0  0
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M  END
>  <Mol_ID> (841)
841

>  <Formula> (841)
C24H21Cl2N3O4S

>  <MolWeight> (841)
518.41224

>  <Item Name> (841)
Fenticonazole nitrate

>  <Catalog Number> (841)
S2031

>  <Synonyms> (841)
N/A

>  <Target> (841)
Antifection

>  <Form> (841)
Nitrate

>  <URL> (841)
http://www.selleckchem.com/products/fenticonazole-nitrate.html

>  <CAS Number> (841)
73151-29-8

$$$$
Rebamipide.cdx
csChFnd80/01151910432D

 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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 10 11  2  0  0  0  0
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 21 22  1  0  0  0  0
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 25  1  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (842)
842

>  <Formula> (842)
C19H15ClN2O4

>  <MolWeight> (842)
370.7864

>  <Item Name> (842)
Rebamipide

>  <Catalog Number> (842)
S2032

>  <Synonyms> (842)
N/A

>  <Target> (842)
Others

>  <Form> (842)
Free Base

>  <URL> (842)
http://www.selleckchem.com/products/rebamipide.html

>  <CAS Number> (842)
90098-04-7

$$$$
Bromhexine hydrochloride.cdx
csChFnd80/01151910432D

 19 19  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    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 N   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
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 10  5  1  0  0  0  0
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 16 11  1  0  0  0  0
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  1 18  1  0  0  0  0
M  END
>  <Mol_ID> (843)
843

>  <Formula> (843)
C14H21Br2ClN2

>  <MolWeight> (843)
412.59094

>  <Item Name> (843)
Bromhexine HCl

>  <Catalog Number> (843)
S2060

>  <Synonyms> (843)
N/A

>  <Target> (843)
Others

>  <Form> (843)
HCl

>  <URL> (843)
http://www.selleckchem.com/products/bromhexine-hydrochloride.html

>  <CAS Number> (843)
611-75-6

$$$$
ADENOSINE (adenosine).cdx
csChFnd80/01151910432D

 30 32  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
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    4.8329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    2.4122    0.0024    0.0000 C   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
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    2.4165    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    9.0879    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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  5  6  1  0  0  0  0
  6  1  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
  2 11  1  6  0  0  0
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  5 13  1  1  0  0  0
 10 14  1  1  0  0  0
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 21 22  1  0  0  0  0
 17 23  1  0  0  0  0
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 20 30  1  1  0  0  0
 17 16  1  6  0  0  0
M  END
>  <Mol_ID> (844)
844

>  <Formula> (844)
C24H36O5

>  <MolWeight> (844)
404.53964

>  <Item Name> (844)
Lovastatin (Mevacor)

>  <Catalog Number> (844)
S2061

>  <Synonyms> (844)
N/A

>  <Target> (844)
HMG-CoA Reductase

>  <Form> (844)
Free Base

>  <URL> (844)
http://www.selleckchem.com/products/lovastatin-mevacor.html

>  <CAS Number> (844)
75330-75-5

$$$$
Tiopronin.cdx
csChFnd80/01151910432D

 10  9  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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    6.0622    1.4000    0.0000 C   0  0  3  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    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
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  7 10  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (845)
845

>  <Formula> (845)
C5H9NO3S

>  <MolWeight> (845)
163.19486

>  <Item Name> (845)
Tiopronin (Thiola)

>  <Catalog Number> (845)
S2062

>  <Synonyms> (845)
N/A

>  <Target> (845)
ROS

>  <Form> (845)
Free Base

>  <URL> (845)
http://www.selleckchem.com/products/tiopronin-thiola.html

>  <CAS Number> (845)
1953-02-2

$$$$
Balofloxacin.cdx
csChFnd80/01151910432D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.8413    2.6076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (846)
846

>  <Formula> (846)
C20H24FN3O4

>  <MolWeight> (846)
389.4206632

>  <Item Name> (846)
Balofloxacin

>  <Catalog Number> (846)
S2064

>  <Synonyms> (846)
N/A

>  <Target> (846)
Topoisomerase

>  <Form> (846)
Free Base

>  <URL> (846)
http://www.selleckchem.com/products/balofloxacin.html

>  <CAS Number> (846)
127294-70-6

$$$$
Lafutidine.cdx
csChFnd80/01151910432D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
M  END
>  <Mol_ID> (847)
847

>  <Formula> (847)
C22H29N3O4S

>  <MolWeight> (847)
431.54836

>  <Item Name> (847)
Lafutidine

>  <Catalog Number> (847)
S2065

>  <Synonyms> (847)
N/A

>  <Target> (847)
Histamine Receptor

>  <Form> (847)
Free Base

>  <URL> (847)
http://www.selleckchem.com/products/lafutidine.html

>  <CAS Number> (847)
118288-08-7

$$$$
Moxonidine.cdx
csChFnd80/01151910432D

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    6.2001    2.1028    0.0000 N   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
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  6 16  1  0  0  0  0
M  END
>  <Mol_ID> (848)
848

>  <Formula> (848)
C9H12ClN5O

>  <MolWeight> (848)
241.67748

>  <Item Name> (848)
Moxonidine

>  <Catalog Number> (848)
S2066

>  <Synonyms> (848)
N/A

>  <Target> (848)
Others

>  <Form> (848)
Free Base

>  <URL> (848)
http://www.selleckchem.com/products/moxonidine.html

>  <CAS Number> (848)
75438-57-2

$$$$
Argatroban.cdx
csChFnd80/01151910432D

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8371    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4618    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6700    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3031    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    9.0879    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
  2  4  2  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
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  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
 13 14  1  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
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 19  1  0  0  0  0
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 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
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 16 32  1  1  0  0  0
 14 33  1  6  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
  8 36  1  6  0  0  0
M  END
>  <Mol_ID> (849)
849

>  <Formula> (849)
C23H36N6O5S

>  <MolWeight> (849)
508.63414

>  <Item Name> (849)
Argatroban

>  <Catalog Number> (849)
S2069

>  <Synonyms> (849)
N/A

>  <Target> (849)
Thrombin

>  <Form> (849)
Free Base

>  <URL> (849)
http://www.selleckchem.com/products/argatroban.html

>  <CAS Number> (849)
74863-84-6

$$$$
Mecarbinate.cdx
csChFnd80/01151910432D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    5.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    3.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    4.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    5.5714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    6.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    4.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    1.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5438    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
  2 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (850)
850

>  <Formula> (850)
C13H15NO3

>  <MolWeight> (850)
233.2631

>  <Item Name> (850)
Mecarbinate

>  <Catalog Number> (850)
S2074

>  <Synonyms> (850)
N/A

>  <Target> (850)
Others

>  <Form> (850)
Free Base

>  <URL> (850)
http://www.selleckchem.com/products/mecarbinate.html

>  <CAS Number> (850)
15574-49-9

$$$$
Rosiglitazone hydrochloride.cdx
csChFnd80/01151910432D

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.4017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
  7 12  1  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
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 17 11  1  0  0  0  0
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 23 24  2  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (851)
851

>  <Formula> (851)
C18H20ClN3O3S

>  <MolWeight> (851)
393.8877

>  <Item Name> (851)
Rosiglitazone HCl

>  <Catalog Number> (851)
S2075

>  <Synonyms> (851)
N/A

>  <Target> (851)
PPAR

>  <Form> (851)
HCl

>  <URL> (851)
http://www.selleckchem.com/products/rosiglitazone-hydrochloride.html

>  <CAS Number> (851)
302543-62-0

$$$$
Atorvastatin calcium.cdx
csChFnd80/01151910432D

 83 88  0  0  0  0  0  0  0  0999 V2000
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   18.7029    6.7613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   19.5719    9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6598    9.9061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4408   11.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5288   12.1698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.3098   13.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3978   14.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1788   15.8163    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   18.7762    5.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1068    3.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9503    4.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7546    3.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (852)
852

>  <Formula> (852)
C66H68CaF2N4O10

>  <MolWeight> (852)
1155.3417264

>  <Item Name> (852)
Atorvastatin calcium (Lipitor)

>  <Catalog Number> (852)
S2077

>  <Synonyms> (852)
N/A

>  <Target> (852)
HMG-CoA Reductase

>  <Form> (852)
Calcium 

>  <URL> (852)
http://www.selleckchem.com/products/atorvastatin-calcium-lipitor.html

>  <CAS Number> (852)
134523-03-8

$$$$
Famotidine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (853)
853

>  <Formula> (853)
C8H15N7O2S3

>  <MolWeight> (853)
337.4454

>  <Item Name> (853)
Famotidine (Pepcid)

>  <Catalog Number> (853)
S2078

>  <Synonyms> (853)
N/A

>  <Target> (853)
Histamine Receptor

>  <Form> (853)
Free Base

>  <URL> (853)
http://www.selleckchem.com/products/famotidine-pepcid.html

>  <CAS Number> (853)
76824-35-6

$$$$
Moexipril hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (854)
854

>  <Formula> (854)
C27H35ClN2O7

>  <MolWeight> (854)
535.029

>  <Item Name> (854)
Moexipril HCl

>  <Catalog Number> (854)
S2079

>  <Synonyms> (854)
N/A

>  <Target> (854)
RAAS

>  <Form> (854)
Hydrochloride

>  <URL> (854)
http://www.selleckchem.com/products/moexipril-hydrochloride.html

>  <CAS Number> (854)
82586-52-5

$$$$
Cleviprex.cdx
csChFnd80/01151910432D

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    8.4428    5.5943    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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 11 12  1  0  0  0  0
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 15  9  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
 11 20  1  0  0  0  0
  9  8  1  0  0  0  0
  8 21  2  0  0  0  0
 19 22  2  0  0  0  0
 15 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (855)
855

>  <Formula> (855)
C21H23Cl2NO6

>  <MolWeight> (855)
456.31642

>  <Item Name> (855)
Clevidipine Butyrate

>  <Catalog Number> (855)
S2080

>  <Synonyms> (855)
N/A

>  <Target> (855)
Calcium Channel

>  <Form> (855)
Free Base

>  <URL> (855)
http://www.selleckchem.com/products/cleviprex-clevidipine.html

>  <CAS Number> (855)
167221-71-8

$$$$
Adiphenine hydrochloride.cdx
csChFnd80/01151910432D

 24 24  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
  2  4  1  0  0  0  0
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  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  4  1  0  0  0  0
  3 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  3  1  0  0  0  0
  1 15  1  0  0  0  0
  1 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
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 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (856)
856

>  <Formula> (856)
C20H26ClNO2

>  <MolWeight> (856)
347.87894

>  <Item Name> (856)
Adiphenine HCl

>  <Catalog Number> (856)
S2082

>  <Synonyms> (856)
N/A

>  <Target> (856)
AChR

>  <Form> (856)
HCl

>  <URL> (856)
http://www.selleckchem.com/products/adiphenine-hcl.html

>  <CAS Number> (856)
50-42-0

$$$$
Ambrisentan.cdx
csChFnd80/01151910432D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   10.8951    4.1927    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  6  0  0  0
  4  5  1  0  0  0  0
  4  6  2  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
  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
  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
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
  3 22  2  0  0  0  0
 22 23  1  0  0  0  0
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 26  3  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (857)
857

>  <Formula> (857)
C22H22N2O4

>  <MolWeight> (857)
378.42108

>  <Item Name> (857)
Ambrisentan

>  <Catalog Number> (857)
S2097

>  <Synonyms> (857)
N/A

>  <Target> (857)
Endothelin Receptor

>  <Form> (857)
Free Base

>  <URL> (857)
http://www.selleckchem.com/products/ambrisentan.html

>  <CAS Number> (857)
177036-94-1

$$$$
Bexarotene.cdx
csChFnd80/01151910432D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    8.3927    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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 13  4  1  0  0  0  0
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 17 12  1  0  0  0  0
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 10 20  1  0  0  0  0
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M  END
>  <Mol_ID> (858)
858

>  <Formula> (858)
C24H28O2

>  <MolWeight> (858)
348.47792

>  <Item Name> (858)
Bexarotene

>  <Catalog Number> (858)
S2098

>  <Synonyms> (858)
N/A

>  <Target> (858)
Retinoid Receptor

>  <Form> (858)
Free Base

>  <URL> (858)
http://www.selleckchem.com/products/bexarotene.html

>  <CAS Number> (858)
153559-49-0

$$$$
Temocapril hydrochloride.cdx
csChFnd80/01151910432D

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 28  2  0  0  0  0
M  END
>  <Mol_ID> (859)
859

>  <Formula> (859)
C23H29ClN2O5S2

>  <MolWeight> (859)
513.06976

>  <Item Name> (859)
Temocapril HCl

>  <Catalog Number> (859)
S2099

>  <Synonyms> (859)
N/A

>  <Target> (859)
RAAS

>  <Form> (859)
Hydrochloride

>  <URL> (859)
http://www.selleckchem.com/products/temocapril-hcl.html

>  <CAS Number> (859)
110221-44-8

$$$$
Gabexate mesylate.cdx
csChFnd80/01151910432D

 28 27  0  0  0  0  0  0  0  0999 V2000
   10.9161    7.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    6.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    5.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3495    6.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3495    7.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    8.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    8.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    7.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    8.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    5.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    6.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9868    5.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1992    6.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    4.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4743    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8791    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2840    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8791    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8791    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
  7  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
 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  2  0  0  0  0
  4 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
 24 25  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (860)
860

>  <Formula> (860)
C17H27N3O7S

>  <MolWeight> (860)
417.47718

>  <Item Name> (860)
Gabexate mesylate

>  <Catalog Number> (860)
S2101

>  <Synonyms> (860)
N/A

>  <Target> (860)
Proteasome

>  <Form> (860)
Mesylate

>  <URL> (860)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (860)
56974-61-9

$$$$
Rasagiline mesylate.cdx
csChFnd80/01151910432D

 18 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 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
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    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 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.4291    1.7646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0291    3.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0291    0.3694    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  5  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  3  0  0  0  0
 14 15  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (861)
861

>  <Formula> (861)
C13H17NO3S

>  <MolWeight> (861)
267.34398

>  <Item Name> (861)
Rasagiline mesylate

>  <Catalog Number> (861)
S2102

>  <Synonyms> (861)
N/A

>  <Target> (861)
MAO

>  <Form> (861)
Mesylate

>  <URL> (861)
http://www.selleckchem.com/products/rasagiline-mesylate.html

>  <CAS Number> (861)
161735-79-1

$$$$
Flunixin meglumine.cdx
csChFnd80/01151910432D

 34 34  0  0  0  0  0  0  0  0999 V2000
    3.5000    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   11.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    9.8933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.2560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    7.4684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    7.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    8.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    8.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    7.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    6.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    6.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    9.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6124    9.1933    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1876   10.5933    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000   11.1057    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    9.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2377    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9377    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.3377    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0377    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0377    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3377    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4377    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1377    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1377    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4377    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1377    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
  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
 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
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 13 17  1  0  0  0  0
 12 21  1  0  0  0  0
 10 11  1  0  0  0  0
  1 10  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
>  <Mol_ID> (862)
862

>  <Formula> (862)
C21H28F3N3O7

>  <MolWeight> (862)
491.4581296

>  <Item Name> (862)
Flunixin meglumin

>  <Catalog Number> (862)
S2108

>  <Synonyms> (862)
N/A

>  <Target> (862)
COX

>  <Form> (862)
Meglumin

>  <URL> (862)
http://www.selleckchem.com/products/flunixin-meglumin.html

>  <CAS Number> (862)
42461-84-7

$$$$
Dronedarone hydrochloride.cdx
csChFnd80/01151910432D

 40 41  0  0  0  0  0  0  0  0999 V2000
    3.6289    3.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    1.2838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2081    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    3.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.8140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.1165    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    4.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9100    1.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6033    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3009    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7009    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1770    5.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6430    7.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8513    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2677    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0595    9.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2719    9.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4844    9.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6926    9.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4759    7.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6842    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8924    7.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7637    2.1394    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  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
  8 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
  9 19  1  0  0  0  0
 19 20  2  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
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 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
 31 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
 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> (863)
863

>  <Formula> (863)
C31H45ClN2O5S

>  <MolWeight> (863)
593.2174

>  <Item Name> (863)
Dronedarone HCl (Multaq)

>  <Catalog Number> (863)
S2114

>  <Synonyms> (863)
N/A

>  <Target> (863)
Potassium Channel,Sodium

>  <Form> (863)
HCl

>  <URL> (863)
http://www.selleckchem.com/products/dronedarone-hcl-multaq.html

>  <CAS Number> (863)
141625-93-6

$$$$
Conivaptan hydrochloride.cdx
csChFnd80/01151910432D

 39 43  0  0  0  0  0  0  0  0999 V2000
    4.8455    5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.5892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (864)
864

>  <Formula> (864)
C32H27ClN4O2

>  <MolWeight> (864)
535.03538

>  <Item Name> (864)
Conivaptan HCl (Vaprisol)

>  <Catalog Number> (864)
S2116

>  <Synonyms> (864)
N/A

>  <Target> (864)
Vasopressin Receptor

>  <Form> (864)
HCl

>  <URL> (864)
http://www.selleckchem.com/products/conivaptan-hcl-vaprisol.html

>  <CAS Number> (864)
168626-94-6

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (865)
865

>  <Formula> (865)
C44H76N4O10S2

>  <MolWeight> (865)
885.22504

>  <Item Name> (865)
Ibutilide fumarate

>  <Catalog Number> (865)
S2118

>  <Synonyms> (865)
N/A

>  <Target> (865)
Sodium Channel

>  <Form> (865)
Fumarate

>  <URL> (865)
http://www.selleckchem.com/products/ibutilide-fumarate.html

>  <CAS Number> (865)
122647-32-9

$$$$
LORELCO (probucol).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (866)
866

>  <Formula> (866)
C31H48O2S2

>  <MolWeight> (866)
516.84162

>  <Item Name> (866)
Probucol

>  <Catalog Number> (866)
S2119

>  <Synonyms> (866)
N/A

>  <Target> (866)
Others

>  <Form> (866)
Free Base

>  <URL> (866)
http://www.selleckchem.com/products/probucol.html

>  <CAS Number> (866)
23288-49-5

$$$$
Arbidol hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (867)
867

>  <Formula> (867)
C22H26BrClN2O3S

>  <MolWeight> (867)
513.87544

>  <Item Name> (867)
Arbidol HCl

>  <Catalog Number> (867)
S2120

>  <Synonyms> (867)
N/A

>  <Target> (867)
Antifection

>  <Form> (867)
Hydrochloride

>  <URL> (867)
http://www.selleckchem.com/products/Arbidol-hcl.html

>  <CAS Number> (867)
131707-23-8

$$$$
Levosimendan.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (868)
868

>  <Formula> (868)
C14H12N6O

>  <MolWeight> (868)
280.28468

>  <Item Name> (868)
Levosimendan

>  <Catalog Number> (868)
S2446

>  <Synonyms> (868)
N/A

>  <Target> (868)
Calcium Channel

>  <Form> (868)
Free Base

>  <URL> (868)
http://www.selleckchem.com/products/levosimendan.html

>  <CAS Number> (868)
141505-33-1

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (869)
869

>  <Formula> (869)
C24H30F2O6

>  <MolWeight> (869)
452.4882064

>  <Item Name> (869)
Fluocinolone acetonide (Flucort-N)

>  <Catalog Number> (869)
S2470

>  <Synonyms> (869)
Flucort-N

>  <Target> (869)
Glucocorticoid Receptor

>  <Form> (869)
Free Base

>  <URL> (869)
http://www.selleckchem.com/products/Fluocinolone-acetonide(Flucort-N).html

>  <CAS Number> (869)
67-73-2

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (870)
870

>  <Formula> (870)
C18H23Cl2NO

>  <MolWeight> (870)
340.28732

>  <Item Name> (870)
Phenoxybenzamine HCl

>  <Catalog Number> (870)
S2499

>  <Synonyms> (870)
N/A

>  <Target> (870)
Androgen Receptor

>  <Form> (870)
HCl

>  <URL> (870)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

>  <CAS Number> (870)
63-92-3

$$$$
Propafenone.cdx
csChFnd80/01151910432D

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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> (871)
871

>  <Formula> (871)
C21H27NO3

>  <MolWeight> (871)
341.44398

>  <Item Name> (871)
Propafenone HCl

>  <Catalog Number> (871)
S2500

>  <Synonyms> (871)
Rythmol SR, Rytmonorm

>  <Target> (871)
Sodium Channel

>  <Form> (871)
Hydrochloride

>  <URL> (871)
http://www.selleckchem.com/products/Propafenone(Rytmonorm).html

>  <CAS Number> (871)
34183-22-7

$$$$
Roxithromycin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (872)
872

>  <Formula> (872)
C41H76N2O15

>  <MolWeight> (872)
837.04654

>  <Item Name> (872)
Roxithromycin (Roxl-150)

>  <Catalog Number> (872)
S2506

>  <Synonyms> (872)
Roxl-150, Roxo, Surlid, Rulide, Biaxsig, Roxar, Roximycin, Roxomycin, Tirabicin, Coroxin

>  <Target> (872)
Antifection

>  <Form> (872)
Free Base

>  <URL> (872)
http://www.selleckchem.com/products/Roxithromycin(Roxl-150).html

>  <CAS Number> (872)
80214-83-1

$$$$
Tenoxicam.cdx
csChFnd80/01151910432D

 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
    0.0000    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    5.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8059    3.7451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (873)
873

>  <Formula> (873)
C13H11N3O4S2

>  <MolWeight> (873)
337.37414

>  <Item Name> (873)
Tenoxicam(Mobiflex)

>  <Catalog Number> (873)
S2512

>  <Synonyms> (873)
Mobiflex

>  <Target> (873)
COX

>  <Form> (873)
Free Base

>  <URL> (873)
http://www.selleckchem.com/products/Tenoxicam(Mobiflex).html

>  <CAS Number> (873)
59804-37-4

$$$$
Xylometazoline hydrochloride.cdx
csChFnd80/01151910432D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (874)
874

>  <Formula> (874)
C16H25ClN2

>  <MolWeight> (874)
280.8361

>  <Item Name> (874)
Xylometazoline HCl

>  <Catalog Number> (874)
S2576

>  <Synonyms> (874)
N/A

>  <Target> (874)
Adrenergic Receptor

>  <Form> (874)
HCl

>  <URL> (874)
http://www.selleckchem.com/products/xylometazoline-hcl.html

>  <CAS Number> (874)
1218-35-5

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/01151910432D

 28 29  0  0  0  0  0  0  0  0999 V2000
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 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
  8  9  3  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (875)
875

>  <Formula> (875)
C19H19N3O6

>  <MolWeight> (875)
385.37066

>  <Item Name> (875)
Nilvadipine (ARC029)

>  <Catalog Number> (875)
S2721

>  <Synonyms> (875)
N/A

>  <Target> (875)
Calcium Channel

>  <Form> (875)
Free Base

>  <URL> (875)
http://www.selleckchem.com/products/nilvadipine-arc029.html

>  <CAS Number> (875)
75530-68-6

$$$$
Carbazochrome sodium sulfonate.cdx
csChFnd80/01151910432D

 21 21  0  0  0  0  0  0  0  0999 V2000
    8.6061    3.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    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
    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
   10.8290    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2290    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.9290    1.5876    0.0000 Na  0  3  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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    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
  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  1  0  0  0  0
  8  9  2  0  0  0  0
  1  9  1  0  0  0  0
  4  9  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
  2 10  1  0  0  0  0
  7 15  2  0  0  0  0
  1 16  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 18 19  1  0  0  0  0
  6 17  2  0  0  0  0
M  END
>  <Mol_ID> (876)
876

>  <Formula> (876)
C10H11N4NaO5S

>  <MolWeight> (876)
322.27291

>  <Item Name> (876)
Carbazochrome sodium sulfonate

>  <Catalog Number> (876)
S3000

>  <Synonyms> (876)
N/A

>  <Target> (876)
Others

>  <Form> (876)
Sodium

>  <URL> (876)
http://www.selleckchem.com/products/carbazochrome-sodium-sulfonate.html

>  <CAS Number> (876)
51460-26-5

$$$$
Clevudine.cdx
csChFnd80/01151910432D

 18 19  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
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    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 C   0  0  0  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
    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  2  0  0  0  0  0  0  0  0  0
    6.3571    5.8761    0.0000 C   0  0  1  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
    3.9509    6.5186    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245    7.1506    0.0000 O   0  0  0  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
    9.2646    5.6465    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
  6  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
 10  5  1  6  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
 14 10  1  0  0  0  0
 14 15  1  6  0  0  0
 13 16  1  1  0  0  0
 12 17  1  6  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (877)
877

>  <Formula> (877)
C10H13FN2O5

>  <MolWeight> (877)
260.2190232

>  <Item Name> (877)
Clevudine (Levovir)

>  <Catalog Number> (877)
S3001

>  <Synonyms> (877)
N/A

>  <Target> (877)
Others

>  <Form> (877)
Free Base

>  <URL> (877)
http://www.selleckchem.com/products/clevudine-levovir.html

>  <CAS Number> (877)
163252-36-6

$$$$
Zaltoprofen.cdx
csChFnd80/01151910432D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5194    0.8452    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8843    1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4918    2.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8843    3.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5194    3.9910    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    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6765    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8879    2.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2090    5.3511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0677    1.4702    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8537    0.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8872    3.8799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0643    2.8315    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 11  1  0  0  0  0
 11  5  1  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 15  2  0  0  0  0
 15  9  1  0  0  0  0
 11 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  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> (878)
878

>  <Formula> (878)
C17H14O3S

>  <MolWeight> (878)
298.35626

>  <Item Name> (878)
Zaltoprofen

>  <Catalog Number> (878)
S3008

>  <Synonyms> (878)
N/A

>  <Target> (878)
COX

>  <Form> (878)
Free Base

>  <URL> (878)
http://www.selleckchem.com/products/zaltoprofen.html

>  <CAS Number> (878)
74711-43-6

$$$$
aspirin.cdx
csChFnd80/01151910432D

 13 13  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    4.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.9097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.9097    0.0000 O   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  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
  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
  5 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> (879)
879

>  <Formula> (879)
C9H8O4

>  <MolWeight> (879)
180.15742

>  <Item Name> (879)
Aspirin (Acetylsalicylic acid)

>  <Catalog Number> (879)
S3017

>  <Synonyms> (879)
N/A

>  <Target> (879)
COX

>  <Form> (879)
Free Base

>  <URL> (879)
http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

>  <CAS Number> (879)
50-78-2

$$$$
Niflumic acid.cdx
csChFnd80/01151910432D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.5000    2.4249    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
    1.4000    3.6373    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
    3.5000    4.8497    0.0000 C   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
    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 O   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
    4.2000    1.2124    0.0000 N   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
    7.7000    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
    7.7000    0.0000    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
    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1876    4.3373    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.8497    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6124    2.9373    0.0000 F   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  1  0  0  0  0
  2  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
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 13 17  1  0  0  0  0
 10 11  1  0  0  0  0
  1 10  1  0  0  0  0
M  END
>  <Mol_ID> (880)
880

>  <Formula> (880)
C13H9F3N2O2

>  <MolWeight> (880)
282.2179696

>  <Item Name> (880)
Niflumic acid

>  <Catalog Number> (880)
S3018

>  <Synonyms> (880)
N/A

>  <Target> (880)
GABA Receptor

>  <Form> (880)
Free Base

>  <URL> (880)
http://www.selleckchem.com/products/niflumic-acid.html

>  <CAS Number> (880)
4394-00-7

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/01151910432D

 35 37  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    5.4027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    2.9778    0.0000 O   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
    6.0538    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6784    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8867    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0453    2.1000    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
    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
   14.5114    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6577    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0271    2.5093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
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 18 24  1  1  0  0  0
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 35 31  1  0  0  0  0
 31 21  1  1  0  0  0
M  END
>  <Mol_ID> (881)
881

>  <Formula> (881)
C25H35N3O6S

>  <MolWeight> (881)
505.6269

>  <Item Name> (881)
Amprenavir (Agenerase)

>  <Catalog Number> (881)
S1639

>  <Synonyms> (881)
Agenerase

>  <Target> (881)
HIV Protease

>  <Form> (881)
Free Base

>  <URL> (881)
http://www.selleckchem.com/products/Amprenavir-(Agenerase).html

>  <CAS Number> (881)
161814-49-9

$$$$
PREZISTA (darunavir ethanolate).cdx
csChFnd80/01151910432D

 46 48  0  0  0  0  0  0  0  0999 V2000
    2.1544    6.0278    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 40 35  1  0  0  0  0
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M  END
>  <Mol_ID> (882)
882

>  <Formula> (882)
C29H43N3O8S

>  <MolWeight> (882)
593.73202

>  <Item Name> (882)
Darunavir Ethanolate (Prezista)

>  <Catalog Number> (882)
S1620

>  <Synonyms> (882)
Prezista, TMC114

>  <Target> (882)
HIV Protease

>  <Form> (882)
Ethanolate

>  <URL> (882)
http://www.selleckchem.com/products/Darunavir-Ethanolate(Prezista).html

>  <CAS Number> (882)
635728-49-3

$$$$
Proparacaine hydrochloride.cdx
csChFnd80/01151910432D

 22 21  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1328    6.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2707    0.0000    0.0000 Cl  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
  2  8  1  0  0  0  0
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 10 11  1  0  0  0  0
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 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (883)
883

>  <Formula> (883)
C16H27ClN2O3

>  <MolWeight> (883)
330.85018

>  <Item Name> (883)
Proparacaine HCl

>  <Catalog Number> (883)
S1828

>  <Synonyms> (883)
N/A

>  <Target> (883)
Sodium Channel

>  <Form> (883)
Hydrochloride

>  <URL> (883)
http://www.selleckchem.com/products/proparacaine-hcl.html

>  <CAS Number> (883)
5875-06-9

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/01151910432D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.3879    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
  3  5  2  0  0  0  0
  3  6  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 11  2  0  0  0  0
 11  4  1  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
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 16 17  2  0  0  0  0
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 17 20  1  0  0  0  0
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  1 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  1  1  0  0  0  0
M  END
>  <Mol_ID> (884)
884

>  <Formula> (884)
C18H14N4O5S

>  <MolWeight> (884)
398.39256

>  <Item Name> (884)
Sulfasalazine (Azulfidine)

>  <Catalog Number> (884)
S1576

>  <Synonyms> (884)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (884)
COX,NF-¦ÊB

>  <Form> (884)
Free Base

>  <URL> (884)
http://www.selleckchem.com/products/Sulfasalazine(Azulfidine).html

>  <CAS Number> (884)
599-79-1

$$$$
LY 2484595.cdx
csChFnd80/01151910432D

 48 52  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 35  1  0  0  0  0
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (885)
885

>  <Formula> (885)
C31H36F6N6O2

>  <MolWeight> (885)
638.6469592

>  <Item Name> (885)
Evacetrapib (LY2484595)

>  <Catalog Number> (885)
S2925

>  <Synonyms> (885)
N/A

>  <Target> (885)
CETP

>  <Form> (885)
Free Base

>  <URL> (885)
http://www.selleckchem.com/products/evacetrapib-ly2484595.html

>  <CAS Number> (885)
1186486-62-3

$$$$

csChFnd80/01151910432D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 13  2  0  0  0  0
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M  END
>  <Mol_ID> (886)
886

>  <Formula> (886)
C22H23ClKN6O

>  <MolWeight> (886)
462.00892

>  <Item Name> (886)
Losartan potassium

>  <Catalog Number> (886)
S1359

>  <Synonyms> (886)
Cozaar

>  <Target> (886)
RAAS

>  <Form> (886)
Potassium salt

>  <URL> (886)
http://www.selleckchem.com/products/losartan-potassium.html

>  <CAS Number> (886)
124750-99-8

$$$$
ZAGAM (sparfloxacin).cdx
csChFnd80/01151910432D

 28 31  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
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (887)
887

>  <Formula> (887)
C19H22F2N4O3

>  <MolWeight> (887)
392.3997864

>  <Item Name> (887)
Sparfloxacin

>  <Catalog Number> (887)
S1884

>  <Synonyms> (887)
N/A

>  <Target> (887)
Antifection

>  <Form> (887)
Free Base

>  <URL> (887)
http://www.selleckchem.com/products/sparfloxacin.html

>  <CAS Number> (887)
110871-86-8

$$$$
Tolnaftate.cdx
csChFnd80/01151910432D

 22 24  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
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 12  5  1  0  0  0  0
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M  END
>  <Mol_ID> (888)
888

>  <Formula> (888)
C19H17NOS

>  <MolWeight> (888)
307.40938

>  <Item Name> (888)
Tolnaftate

>  <Catalog Number> (888)
S2058

>  <Synonyms> (888)
N/A

>  <Target> (888)
Antifection

>  <Form> (888)
Free Base

>  <URL> (888)
http://www.selleckchem.com/products/tolnaftate.html

>  <CAS Number> (888)
2398-96-1

$$$$
Arecoline hydrobromide.cdx
csChFnd80/01151910432D

 12 11  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
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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
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    0.0000    2.7976    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
    6.0496    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
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1290    0.9625    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
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  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (889)
889

>  <Formula> (889)
C8H14BrNO2

>  <MolWeight> (889)
236.10626

>  <Item Name> (889)
Arecoline HBr

>  <Catalog Number> (889)
S2614

>  <Synonyms> (889)
N/A

>  <Target> (889)
AChR

>  <Form> (889)
HBr

>  <URL> (889)
http://www.selleckchem.com/products/arecoline.html

>  <CAS Number> (889)
300-08-3 

$$$$
OSI-906.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (890)
890

>  <Formula> (890)
C26H23N5O

>  <MolWeight> (890)
421.49372

>  <Item Name> (890)
OSI-906 (Linsitinib)

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S1091

>  <Synonyms> (890)
N/A

>  <Target> (890)
IGF-1R

>  <Form> (890)
Free Base

>  <URL> (890)
http://www.selleckchem.com/products/OSI-906.html

>  <CAS Number> (890)
867160-71-2

$$$$
aicar.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (891)
891

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C9H14N4O5

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258.23126

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AICAR (Acadesine)

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S1802

>  <Synonyms> (891)
AICAR, AICA-riboside

>  <Target> (891)
AMPK

>  <Form> (891)
Free Base

>  <URL> (891)
http://www.selleckchem.com/products/Acadesine.html

>  <CAS Number> (891)
2627-69-2

$$$$
Cobicistat (GS-9350).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (892)
892

>  <Formula> (892)
C40H53N7O5S2

>  <MolWeight> (892)
776.02272

>  <Item Name> (892)
Cobicistat (GS-9350)

>  <Catalog Number> (892)
S2900

>  <Synonyms> (892)
N/A

>  <Target> (892)
P450 (e.g. CYP17)

>  <Form> (892)
Free Base

>  <URL> (892)
http://www.selleckchem.com/products/cobicistat-gs-9350.html

>  <CAS Number> (892)
1004316-88-4

$$$$
Pergolide mesylate salt.cdx
csChFnd80/01151910432D

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 26 29  2  0  0  0  0
M  END
>  <Mol_ID> (893)
893

>  <Formula> (893)
C20H30N2O3S2

>  <MolWeight> (893)
410.5938

>  <Item Name> (893)
Pergolide mesylate

>  <Catalog Number> (893)
S4000

>  <Synonyms> (893)
N/A

>  <Target> (893)
Dopamine Receptor

>  <Form> (893)
Mesylate

>  <URL> (893)
http://www.selleckchem.com/products/Pergolide-mesylate.html

>  <CAS Number> (893)
66104-23-2

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (894)
894

>  <Formula> (894)
C32H30FN3O10

>  <MolWeight> (894)
635.5931032

>  <Item Name> (894)
Cabozantinib malate

>  <Catalog Number> (894)
S4001

>  <Synonyms> (894)
N/A

>  <Target> (894)
VEGFR

>  <Form> (894)
Malate

>  <URL> (894)
http://www.selleckchem.com/products/cabozantinib-malate.html

>  <CAS Number> (894)
1140909-48-3

$$$$
acebutolol hydrochloride.cdx
csChFnd80/01151910432D

 25 24  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.4240    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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M  END
>  <Mol_ID> (895)
895

>  <Formula> (895)
C18H29ClN2O4

>  <MolWeight> (895)
372.88686

>  <Item Name> (895)
Acebutolol HCl

>  <Catalog Number> (895)
S4010

>  <Synonyms> (895)
N/A

>  <Target> (895)
Adrenergic Receptor

>  <Form> (895)
Hydrochloride

>  <URL> (895)
http://www.selleckchem.com/products/acebutolol-hcl.html

>  <CAS Number> (895)
34381-68-5

$$$$
Ampiroxicam.cdx
csChFnd80/01151910432D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 28 30  2  0  0  0  0
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M  END
>  <Mol_ID> (896)
896

>  <Formula> (896)
C20H21N3O7S

>  <MolWeight> (896)
447.46164

>  <Item Name> (896)
Ampiroxicam

>  <Catalog Number> (896)
S4011

>  <Synonyms> (896)
N/A

>  <Target> (896)
COX

>  <Form> (896)
Free Base

>  <URL> (896)
http://www.selleckchem.com/products/ampiroxicam.html

>  <CAS Number> (896)
99464-64-9

$$$$
Lithocholic acid.cdx
csChFnd80/01151910432D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (897)
897

>  <Formula> (897)
C24H40O3

>  <MolWeight> (897)
376.5726

>  <Item Name> (897)
Lithocholic acid

>  <Catalog Number> (897)
S4003

>  <Synonyms> (897)
N/A

>  <Target> (897)
FXR

>  <Form> (897)
Free Base

>  <URL> (897)
http://www.selleckchem.com/products/lithocholic-acid.html

>  <CAS Number> (897)
434-13-9

$$$$
Mirabegron.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (898)
898

>  <Formula> (898)
C21H24N4O2S

>  <MolWeight> (898)
396.50586

>  <Item Name> (898)
Mirabegron (YM178)

>  <Catalog Number> (898)
S4009

>  <Synonyms> (898)
N/A

>  <Target> (898)
Adrenergic Receptor

>  <Form> (898)
Free Base

>  <URL> (898)
http://www.selleckchem.com/products/mirabegron-ym178.html

>  <CAS Number> (898)
223673-61-8

$$$$
Allylthiourea.cdx
csChFnd80/01151910432D

  7  6  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (899)
899

>  <Formula> (899)
C4H8N2S

>  <MolWeight> (899)
116.18472

>  <Item Name> (899)
Allylthiourea

>  <Catalog Number> (899)
S4017

>  <Synonyms> (899)
N/A

>  <Target> (899)
Others

>  <Form> (899)
Free Base

>  <URL> (899)
http://www.selleckchem.com/products/allylthiourea.html

>  <CAS Number> (899)
109-57-9

$$$$
Hyoscyamine (L).cdx
csChFnd80/01151910432D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (900)
900

>  <Formula> (900)
C17H23NO3

>  <MolWeight> (900)
289.36942

>  <Item Name> (900)
Hyoscyamine (Daturine)

>  <Catalog Number> (900)
S4014

>  <Synonyms> (900)
N/A

>  <Target> (900)
AChR

>  <Form> (900)
Free Base

>  <URL> (900)
http://www.selleckchem.com/products/hyoscyamine-daturine.html

>  <CAS Number> (900)
101-31-5

$$$$
Avanafil.cdx
csChFnd80/01151910432D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (901)
901

>  <Formula> (901)
C23H26ClN7O3

>  <MolWeight> (901)
483.95064

>  <Item Name> (901)
Avanafil

>  <Catalog Number> (901)
S4019

>  <Synonyms> (901)
N/A

>  <Target> (901)
PDE

>  <Form> (901)
Free Base

>  <URL> (901)
http://www.selleckchem.com/products/avanafil.html

>  <CAS Number> (901)
330784-47-9

$$$$
BENEMID (probenecid).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (902)
902

>  <Formula> (902)
C13H19NO4S

>  <MolWeight> (902)
285.35926

>  <Item Name> (902)
Probenecid (Benemid) 

>  <Catalog Number> (902)
S4022

>  <Synonyms> (902)
Probalan

>  <Target> (902)
TRPV

>  <Form> (902)
Free Base

>  <URL> (902)
http://www.selleckchem.com/products/probenecid-benemid.html

>  <CAS Number> (902)
57-66-9

$$$$
procaine hydrochloride.cdx
csChFnd80/01151910432D

 18 17  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.5838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.6837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    3.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    3.2838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    3.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5179    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
  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
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 13 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
M  END
>  <Mol_ID> (903)
903

>  <Formula> (903)
C13H21ClN2O2

>  <MolWeight> (903)
272.77104

>  <Item Name> (903)
Procaine (Novocaine) HCl

>  <Catalog Number> (903)
S4023

>  <Synonyms> (903)
N/A

>  <Target> (903)
Sodium Channel

>  <Form> (903)
HCl

>  <URL> (903)
http://www.selleckchem.com/products/procaine-novocaine-hcl.html

>  <CAS Number> (903)
51-05-8

$$$$
sennoside A.cdx
csChFnd80/01151910432D

 62 69  0  0  0  0  0  0  0  0999 V2000
    7.2780   10.4953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2780    9.0953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0634   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4925   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4925    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0634    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8581   10.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7070    4.8952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8581    4.8952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    9.0953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9217   15.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3416    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1267   10.4953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1267   14.6953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6437    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4289    6.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4 10  1  0  0  0  0
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 10 19  2  0  0  0  0
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 50 56  1  0  0  0  0
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 57 62  1  0  0  0  0
M  END
>  <Mol_ID> (904)
904

>  <Formula> (904)
C42H38O20

>  <MolWeight> (904)
862.73912

>  <Item Name> (904)
Sennoside A

>  <Catalog Number> (904)
S4033

>  <Synonyms> (904)
N/A

>  <Target> (904)
Others

>  <Form> (904)
Free Base

>  <URL> (904)
http://www.selleckchem.com/products/sennoside-a.html

>  <CAS Number> (904)
81-27-6

$$$$
Sodium picosulfate.cdx
csChFnd80/01151910432D

 31 31  0  0  0  0  0  0  0  0999 V2000
    8.2605    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0481    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2605    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (905)
905

>  <Formula> (905)
C18H13NNa2O8S2

>  <MolWeight> (905)
481.40726

>  <Item Name> (905)
Sodium Picosulfate

>  <Catalog Number> (905)
S4020

>  <Synonyms> (905)
Sodium Picosulphate

>  <Target> (905)
Others

>  <Form> (905)
Sodium Salt

>  <URL> (905)
http://www.selleckchem.com/products/sodium-picosulfate.html

>  <CAS Number> (905)
10040-45-6

$$$$
Tolcapone.cdx
csChFnd80/01151910432D

 20 21  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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   10.9119    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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M  END
>  <Mol_ID> (906)
906

>  <Formula> (906)
C14H11NO5

>  <MolWeight> (906)
273.24084

>  <Item Name> (906)
Tolcapone

>  <Catalog Number> (906)
S4021

>  <Synonyms> (906)
N/A

>  <Target> (906)
Transferase

>  <Form> (906)
Free Base

>  <URL> (906)
http://www.selleckchem.com/products/tolcapone.html

>  <CAS Number> (906)
134308-13-7

$$$$
methazolamide.cdx
csChFnd80/01151910432D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.9448    1.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6545    1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3229    4.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3272    1.3272    0.0000 S   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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  8 11  2  0  0  0  0
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  9 13  2  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (907)
907

>  <Formula> (907)
C5H8N4O3S2

>  <MolWeight> (907)
236.27202

>  <Item Name> (907)
Methazolamide

>  <Catalog Number> (907)
S4039

>  <Synonyms> (907)
N/A

>  <Target> (907)
Carbonic Anhydrase

>  <Form> (907)
Free Base

>  <URL> (907)
http://www.selleckchem.com/products/methazolamide.html

>  <CAS Number> (907)
554-57-4

$$$$
SN-38.cdx
csChFnd80/01151910432D

 29 33  0  0  0  0  0  0  0  0999 V2000
    6.0313    4.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 18  1  0  0  0  0
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 18 23  2  0  0  0  0
 20 23  1  0  0  0  0
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 23 26  1  0  0  0  0
 17 27  1  6  0  0  0
 17 28  1  1  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (908)
908

>  <Formula> (908)
C22H20N2O5

>  <MolWeight> (908)
392.4046

>  <Item Name> (908)
SN-38

>  <Catalog Number> (908)
S4908

>  <Synonyms> (908)
N/A

>  <Target> (908)
Topoisomerase

>  <Form> (908)
Free Base

>  <URL> (908)
http://www.selleckchem.com/products/sn-38.html

>  <CAS Number> (908)
86639-52-3

$$$$
Nabumetone.cdx
csChFnd80/01151910432D

 17 18  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
    2.8000    0.0000    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
    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
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    3.6373    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
    8.4000    2.4249    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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 10  5  1  0  0  0  0
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  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (909)
909

>  <Formula> (909)
C15H16O2

>  <MolWeight> (909)
228.28634

>  <Item Name> (909)
Nabumetone

>  <Catalog Number> (909)
S4051

>  <Synonyms> (909)
Arthaxan, Relafen

>  <Target> (909)
COX

>  <Form> (909)
Free Base

>  <URL> (909)
http://www.selleckchem.com/products/nabumetone.html

>  <CAS Number> (909)
42924-53-8

$$$$
sertraline hydrochloride.cdx
csChFnd80/01151910432D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4331    7.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.6048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6579    9.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6249    4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (910)
910

>  <Formula> (910)
C17H18Cl3N

>  <MolWeight> (910)
342.69052

>  <Item Name> (910)
Sertraline HCl

>  <Catalog Number> (910)
S4053

>  <Synonyms> (910)
N/A

>  <Target> (910)
5-HT Receptor

>  <Form> (910)
HCl

>  <URL> (910)
http://www.selleckchem.com/products/sertraline-hcl.html

>  <CAS Number> (910)
79559-97-0

$$$$
methyclothiazide.cdx
csChFnd80/01151910432D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1 17  1  0  0  0  0
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 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (911)
911

>  <Formula> (911)
C9H11Cl2N3O4S2

>  <MolWeight> (911)
360.23734

>  <Item Name> (911)
Methyclothiazide

>  <Catalog Number> (911)
S4057

>  <Synonyms> (911)
N/A

>  <Target> (911)
Others

>  <Form> (911)
Free Base

>  <URL> (911)
http://www.selleckchem.com/products/methyclothiazide.html

>  <CAS Number> (911)
135-07-9

$$$$
retapamulin.cdx
csChFnd80/01151910432D

 39 43  0  0  0  0  0  0  0  0999 V2000
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   12.6808    5.8570    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8680    2.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1580    1.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7843    1.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6220    0.8916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4597    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5548    1.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6341    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3771    1.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4599    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7208    3.5767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7876    4.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6015    6.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2278    7.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1485    8.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1024    6.0148    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
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  1  0  0  0
  4 10  1  6  0  0  0
  5 11  1  0  0  0  0
  8 12  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
 14 16  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
 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 17  1  0  0  0  0
 18 15  1  6  0  0  0
 19 25  1  6  0  0  0
 21 26  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  1  0  0  0
 21 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 20 32  1  0  0  0  0
 32 33  2  0  0  0  0
 20 34  1  6  0  0  0
 22 35  1  6  0  0  0
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 24 37  1  1  0  0  0
 37 38  2  0  0  0  0
 23 39  1  1  0  0  0
M  END
>  <Mol_ID> (912)
912

>  <Formula> (912)
C30H47NO4S

>  <MolWeight> (912)
517.76348

>  <Item Name> (912)
Retapamulin

>  <Catalog Number> (912)
S4056

>  <Synonyms> (912)
N/A

>  <Target> (912)
Antifection

>  <Form> (912)
Free Base

>  <URL> (912)
http://www.selleckchem.com/products/retapamulin.html

>  <CAS Number> (912)
224452-66-8

$$$$
ronidazole.cdx
csChFnd80/01151910432D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4119    6.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    5.0934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7481    4.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5786    5.7959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7481    6.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2782    7.3245    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4226    8.7170    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2854    4.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1791    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1892    2.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5515    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9038    0.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5615    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  1  6  1  0  0  0  0
  2  9  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  1  0  0  0  0
 12 14  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (913)
913

>  <Formula> (913)
C6H8N4O4

>  <MolWeight> (913)
200.15212

>  <Item Name> (913)
Ronidazole

>  <Catalog Number> (913)
S4062

>  <Synonyms> (913)
N/A

>  <Target> (913)
Antifection

>  <Form> (913)
Free Base

>  <URL> (913)
http://www.selleckchem.com/products/ronidazole.html

>  <CAS Number> (913)
7681-76-7

$$$$
ropivacaine hydrochloride.cdx
csChFnd80/01151910432D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.8911    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4272    6.2914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    6.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    8.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8439    9.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8411    4.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8412    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0537    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0537    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0537    4.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6329    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1561    7.1375    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
  4 10  1  6  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
 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
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (914)
914

>  <Formula> (914)
C17H27ClN2O

>  <MolWeight> (914)
310.86208

>  <Item Name> (914)
Ropivacaine HCl

>  <Catalog Number> (914)
S4058

>  <Synonyms> (914)
N/A

>  <Target> (914)
Sodium Channel

>  <Form> (914)
HCl

>  <URL> (914)
http://www.selleckchem.com/products/ropivacaine-hcl.html

>  <CAS Number> (914)
98717-15-8

$$$$
Vitamin D3.cdx
csChFnd80/01151910432D

 29 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  2  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
    4.8413    2.7976    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
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    6.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    8.8205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9872    9.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9872    5.6004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6039   10.1473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9686   10.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6174   11.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3997   11.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7644   12.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955   13.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2090   14.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5601   13.6713    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
  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  2  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  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
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
 18 12  1  0  0  0  0
 12 19  1  1  0  0  0
 11 20  1  6  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  6  0  0  0
 22 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
  2 29  1  6  0  0  0
M  END
>  <Mol_ID> (915)
915

>  <Formula> (915)
C27H44O

>  <MolWeight> (915)
384.63766

>  <Item Name> (915)
Vitamin D3 (Cholecalciferol)

>  <Catalog Number> (915)
S4063

>  <Synonyms> (915)
N/A

>  <Target> (915)
Vitamin

>  <Form> (915)
Free Base

>  <URL> (915)
http://www.selleckchem.com/products/vitamin-d3-cholecalciferol.html

>  <CAS Number> (915)
67-97-0

$$$$
Nafcillin sodium monohydrate.cdx
csChFnd80/01151910432D

 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
    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
    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
    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
    5.8901    3.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    5.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2216    2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2620    3.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    5.5947    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8901    6.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901    5.5947    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2901    6.9947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6216    5.1621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4445    6.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6216    7.4273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6570    6.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3813    5.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0711    4.2119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    7.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1175    9.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4237    9.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8563   10.3814    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    1.5545    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 10  2  0  0  0  0
 10  2  1  0  0  0  0
  5 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 12  1  6  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 18  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 20  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  1  0  0  0
 19 27  1  1  0  0  0
 18 28  2  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (916)
916

>  <Formula> (916)
C21H23N2NaO6S

>  <MolWeight> (916)
454.47189

>  <Item Name> (916)
Nafcillin Sodium

>  <Catalog Number> (916)
S4042

>  <Synonyms> (916)
N/A

>  <Target> (916)
Antifection

>  <Form> (916)
sodium Salt

>  <URL> (916)
http://www.selleckchem.com/products/nafcillin-sodium.html

>  <CAS Number> (916)
7177-50-6

$$$$
norethindrone.cdx
csChFnd80/01151910432D

 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
    7.2768    4.1994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0626    2.0998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6110    2.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6110    4.6321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0626    4.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2799    5.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8526    2.8008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0626    0.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4326    3.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4186    6.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8212    5.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8526    4.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    2.0998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8526    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2290    7.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    0.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    0.6972    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
    7.2799    1.2467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0117    3.2037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    1.7156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    3.0814    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
  5 11  1  6  0  0  0
  5 12  1  1  0  0  0
  5 10  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  6  0  0  0
  9 15  1  0  0  0  0
 11 16  3  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  1  0  0  0
 15 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
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (917)
917

>  <Formula> (917)
C20H26O2

>  <MolWeight> (917)
298.41924

>  <Item Name> (917)
Norethindrone (Norethisterone)

>  <Catalog Number> (917)
S4040

>  <Synonyms> (917)
N/A

>  <Target> (917)
Others

>  <Form> (917)
Free Base

>  <URL> (917)
http://www.selleckchem.com/products/norethindrone-norethisterone.html

>  <CAS Number> (917)
68-22-4

$$$$
olsalazine sodium.cdx
csChFnd80/01151910432D

 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
    3.4951    2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    3.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    3.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    3.6916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2879    2.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6879    2.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7879    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    2.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7879    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    1.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    0.0627    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.4854    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    4.9040    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7879    6.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8830    2.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   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
  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 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
  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
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (918)
918

>  <Formula> (918)
C14H8N2Na2O6

>  <MolWeight> (918)
346.20266

>  <Item Name> (918)
Olsalazine Sodium

>  <Catalog Number> (918)
S4041

>  <Synonyms> (918)
N/A

>  <Target> (918)
Antifection

>  <Form> (918)
Disodium Salt

>  <URL> (918)
http://www.selleckchem.com/products/olsalazine-sodium.html

>  <CAS Number> (918)
6054-98-4

$$$$
Tetrahydrozoline hydrochloride.cdx
csChFnd80/01151910432D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.9656    4.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    3.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926    0.0165    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
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  4  1  0  0  0  0
  2  6  1  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
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
  7 12  2  0  0  0  0
 13 14  2  0  0  0  0
 15  8  2  0  0  0  0
  8  7  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (919)
919

>  <Formula> (919)
C13H17ClN2

>  <MolWeight> (919)
236.74048

>  <Item Name> (919)
Tetrahydrozoline HCl

>  <Catalog Number> (919)
S4043

>  <Synonyms> (919)
N/A

>  <Target> (919)
Adrenergic Receptor

>  <Form> (919)
hydrochloride

>  <URL> (919)
http://www.selleckchem.com/products/tetrahydrozoline-hcl.html

>  <CAS Number> (919)
522-48-5

$$$$
Toltrazuril.cdx
csChFnd80/01151910432D

 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
    9.6995    0.7000    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
   12.1244    0.7000    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    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
    8.4870    0.0000    0.0000 O   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    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
    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
   13.3368    2.8000    0.0000 S   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
   13.8492    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 F   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
    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 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
    1.2124    2.8000    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
    0.0000    4.9000    0.0000 O   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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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
  9  2  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  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
  5 15  1  0  0  0  0
 12 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 20  1  0  0  0  0
 23 26  2  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
 25 29  2  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
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (920)
920

>  <Formula> (920)
C18H14F3N3O4S

>  <MolWeight> (920)
425.3816696

>  <Item Name> (920)
Toltrazuril

>  <Catalog Number> (920)
S4044

>  <Synonyms> (920)
N/A

>  <Target> (920)
Antifection

>  <Form> (920)
Free Base

>  <URL> (920)
http://www.selleckchem.com/products/toltrazuril.html

>  <CAS Number> (920)
69004-03-1

$$$$
Dibucaine HCL.cdx
csChFnd80/01151910432D

 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
    3.6486    4.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    4.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8572    5.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6562    3.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    7.3969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2086    7.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0076    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    2.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4476    2.4905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583    7.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0810    3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4831    7.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5059    3.2232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    6.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4983    4.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    2.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9080    7.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7069    5.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9307    3.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3136    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  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> (921)
921

>  <Formula> (921)
C20H30ClN3O2

>  <MolWeight> (921)
379.9241

>  <Item Name> (921)
Dibucaine (Cinchocaine) HCl

>  <Catalog Number> (921)
S4038

>  <Synonyms> (921)
N/A

>  <Target> (921)
Sodium Channel

>  <Form> (921)
hydrochloride

>  <URL> (921)
http://www.selleckchem.com/products/dibucaine-cinchocaine-hcl.html

>  <CAS Number> (921)
61-12-1

$$$$
Diphemanil methylsulfate.cdx
csChFnd80/01151910432D

 27 28  0  0  0  0  0  0  0  0999 V2000
    6.3913    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW   0 B_NG_STER 2
M  END
>  <Mol_ID> (922)
922

>  <Formula> (922)
C21H27NO4S

>  <MolWeight> (922)
389.50838

>  <Item Name> (922)
Diphemanil Methylsulfate

>  <Catalog Number> (922)
S4034

>  <Synonyms> (922)
N/A

>  <Target> (922)
AChR

>  <Form> (922)
Methylsulfate

>  <URL> (922)
http://www.selleckchem.com/products/diphemanil-methylsulfate.html

>  <CAS Number> (922)
62-97-5

$$$$
Doxapram HCl.cdx
csChFnd80/01151910432D

 30 31  0  0  0  0  0  0  0  0999 V2000
    8.2658    4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3289    5.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  3  1  0  0  0  0
 10  4  1  0  0  0  0
  4  5  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
 19  8  1  0  0  0  0
 20  9  2  0  0  0  0
 21  9  1  0  0  0  0
 12 10  1  0  0  0  0
 11 17  1  0  0  0  0
 16 11  1  0  0  0  0
 22 13  1  0  0  0  0
 17 14  1  0  0  0  0
 16 15  1  0  0  0  0
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 27 24  2  0  0  0  0
 27 25  1  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (923)
923

>  <Formula> (923)
C24H33ClN2O3

>  <MolWeight> (923)
432.98342

>  <Item Name> (923)
Doxapram HCl

>  <Catalog Number> (923)
S4037

>  <Synonyms> (923)
N/A

>  <Target> (923)
Potassium Channel

>  <Form> (923)
HCl

>  <URL> (923)
http://www.selleckchem.com/products/doxapram-hcl.html

>  <CAS Number> (923)
7081-53-0

$$$$
Vitamin D2.cdx
csChFnd80/01151910432D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.8446    8.4123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8446    7.0170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.3162    9.8404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.3061    8.8504    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 30  1  1  0  0  0
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  3  7  1  1  0  0  0
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 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
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 24 28  1  6  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (924)
924

>  <Formula> (924)
C28H44O

>  <MolWeight> (924)
396.64836

>  <Item Name> (924)
Vitamin D2 (Ergocalciferol)

>  <Catalog Number> (924)
S4035

>  <Synonyms> (924)
N/A

>  <Target> (924)
DNA/RNA Synthesis

>  <Form> (924)
Free Base

>  <URL> (924)
http://www.selleckchem.com/products/vitamin-d2-ergocalciferol.html

>  <CAS Number> (924)
50-14-6

$$$$
Desvenlafaxine succinate.cdx
csChFnd80/01151910432D

 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
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    5.1718    6.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  6  1  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
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 11 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 20 26  1  0  0  0  0
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M  END
>  <Mol_ID> (925)
925

>  <Formula> (925)
C20H31NO6

>  <MolWeight> (925)
381.46324

>  <Item Name> (925)
Desvenlafaxine Succinate

>  <Catalog Number> (925)
S4112

>  <Synonyms> (925)
N/A

>  <Target> (925)
5-HT Receptor

>  <Form> (925)
Succinate

>  <URL> (925)
http://www.selleckchem.com/products/desvenlafaxine-succinate.html

>  <CAS Number> (925)
386750-22-7

$$$$
Dicloxacillin sodium.cdx
csChFnd80/01151910432D

 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
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    9.3555    5.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0407    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6334    6.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4509    4.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0516    7.2571    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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  2  7  1  0  0  0  0
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 13  9  1  0  0  0  0
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 18 16  1  1  0  0  0
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 21 24  1  1  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> (926)
926

>  <Formula> (926)
C19H18Cl2N3NaO6S

>  <MolWeight> (926)
510.32349

>  <Item Name> (926)
Dicloxacillin Sodium

>  <Catalog Number> (926)
S4111

>  <Synonyms> (926)
Diclocil

>  <Target> (926)
Antifection

>  <Form> (926)
Sodium Salt

>  <URL> (926)
http://www.selleckchem.com/products/dicloxacillin-sodium.html

>  <CAS Number> (926)
13412-64-1

$$$$
Estradiol benzoate.cdx
csChFnd80/01151910432D

 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
    6.0498    2.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750    2.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2644    4.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8999    2.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9011    4.1924    0.0000 C   0  0  2  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
    9.6904    6.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4452    4.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2691    5.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4472    6.7228    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8795    8.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1141    3.4913    0.0000 H   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    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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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  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
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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
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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
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 10 22  1  6  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 25  1  0  0  0  0
M  END
>  <Mol_ID> (927)
927

>  <Formula> (927)
C25H28O3

>  <MolWeight> (927)
376.48802

>  <Item Name> (927)
Estradiol Benzoate

>  <Catalog Number> (927)
S4110

>  <Synonyms> (927)
N/A

>  <Target> (927)
Estrogen/progestogen Receptor

>  <Form> (927)
Free Base

>  <URL> (927)
http://www.selleckchem.com/products/estradiol-benzoate.html

>  <CAS Number> (927)
50-50-0

$$$$
Aminosalicylate sodium.cdx
csChFnd80/01151910432D

 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
    4.6310    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  3  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  3  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (928)
928

>  <Formula> (928)
C7H6NNaO3

>  <MolWeight> (928)
175.11721

>  <Item Name> (928)
Sodium 4-Aminosalicylate

>  <Catalog Number> (928)
S4073

>  <Synonyms> (928)
N/A

>  <Target> (928)
NF-¦ÊB

>  <Form> (928)
Sodium Salt

>  <URL> (928)
http://www.selleckchem.com/products/aminosalicylate-sodium.html

>  <CAS Number> (928)
133-10-8

$$$$

csChFnd80/01151910432D

 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
    6.8506    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4445    5.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3369    8.9205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4181    5.7555    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
 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
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
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 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> (929)
929

>  <Formula> (929)
C16H14N2O3S

>  <MolWeight> (929)
314.35896

>  <Item Name> (929)
Valdecoxib

>  <Catalog Number> (929)
S4049

>  <Synonyms> (929)
SC-65872, YM-974

>  <Target> (929)
COX

>  <Form> (929)
Free Base

>  <URL> (929)
http://www.selleckchem.com/products/valdecoxib.html

>  <CAS Number> (929)
181695-72-7

$$$$
Bisacodyl.cdx
csChFnd80/01151910432D

 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
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    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
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    7.2620    8.3830    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
  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
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 26 27  2  0  0  0  0
 27  8  1  0  0  0  0
M  END
>  <Mol_ID> (930)
930

>  <Formula> (930)
C22H19NO4

>  <MolWeight> (930)
361.39056

>  <Item Name> (930)
Bisacodyl

>  <Catalog Number> (930)
S4047

>  <Synonyms> (930)
N/A

>  <Target> (930)
Others

>  <Form> (930)
Free Base

>  <URL> (930)
http://www.selleckchem.com/products/bisacodyl.html

>  <CAS Number> (930)
30652-11-0

$$$$
Carbimazole.cdx
csChFnd80/01151910432D

 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> (931)
931

>  <Formula> (931)
C7H10N2O2S

>  <MolWeight> (931)
186.2315

>  <Item Name> (931)
Carbimazole

>  <Catalog Number> (931)
S4048

>  <Synonyms> (931)
N/A

>  <Target> (931)
Others

>  <Form> (931)
Free Base

>  <URL> (931)
http://www.selleckchem.com/products/carbimazole.html

>  <CAS Number> (931)
22232-54-8

$$$$
Decamethonium bromide.cdx
csChFnd80/01151910432D

 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
  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
 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> (932)
932

>  <Formula> (932)
C16H38Br2N2

>  <MolWeight> (932)
418.29432

>  <Item Name> (932)
Decamethonium Bromide

>  <Catalog Number> (932)
S4072

>  <Synonyms> (932)
Syncurine

>  <Target> (932)
AChR

>  <Form> (932)
Bromide

>  <URL> (932)
http://www.selleckchem.com/products/decamethonium-bromide.html

>  <CAS Number> (932)
541-22-0

$$$$
Estradiol cypionate.cdx
csChFnd80/01151910432D

 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
    2.4185    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4185    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2682    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0590    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445    1.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2686    1.3951    0.0000 H   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
   10.3831    6.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7442    7.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3696    5.3353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7172    5.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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
 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> (933)
933

>  <Formula> (933)
C26H36O3

>  <MolWeight> (933)
396.56224

>  <Item Name> (933)
Estradiol Cypionate

>  <Catalog Number> (933)
S4046

>  <Synonyms> (933)
N/A

>  <Target> (933)
Estrogen/progestogen Receptor

>  <Form> (933)
Free Base

>  <URL> (933)
http://www.selleckchem.com/products/estradiol-cypionate.html

>  <CAS Number> (933)
313-06-4

$$$$
Griseofulvin.cdx
csChFnd80/01151910432D

 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
    6.1485    5.3221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4534    5.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5222    6.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  6  1  1  0  0  0  0
  4  7  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
 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> (934)
934

>  <Formula> (934)
C17H17ClO6

>  <MolWeight> (934)
352.76628

>  <Item Name> (934)
Griseofulvin

>  <Catalog Number> (934)
S4071

>  <Synonyms> (934)
N/A

>  <Target> (934)
Microtubule Associated

>  <Form> (934)
Free Base

>  <URL> (934)
http://www.selleckchem.com/products/griseofulvin.html

>  <CAS Number> (934)
126-07-8

$$$$
Guanidine HCl.cdx
csChFnd80/01151910432D

  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> (935)
935

>  <Formula> (935)
CH6ClN3

>  <MolWeight> (935)
95.53144

>  <Item Name> (935)
Guanidine (Aminoformamidine) HCl

>  <Catalog Number> (935)
S4070

>  <Synonyms> (935)
N/A

>  <Target> (935)
Others

>  <Form> (935)
Hydrochloride

>  <URL> (935)
http://www.selleckchem.com/products/guanidine-aminoformamidine-hcl.html

>  <CAS Number> (935)
50-01-1

$$$$
Mefenamic acid.cdx
csChFnd80/01151910432D

 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
    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
    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
 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
 13 17  1  0  0  0  0
 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> (936)
936

>  <Formula> (936)
C15H15NO2

>  <MolWeight> (936)
241.2851

>  <Item Name> (936)
Mefenamic Acid

>  <Catalog Number> (936)
S4078

>  <Synonyms> (936)
N/A

>  <Target> (936)
COX

>  <Form> (936)
Free Base

>  <URL> (936)
http://www.selleckchem.com/products/mefenamic-acid.html

>  <CAS Number> (936)
61-68-7

$$$$
Mequinol.cdx
csChFnd80/01151910432D

  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
  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
M  END
>  <Mol_ID> (937)
937

>  <Formula> (937)
C7H8O2

>  <MolWeight> (937)
124.13722

>  <Item Name> (937)
Mequinol

>  <Catalog Number> (937)
S4077

>  <Synonyms> (937)
N/A

>  <Target> (937)
Others

>  <Form> (937)
Free Base

>  <URL> (937)
http://www.selleckchem.com/products/mequinol.html

>  <CAS Number> (937)
150-76-5

$$$$
Sodium nitrite.cdx
csChFnd80/01151910432D

  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> (938)
938

>  <Formula> (938)
NNaO2

>  <MolWeight> (938)
68.99527

>  <Item Name> (938)
Sodium Nitrite

>  <Catalog Number> (938)
S4074

>  <Synonyms> (938)
N/A

>  <Target> (938)
Others

>  <Form> (938)
Sodium Salt

>  <URL> (938)
http://www.selleckchem.com/products/sodium-nitrite.html

>  <CAS Number> (938)
7632-00-0

$$$$
Pirarubicin.cdx
csChFnd80/01151910432D

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 30 25  1  0  0  0  0
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 31 32  2  0  0  0  0
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 34 29  1  0  0  0  0
 21 35  1  0  0  0  0
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 36 37  1  0  0  0  0
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 21 39  1  1  0  0  0
 17 40  1  6  0  0  0
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 30 43  2  0  0  0  0
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 11 47  1  1  0  0  0
M  END
>  <Mol_ID> (939)
939

>  <Formula> (939)
C32H37NO12

>  <MolWeight> (939)
627.63568

>  <Item Name> (939)
Pirarubicin

>  <Catalog Number> (939)
S1393

>  <Synonyms> (939)
N/A

>  <Target> (939)
Topoisomerase

>  <Form> (939)
Free Base

>  <URL> (939)
http://www.selleckchem.com/products/Pirarubicin.html

>  <CAS Number> (939)
72496-41-4

$$$$
valganciclovir hydrochloride.cdx
csChFnd80/01151910432D

 26 26  0  0  0  0  0  0  0  0999 V2000
   11.7965    0.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0090    0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7965    2.3905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  4  6  1  1  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (940)
940

>  <Formula> (940)
C14H25ClN6O5

>  <MolWeight> (940)
392.8385

>  <Item Name> (940)
Valganciclovir Hydrochloride

>  <Catalog Number> (940)
S4050

>  <Synonyms> (940)
N/A

>  <Target> (940)
Antifection

>  <Form> (940)
Hydrochloride

>  <URL> (940)
http://www.selleckchem.com/products/valganciclovir-hcl.html

>  <CAS Number> (940)
175865-59-5

$$$$
Escitalopram oxalate.cdx
csChFnd80/01151910432D

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.9597    5.5115    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
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 23 24  3  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> (941)
941

>  <Formula> (941)
C22H23FN2O5

>  <MolWeight> (941)
414.4268232

>  <Item Name> (941)
Escitalopram Oxalate

>  <Catalog Number> (941)
S4064

>  <Synonyms> (941)
S-(+)-Citalopram Oxalate

>  <Target> (941)
5-HT Receptor

>  <Form> (941)
Oxalate

>  <URL> (941)
http://www.selleckchem.com/products/escitalopram-oxalate.html

>  <CAS Number> (941)
219861-08-2

$$$$
Guanabenz acetate.cdx
csChFnd80/01151910432D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    4.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2167    6.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    3.5732    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.2167    0.0000    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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  5  9  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (942)
942

>  <Formula> (942)
C10H12Cl2N4O2

>  <MolWeight> (942)
291.13388

>  <Item Name> (942)
Guanabenz (WY-8678) Acetate

>  <Catalog Number> (942)
S4065

>  <Synonyms> (942)
N/A

>  <Target> (942)
Adrenergic Receptor

>  <Form> (942)
Acetate

>  <URL> (942)
http://www.selleckchem.com/products/guanabenz-wy-8678-acetate.html

>  <CAS Number> (942)
23256-50-0

$$$$
tinidazole.cdx
csChFnd80/01151910432D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (943)
943

>  <Formula> (943)
C8H13N3O4S

>  <MolWeight> (943)
247.27152

>  <Item Name> (943)
Tinidazole

>  <Catalog Number> (943)
S4068

>  <Synonyms> (943)
N/A

>  <Target> (943)
Antifection

>  <Form> (943)
Free Base

>  <URL> (943)
http://www.selleckchem.com/products/tinidazole.html

>  <CAS Number> (943)
19387-91-8

$$$$
Ticagrelor.cdx
csChFnd80/01151910432D

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 14  8  2  0  0  0  0
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 35 32  1  0  0  0  0
 34 33  1  0  0  0  0
 36 35  1  0  0  0  0
M  END
>  <Mol_ID> (944)
944

>  <Formula> (944)
C23H28F2N6O4S

>  <MolWeight> (944)
522.5680264

>  <Item Name> (944)
Ticagrelor

>  <Catalog Number> (944)
S4079

>  <Synonyms> (944)
AZD6140

>  <Target> (944)
P2 Receptor

>  <Form> (944)
Free Base

>  <URL> (944)
http://www.selleckchem.com/products/ticagrelor.html

>  <CAS Number> (944)
274693-27-5

$$$$
DYRENIUM (triamterene).cdx
csChFnd80/01151910432D

 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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    3.6331    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
    1.2082    2.1000    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
    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
    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 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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  5  6  2  0  0  0  0
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  3  7  1  0  0  0  0
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 10  4  1  0  0  0  0
  1 11  1  0  0  0  0
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 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (945)
945

>  <Formula> (945)
C12H11N7

>  <MolWeight> (945)
253.26264

>  <Item Name> (945)
Triamterene

>  <Catalog Number> (945)
S4080

>  <Synonyms> (945)
N/A

>  <Target> (945)
Sodium Channel

>  <Form> (945)
Free Base

>  <URL> (945)
http://www.selleckchem.com/products/triamterene.html

>  <CAS Number> (945)
396-01-0

$$$$
Ethambutol Hydrochloride.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (946)
946

>  <Formula> (946)
C10H26Cl2N2O2

>  <MolWeight> (946)
277.23164

>  <Item Name> (946)
Ethambutol HCl

>  <Catalog Number> (946)
S4004

>  <Synonyms> (946)
N/A

>  <Target> (946)
Antifection

>  <Form> (946)
Dihydrochloride

>  <URL> (946)
http://www.selleckchem.com/products/ethambutol-hcl.html

>  <CAS Number> (946)
1070-11-7

$$$$
EQUIPIN (homatropine methylbromide).cdx
csChFnd80/01151910432D

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 24 17  1  0  0  0  0
M  END
>  <Mol_ID> (947)
947

>  <Formula> (947)
C17H24BrNO3

>  <MolWeight> (947)
370.28136

>  <Item Name> (947)
Homatropine Methylbromide

>  <Catalog Number> (947)
S4024

>  <Synonyms> (947)
N/A

>  <Target> (947)
AChR

>  <Form> (947)
quaternary-N bromide salt

>  <URL> (947)
http://www.selleckchem.com/products/homatropine-methylbromide.html

>  <CAS Number> (947)
80-49-9

$$$$
Homatropine bromide.cdx
csChFnd80/01151910432D

 23 24  0  0  0  0  0  0  0  0999 V2000
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    1.2961    2.0163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750    0.0000    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  1  6  0  0  0
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  4  7  1  0  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> (948)
948

>  <Formula> (948)
C16H22BrNO3

>  <MolWeight> (948)
356.25478

>  <Item Name> (948)
Homatropine Bromide

>  <Catalog Number> (948)
S4025

>  <Synonyms> (948)
N/A

>  <Target> (948)
AChR

>  <Form> (948)
quaternary-N bromide salt

>  <URL> (948)
http://www.selleckchem.com/products/homatropine-bromide.html

>  <CAS Number> (948)
51-56-9

$$$$
Hydroxyzine dihydrochloride.cdx
csChFnd80/01151910432D

 28 28  0  0  0  0  0  0  0  0999 V2000
    8.9060    4.2083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1182    4.9082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6944    4.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3211    4.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1114    6.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6940    6.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
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  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
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  7 13  1  0  0  0  0
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 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
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 15 19  1  0  0  0  0
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 17 20  1  0  0  0  0
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 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
M  END
>  <Mol_ID> (949)
949

>  <Formula> (949)
C21H29Cl3N2O2

>  <MolWeight> (949)
447.82616

>  <Item Name> (949)
Hydroxyzine 2HCl

>  <Catalog Number> (949)
S4026

>  <Synonyms> (949)
N/A

>  <Target> (949)
Histamine Receptor

>  <Form> (949)
dihydrochloride

>  <URL> (949)
http://www.selleckchem.com/products/hydroxyzine-2hcl.html

>  <CAS Number> (949)
2192-20-3

$$$$
Aclidinium bromide.cdx
csChFnd80/01151910432D

 35 38  0  0  0  0  0  0  0  0999 V2000
    2.7630    6.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    5.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7333    5.3308    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    3.5288    7.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9371    7.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1955    6.0216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3968    5.3308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9553    7.1477    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4054    7.1477    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9464    4.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    3.9493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1238    5.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2198    4.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2495    9.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5466    5.3459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5954    5.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1087    7.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9223    4.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4930    2.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8416    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4601    1.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8745    2.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6526    2.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4272    0.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0641    2.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6346    1.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7844    7.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6024    3.3555    0.0000 Br  0  5  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  1  0  0  0  0
 21  1  1  0  0  0  0
  6  2  1  0  0  0  0
 11  2  2  0  0  0  0
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 24  3  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  8  4  1  0  0  0  0
 13  4  2  0  0  0  0
  9  5  1  0  0  0  0
 14  5  2  0  0  0  0
  7  6  1  6  0  0  0
 10  7  1  0  0  0  0
 12  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 12 34  1  6  0  0  0
 20 13  1  0  0  0  0
 19 14  1  0  0  0  0
 15 20  2  0  0  0  0
 19 16  2  0  0  0  0
 17 23  1  0  0  0  0
 18 22  1  0  0  0  0
 25 24  1  0  0  0  0
 28 25  1  0  0  0  0
 26 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 26  2  0  0  0  0
 27 28  1  0  0  0  0
 31 29  2  0  0  0  0
 32 30  1  0  0  0  0
 33 31  1  0  0  0  0
 33 32  2  0  0  0  0
M  END
>  <Mol_ID> (950)
950

>  <Formula> (950)
C26H30BrNO4S2

>  <MolWeight> (950)
564.5547

>  <Item Name> (950)
Aclidinium Bromide

>  <Catalog Number> (950)
S4031

>  <Synonyms> (950)
N/A

>  <Target> (950)
AChR

>  <Form> (950)
quaternary-N bromide salt

>  <URL> (950)
http://www.selleckchem.com/products/aclidinium-bromide.html

>  <CAS Number> (950)
320345-99-1

$$$$
Levodropropizine.cdx
csChFnd80/01151910432D

 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
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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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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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 N   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
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   10.8909    4.1976    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
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  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  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 15  1  1  0  0  0
M  END
>  <Mol_ID> (951)
951

>  <Formula> (951)
C13H20N2O2

>  <MolWeight> (951)
236.3101

>  <Item Name> (951)
Levodropropizine

>  <Catalog Number> (951)
S4131

>  <Synonyms> (951)
N/A

>  <Target> (951)
Histamine Receptor

>  <Form> (951)
Free Base

>  <URL> (951)
https://www.selleckchem.com/products/levodropropizine.html

>  <CAS Number> (951)
99291-25-5

$$$$
Pefloxacin mesylate dihydrate.cdx
csChFnd80/01151910432D

 31 30  0  0  0  0  0  0  0  0999 V2000
    7.2652    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    5.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    3.3661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    3.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6725    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    1.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4634    7.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363    5.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2380    1.2871    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  1  0  0  0  0
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  5 10  1  0  0  0  0
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  6 12  2  0  0  0  0
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  9 14  1  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  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
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  2  0  0  0  0
M  END
>  <Mol_ID> (952)
952

>  <Formula> (952)
C18H28FN3O8S

>  <MolWeight> (952)
465.4936232

>  <Item Name> (952)
Pefloxacin Mesylate Dihydrate

>  <Catalog Number> (952)
S4119

>  <Synonyms> (952)
N/A

>  <Target> (952)
Topoisomerase

>  <Form> (952)
Mesylate

>  <URL> (952)
https://www.selleckchem.com/products/pefloxacin-mesylate-dihydrate.html

>  <CAS Number> (952)
149676-40-4

$$$$
sodium phenylbutyrate.cdx
csChFnd80/01151910432D

 13 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
    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
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    8.4870    2.8000    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    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
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 Na  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
  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
  4  6  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (953)
953

>  <Formula> (953)
C10H11NaO2

>  <MolWeight> (953)
186.18291

>  <Item Name> (953)
Sodium Phenylbutyrate

>  <Catalog Number> (953)
S4125

>  <Synonyms> (953)
N/A

>  <Target> (953)
HDAC

>  <Form> (953)
Sodium Salt

>  <URL> (953)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

>  <CAS Number> (953)
1716-12-7

$$$$
Sulconazle Nitrate.cdx
csChFnd80/01151910432D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.2085    9.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    9.3131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    8.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    7.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.6297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5297    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    1.2124    3.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.8297    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.7297    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9117    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6992    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9117    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1241    0.0000    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
  1  5  1  0  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 13  1  0  0  0  0
  8 13  2  0  0  0  0
 11 14  1  0  0  0  0
  9 15  1  0  0  0  0
  7  8  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
 18 23  2  0  0  0  0
 16 17  1  0  0  0  0
 21 24  1  0  0  0  0
  7 16  1  0  0  0  0
  5  6  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (954)
954

>  <Formula> (954)
C18H16Cl3N3O3S

>  <MolWeight> (954)
460.76194

>  <Item Name> (954)
Sulconazole Nitrate

>  <Catalog Number> (954)
S4120

>  <Synonyms> (954)
N/A

>  <Target> (954)
Antifection

>  <Form> (954)
Nitrate

>  <URL> (954)
https://www.selleckchem.com/products/sulconazole-nitrate.html

>  <CAS Number> (954)
82382-23-8

$$$$
Tilmicosin.cdx
csChFnd80/01151910432D

 61 64  0  0  0  0  0  0  0  0999 V2000
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    6.7743    3.6011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2800    8.5476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2189    2.5432    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.1598    7.2878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   15.3998    8.6255    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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 50 52  1  0  0  0  0
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 56 60  1  6  0  0  0
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M  END
>  <Mol_ID> (955)
955

>  <Formula> (955)
C46H80N2O13

>  <MolWeight> (955)
869.133

>  <Item Name> (955)
Tilmicosin

>  <Catalog Number> (955)
S4122

>  <Synonyms> (955)
N/A

>  <Target> (955)
Antifection

>  <Form> (955)
Free Base

>  <URL> (955)
https://www.selleckchem.com/products/tilmicosin.html

>  <CAS Number> (955)
108050-54-0

$$$$
Timolol Maleate.cdx
csChFnd80/01151910432D

 29 29  0  0  0  0  0  0  0  0999 V2000
    2.7927    2.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2027    2.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    3.3974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6977    3.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8004    4.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
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M  END
>  <Mol_ID> (956)
956

>  <Formula> (956)
C17H28N4O7S

>  <MolWeight> (956)
432.49182

>  <Item Name> (956)
Timolol Maleate

>  <Catalog Number> (956)
S4123

>  <Synonyms> (956)
N/A

>  <Target> (956)
Adrenergic Receptor

>  <Form> (956)
Maleate

>  <URL> (956)
https://www.selleckchem.com/products/timolol-maleate.html

>  <CAS Number> (956)
26921-17-5

$$$$
Tolazoline HCl.cdx
csChFnd80/01151910432D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4321    2.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2173    2.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277    4.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    2.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0045    2.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    4.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1293    2.2240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9361    4.1397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0368    3.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3008    4.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3679    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
  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
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  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (957)
957

>  <Formula> (957)
C10H13ClN2

>  <MolWeight> (957)
196.67662

>  <Item Name> (957)
Tolazoline HCl

>  <Catalog Number> (957)
S4124

>  <Synonyms> (957)
N/A

>  <Target> (957)
Adrenergic Receptor

>  <Form> (957)
Hydrochloride

>  <URL> (957)
https://www.selleckchem.com/products/tolazoline-hcl.html

>  <CAS Number> (957)
59-97-2

$$$$
Troxipide.cdx
csChFnd80/01151910432D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8268    4.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077    4.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0414    4.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8268    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076    2.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6149    7.0046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8268    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3953    2.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4028    6.3048    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8268    0.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1829    2.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1839    4.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9022    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
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 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
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (958)
958

>  <Formula> (958)
C15H22N2O4

>  <MolWeight> (958)
294.34618

>  <Item Name> (958)
Troxipide

>  <Catalog Number> (958)
S4128

>  <Synonyms> (958)
N/A

>  <Target> (958)
Others

>  <Form> (958)
Free Base

>  <URL> (958)
https://www.selleckchem.com/products/troxipide.html

>  <CAS Number> (958)
30751-05-4

$$$$
Ampicillin trihydrate.cdx
csChFnd80/01151910432D

 28 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    0.0000 C   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    1.3951    0.0000 C   0  0  2  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
    6.0496    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6101    1.7304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9724    3.0827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6201    3.4450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3077    0.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7349    4.2568    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8539    5.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5469    4.8431    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2205    6.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0239    6.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2326    3.5908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1282    4.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8257    5.5380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8257    3.1216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8014    5.0677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7285    2.6615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6556    0.8385    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
  8 10  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
 14 11  1  0  0  0  0
  7 15  1  6  0  0  0
 11  9  1  1  0  0  0
 12 16  2  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 14  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 14 22  1  6  0  0  0
 17 23  1  6  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (959)
959

>  <Formula> (959)
C16H25N3O7S

>  <MolWeight> (959)
403.4506

>  <Item Name> (959)
Ampicillin Trihydrate

>  <Catalog Number> (959)
S4148

>  <Synonyms> (959)
N/A

>  <Target> (959)
Antifection

>  <Form> (959)
Free Base

>  <URL> (959)
http://www.selleckchem.com/products/ampicillin-trihydrate.html

>  <CAS Number> (959)
7177-48-2 

$$$$
Azithromycin dihydrate.cdx
csChFnd80/01151910432D

 54 54  0  0  0  0  0  0  0  0999 V2000
   13.1061    7.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1693    6.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8904    6.3813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4904    6.3813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2114    6.9507    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.6924   11.9273    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3924   10.7149    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5387    9.3226    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5598   12.7502    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    7.9911    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8301    9.3012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9883   10.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8210   12.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1904   13.0413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   14.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7328   12.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2543   11.8181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6177   10.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7382   10.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9922    5.8181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7540   10.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3885    5.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1904   14.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1019    3.6111    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7396    2.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7295    1.2688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.3212    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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 15  9  1  0  0  0  0
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  4 27  1  1  0  0  0
  5 28  1  0  0  0  0
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 30 31  1  0  0  0  0
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 35 30  1  0  0  0  0
 30 27  1  6  0  0  0
 34 36  1  1  0  0  0
 32 37  1  1  0  0  0
 33 38  1  6  0  0  0
 32 39  1  6  0  0  0
 39 40  1  0  0  0  0
 10 41  1  1  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
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 43 50  1  6  0  0  0
 49 51  1  0  0  0  0
 49 52  1  0  0  0  0
M  END
>  <Mol_ID> (960)
960

>  <Formula> (960)
C38H76N2O14

>  <MolWeight> (960)
785.01504

>  <Item Name> (960)
Azithromycin Dihydrate

>  <Catalog Number> (960)
S4147

>  <Synonyms> (960)
N/A

>  <Target> (960)
Antifection

>  <Form> (960)
Free Base

>  <URL> (960)
http://www.selleckchem.com/products/azithromycin-dihydrate.html

>  <CAS Number> (960)
117772-70-0

$$$$
Cyclizine 2HCl.cdx
csChFnd80/01151910432D

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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M  END
>  <Mol_ID> (961)
961

>  <Formula> (961)
C18H24Cl2N2

>  <MolWeight> (961)
339.30256

>  <Item Name> (961)
Cyclizine 2HCl

>  <Catalog Number> (961)
S4139

>  <Synonyms> (961)
N/A

>  <Target> (961)
Histamine Receptor

>  <Form> (961)
Hydrochloride

>  <URL> (961)
http://www.selleckchem.com/products/cyclizine-2hcl.html

>  <CAS Number> (961)
5897-18-7

$$$$
Dinitolmide.cdx
csChFnd80/01151910432D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (962)
962

>  <Formula> (962)
C8H7N3O5

>  <MolWeight> (962)
225.15828

>  <Item Name> (962)
Dinitolmide (Zoalene)

>  <Catalog Number> (962)
S4141

>  <Synonyms> (962)
N/A

>  <Target> (962)
Antifection

>  <Form> (962)
Free Base

>  <URL> (962)
http://www.selleckchem.com/products/dinitolmide-zoalene.html

>  <CAS Number> (962)
148-01-6

$$$$
Amfenac Sodium£¨monohydrate£©.cdx
csChFnd80/01151910432D

 21 20  0  0  0  0  0  0  0  0999 V2000
    2.4231    2.0984    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> (963)
963

>  <Formula> (963)
C15H14NNaO4

>  <MolWeight> (963)
295.26573

>  <Item Name> (963)
Amfenac Sodium (monohydrate)

>  <Catalog Number> (963)
S4149

>  <Synonyms> (963)
N/A

>  <Target> (963)
COX

>  <Form> (963)
Free Base

>  <URL> (963)
http://www.selleckchem.com/products/amfenac-sodium-monohydrate.html

>  <CAS Number> (963)
61618-27-7

$$$$
Benzydamine hydrochloride.cdx
csChFnd80/01151910432D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    7.8627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (964)
964

>  <Formula> (964)
C19H24ClN3O

>  <MolWeight> (964)
345.86636

>  <Item Name> (964)
Benzydamine Hydrochloride

>  <Catalog Number> (964)
S4165

>  <Synonyms> (964)
N/A

>  <Target> (964)
Immunology & Inflammation related

>  <Form> (964)
Hydrochloride

>  <URL> (964)
http://www.selleckchem.com/products/benzydamine-hcl.html

>  <CAS Number> (964)
132-69-4

$$$$
Betamipron.cdx
csChFnd80/01151910432D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (965)
965

>  <Formula> (965)
C10H11NO3

>  <MolWeight> (965)
193.19924

>  <Item Name> (965)
Betamipron

>  <Catalog Number> (965)
S4191

>  <Synonyms> (965)
N/A

>  <Target> (965)
Antifection

>  <Form> (965)
Free Base

>  <URL> (965)
http://www.selleckchem.com/products/betamipron.html

>  <CAS Number> (965)
3440-28-6

$$$$
RIMADYL (carprofen).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (966)
966

>  <Formula> (966)
C15H12ClNO2

>  <MolWeight> (966)
273.71428

>  <Item Name> (966)
Carprofen

>  <Catalog Number> (966)
S4136

>  <Synonyms> (966)
N/A

>  <Target> (966)
COX

>  <Form> (966)
Free Base

>  <URL> (966)
http://www.selleckchem.com/products/carprofen.html

>  <CAS Number> (966)
53716-49-7

$$$$
Cetylpyridinium chloride.cdx
csChFnd80/01151910432D

 23 22  0  0  0  0  0  0  0  0999 V2000
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    7.2599    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0475    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8351    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6226    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5853    4.1464    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  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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 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> (967)
967

>  <Formula> (967)
C21H38ClN

>  <MolWeight> (967)
339.98612

>  <Item Name> (967)
Cetylpyridinium Chloride

>  <Catalog Number> (967)
S4172

>  <Synonyms> (967)
N/A

>  <Target> (967)
Antifection

>  <Form> (967)
Chloride

>  <URL> (967)
http://www.selleckchem.com/products/cetylpyridinium-chloride.html

>  <CAS Number> (967)
123-03-5

$$$$
Chlorpropamide.cdx
csChFnd80/01151910432D

 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
    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    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5582    1.5949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1582    4.0198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9582    1.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6582    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6582    0.3824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0582    0.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    1.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1582    1.5949    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
 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
M  END
>  <Mol_ID> (968)
968

>  <Formula> (968)
C10H13ClN2O3S

>  <MolWeight> (968)
276.73982

>  <Item Name> (968)
Chlorpropamide

>  <Catalog Number> (968)
S4166

>  <Synonyms> (968)
N/A

>  <Target> (968)
Others

>  <Form> (968)
Free Base

>  <URL> (968)
http://www.selleckchem.com/products/chlorpropamide.html

>  <CAS Number> (968)
94-20-2

$$$$
Chlorquinaldol.cdx
csChFnd80/01151910432D

 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
    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 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    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
    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    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    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
    7.2746    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    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  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
  9 11  1  0  0  0  0
  2 12  1  0  0  0  0
  8 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (969)
969

>  <Formula> (969)
C10H7Cl2NO

>  <MolWeight> (969)
228.07468

>  <Item Name> (969)
Chlorquinaldol

>  <Catalog Number> (969)
S4192

>  <Synonyms> (969)
N/A

>  <Target> (969)
Antifection

>  <Form> (969)
Free Base

>  <URL> (969)
http://www.selleckchem.com/products/chlorquinaldol.html

>  <CAS Number> (969)
72-80-0

$$$$
Chlorzoxazone.cdx
csChFnd80/01151910432D

 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
    3.6184    2.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501    2.5181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4284    2.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7780    1.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1780    1.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7803    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  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
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (970)
970

>  <Formula> (970)
C7H4ClNO2

>  <MolWeight> (970)
169.56516

>  <Item Name> (970)
Chlorzoxazone

>  <Catalog Number> (970)
S4155

>  <Synonyms> (970)
N/A

>  <Target> (970)
P450 (e.g. CYP17)

>  <Form> (970)
Free Base

>  <URL> (970)
http://www.selleckchem.com/products/chlorzoxazone.html

>  <CAS Number> (970)
95-25-0

$$$$
Cinchophen.cdx
csChFnd80/01151910432D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.9000    1.2124    0.0000 N   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    2.4249    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    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    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
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.8497    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
  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
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  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  4 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
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (971)
971

>  <Formula> (971)
C16H11NO2

>  <MolWeight> (971)
249.26404

>  <Item Name> (971)
Cinchophen

>  <Catalog Number> (971)
S4190

>  <Synonyms> (971)
N/A

>  <Target> (971)
Others

>  <Form> (971)
Free Base

>  <URL> (971)
http://www.selleckchem.com/products/cinchophen.html

>  <CAS Number> (971)
132-60-5

$$$$
Climbazole.cdx
csChFnd80/01151910432D

 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
    8.5240    4.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.8687    2.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8687    4.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    4.8512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3825    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
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 10 11  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 15 16  1  0  0  0  0
 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> (972)
972

>  <Formula> (972)
C15H17ClN2O2

>  <MolWeight> (972)
292.76068

>  <Item Name> (972)
Climbazole

>  <Catalog Number> (972)
S4178

>  <Synonyms> (972)
N/A

>  <Target> (972)
Antifection

>  <Form> (972)
Free Base

>  <URL> (972)
http://www.selleckchem.com/products/climbazole.html

>  <CAS Number> (972)
38083-17-9

$$$$
Clofazimine.cdx
csChFnd80/01151910432D

 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
    2.4320    6.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    4.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0424    5.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    3.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    3.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    8.4052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0424    8.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8435    2.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869   11.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744   12.6114    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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 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
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 21 24  1  0  0  0  0
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M  END
>  <Mol_ID> (973)
973

>  <Formula> (973)
C27H22Cl2N4

>  <MolWeight> (973)
473.39638

>  <Item Name> (973)
Clofazimine

>  <Catalog Number> (973)
S4107

>  <Synonyms> (973)
N/A

>  <Target> (973)
Phospholipase (e.g. PLA)

>  <Form> (973)
Free Base

>  <URL> (973)
http://www.selleckchem.com/products/clofazimine.html

>  <CAS Number> (973)
2030-63-9

$$$$
Clorprenaline HCl.cdx
csChFnd80/01151910432D

 15 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (974)
974

>  <Formula> (974)
C11H17Cl2NO

>  <MolWeight> (974)
250.16478

>  <Item Name> (974)
Clorprenaline HCL

>  <Catalog Number> (974)
S4135

>  <Synonyms> (974)
N/A

>  <Target> (974)
Adrenergic Receptor

>  <Form> (974)
Hydrochloride

>  <URL> (974)
http://www.selleckchem.com/products/clorprenaline-hcl.html

>  <CAS Number> (974)
6933-90-0

$$$$
Closantel sodium.cdx
csChFnd80/01151910432D

 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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   12.1350    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3470    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    9.1079    0.0000 N   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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 27 30  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (975)
975

>  <Formula> (975)
C22H13Cl2I2N2NaO2

>  <MolWeight> (975)
685.05553

>  <Item Name> (975)
Closantel Sodium

>  <Catalog Number> (975)
S4105

>  <Synonyms> (975)
N/A

>  <Target> (975)
Antifection

>  <Form> (975)
Sodium Salt

>  <URL> (975)
http://www.selleckchem.com/products/closantel-sodium.html

>  <CAS Number> (975)
61438-64-0

$$$$
Coumarin.cdx
csChFnd80/01151910432D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6372    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.7999    0.0000 C   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
    0.0000    0.7000    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  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
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (976)
976

>  <Formula> (976)
C9H6O2

>  <MolWeight> (976)
146.14274

>  <Item Name> (976)
Coumarin

>  <Catalog Number> (976)
S4170

>  <Synonyms> (976)
N/A

>  <Target> (976)
PARP

>  <Form> (976)
Free Base

>  <URL> (976)
http://www.selleckchem.com/products/coumarin.html

>  <CAS Number> (976)
91-64-5

$$$$
Cyclandelate.cdx
csChFnd80/01151910432D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    1.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    3.4110    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1103    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0070    1.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (977)
977

>  <Formula> (977)
C17H24O3

>  <MolWeight> (977)
276.37066

>  <Item Name> (977)
Cyclandelate

>  <Catalog Number> (977)
S4189

>  <Target> (977)
Others

>  <Form> (977)
Free Base

>  <URL> (977)
http://www.selleckchem.com/products/cyclandelate.html

>  <CAS Number> (977)
456-59-7

$$$$
Cyromazine.cdx
csChFnd80/01151910432D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.3958    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    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
  6  7  1  0  0  0  0
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  2  9  1  0  0  0  0
  4 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
M  END
>  <Mol_ID> (978)
978

>  <Formula> (978)
C6H10N6

>  <MolWeight> (978)
166.1838

>  <Item Name> (978)
Cyromazine

>  <Catalog Number> (978)
S4167

>  <Synonyms> (978)
N/A

>  <Target> (978)
Antifection

>  <Form> (978)
Free base

>  <URL> (978)
http://www.selleckchem.com/products/cyromazine.html

>  <CAS Number> (978)
66215-27-8

$$$$
Dexlansoprazole.cdx
csChFnd80/01151910432D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    3.6241    2.7984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15  8  1  6  0  0  0
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 15 17  2  0  0  0  0
 16 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  1  0  0  0  0
 19 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
M  END
>  <Mol_ID> (979)
979

>  <Formula> (979)
C16H14F3N3O2S

>  <MolWeight> (979)
369.3614696

>  <Item Name> (979)
Dexlansoprazole

>  <Catalog Number> (979)
S4099

>  <Synonyms> (979)
N/A

>  <Target> (979)
Proton Pump

>  <Form> (979)
Free Base

>  <URL> (979)
http://www.selleckchem.com/products/dexlansoprazole.html

>  <CAS Number> (979)
138530-94-6

$$$$
Doxofylline.cdx
csChFnd80/01151910432D

 19 21  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 N   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
    4.9646    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    3.9278    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
    0.0000    4.1927    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
    5.3957    5.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604    5.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8008    4.6079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0132    5.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7221    6.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3298    6.8237    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
  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
  1 11  1  0  0  0  0
  6 12  2  0  0  0  0
  2 13  2  0  0  0  0
  9 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 15  1  0  0  0  0
M  END
>  <Mol_ID> (980)
980

>  <Formula> (980)
C11H14N4O4

>  <MolWeight> (980)
266.25326

>  <Item Name> (980)
Doxofylline

>  <Catalog Number> (980)
S4164

>  <Synonyms> (980)
N/A

>  <Target> (980)
PDE

>  <Form> (980)
Free Base

>  <URL> (980)
http://www.selleckchem.com/products/doxofylline.html

>  <CAS Number> (980)
69975-86-6

$$$$
Dropropizine.cdx
csChFnd80/01151910432D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    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
    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 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 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
    7.0000    1.2124    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
    8.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    2.4249    0.0000 C   0  0  3  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
   10.5000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    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  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
  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  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
M  END
>  <Mol_ID> (981)
981

>  <Formula> (981)
C13H20N2O2

>  <MolWeight> (981)
236.3101

>  <Item Name> (981)
Dropropizine

>  <Catalog Number> (981)
S4138

>  <Synonyms> (981)
N/A

>  <Target> (981)
Others

>  <Form> (981)
Free Base

>  <URL> (981)
http://www.selleckchem.com/products/dropropizine.html

>  <CAS Number> (981)
17692-31-8

$$$$
Ethamsylate.cdx
csChFnd80/01151910432D

 17 16  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402    3.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    1.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.2070    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6547    3.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2278    4.0077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8527    1.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9093    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5093    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8683    3.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0651    1.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6964    5.8225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4840    6.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9088    6.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2715    5.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1213    5.8225    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  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  2  0  0  0  0
 13 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
M  END
>  <Mol_ID> (982)
982

>  <Formula> (982)
C10H17NO5S

>  <MolWeight> (982)
263.31068

>  <Item Name> (982)
Ethamsylate

>  <Catalog Number> (982)
S4152

>  <Synonyms> (982)
N/A

>  <Target> (982)
Immunology & Inflammation related

>  <Form> (982)
Diethylamine

>  <URL> (982)
http://www.selleckchem.com/products/ethamsylate.html

>  <CAS Number> (982)
2624-44-4

$$$$
isovaleramide.cdx
csChFnd80/01151910432D

  7  6  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
    1.2167    2.1024    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 N   0  0  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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (983)
983

>  <Formula> (983)
C5H11NO

>  <MolWeight> (983)
101.14694

>  <Item Name> (983)
Isovaleramide

>  <Catalog Number> (983)
S4116

>  <Synonyms> (983)
N/A

>  <Target> (983)
Dehydrogenase

>  <Form> (983)
Free Base

>  <URL> (983)
http://www.selleckchem.com/products/isovaleramide.html

>  <CAS Number> (983)
541-46-8

$$$$
Mezlocillin sodium.cdx
csChFnd80/01151910432D

 38 40  0  0  0  0  0  0  0  0999 V2000
    2.5580    8.5059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8524    7.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2499    6.9900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8173    8.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7723    9.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9184    6.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    9.0725    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9493    5.7786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2505    4.5682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3493    5.7786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125    7.7935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455   10.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0473    4.5697    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4499    4.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3498    3.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502    3.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2507    2.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9548    0.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3586    0.9277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0581    2.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1514    5.7847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1472    3.3618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5505    3.3618    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5449    2.3764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5356    3.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5398    4.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5398    5.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1846    1.1268    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5618    1.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7819    2.7941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4148    1.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9934    3.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6715    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9598    1.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2048    2.7941    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.9934    4.8923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1729    3.1432    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  1  1  0  0  0  0
  2  6  2  0  0  0  0
  1  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
  7 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  6  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
 15 23  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 24  1  0  0  0  0
 27 28  2  0  0  0  0
 25 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
 24 23  1  1  0  0  0
 25 32  1  6  0  0  0
 31 33  1  6  0  0  0
 30 34  1  0  0  0  0
 30 35  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  2  0  0  0  0
M  END
>  <Mol_ID> (984)
984

>  <Formula> (984)
C21H24N5NaO8S2

>  <MolWeight> (984)
561.56373

>  <Item Name> (984)
Mezlocillin Sodium

>  <Catalog Number> (984)
S4179

>  <Synonyms> (984)
N/A

>  <Target> (984)
Antifection

>  <Form> (984)
Sodium Salt

>  <URL> (984)
http://www.selleckchem.com/products/mezlocillin-sodium.html

>  <CAS Number> (984)
42057-22-7

$$$$
nifuroxazide.cdx
csChFnd80/01151910432D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4032    3.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032    2.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    1.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    4.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    1.3875    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4204    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6503    1.6993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0454    1.6993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7430    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1382    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0454    4.1158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8382    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2382    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9382    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2382    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8382    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3333    2.9075    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  1  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  4  9  1  0  0  0  0
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M  END
>  <Mol_ID> (985)
985

>  <Formula> (985)
C12H9N3O5

>  <MolWeight> (985)
275.21696

>  <Item Name> (985)
Nifuroxazide

>  <Catalog Number> (985)
S4182

>  <Synonyms> (985)
N/A

>  <Target> (985)
STAT

>  <Form> (985)
Free Base

>  <URL> (985)
http://www.selleckchem.com/products/nifuroxazide.html

>  <CAS Number> (985)
965-52-6

$$$$
Penciclovir.cdx
csChFnd80/01151910432D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (986)
986

>  <Formula> (986)
C10H15N5O3

>  <MolWeight> (986)
253.2578

>  <Item Name> (986)
Penciclovir

>  <Catalog Number> (986)
S4184

>  <Synonyms> (986)
N/A

>  <Target> (986)
Antifection

>  <Form> (986)
Free Base

>  <URL> (986)
http://www.selleckchem.com/products/penciclovir.html

>  <CAS Number> (986)
39809-25-1

$$$$
penfluridol.cdx
csChFnd80/01151910432D

 36 39  0  0  0  0  0  0  0  0999 V2000
    4.2106    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2540    8.5829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8572    4.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (987)
987

>  <Formula> (987)
C28H27ClF5NO

>  <MolWeight> (987)
523.965096

>  <Item Name> (987)
Penfluridol

>  <Catalog Number> (987)
S4151

>  <Synonyms> (987)
TLP-607

>  <Target> (987)
Dopamine Receptor

>  <Form> (987)
Free Base

>  <URL> (987)
http://www.selleckchem.com/products/penfluridol.html

>  <CAS Number> (987)
26864-56-2

$$$$
Salicylanilide.cdx
csChFnd80/01151910432D

 16 17  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
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    0.7000    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
    4.9000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    3.6373    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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M  END
>  <Mol_ID> (988)
988

>  <Formula> (988)
C13H11NO2

>  <MolWeight> (988)
213.23194

>  <Item Name> (988)
Salicylanilide

>  <Catalog Number> (988)
S4187

>  <Synonyms> (988)
N/A

>  <Target> (988)
Reverse Transcriptase

>  <Form> (988)
Free Base

>  <URL> (988)
http://www.selleckchem.com/products/salicylanilide.html

>  <CAS Number> (988)
87-17-2

$$$$
Sasapyrine.cdx
csChFnd80/01151910432D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    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 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
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    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (989)
989

>  <Formula> (989)
C14H10O5

>  <MolWeight> (989)
258.2262

>  <Item Name> (989)
Sasapyrine

>  <Catalog Number> (989)
S4188

>  <Synonyms> (989)
N/A

>  <Target> (989)
COX

>  <Form> (989)
Free Base

>  <URL> (989)
http://www.selleckchem.com/products/sasapyrine.html

>  <CAS Number> (989)
552-94-3

$$$$
Sulfaguanidine.cdx
csChFnd80/01151910432D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.4000    4.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4061    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> (990)
990

>  <Formula> (990)
C7H10N4O2S

>  <MolWeight> (990)
214.2449

>  <Item Name> (990)
Sulfaguanidine

>  <Catalog Number> (990)
S4175

>  <Synonyms> (990)
N/A

>  <Target> (990)
Antifection

>  <Form> (990)
Free Base

>  <URL> (990)
http://www.selleckchem.com/products/sulfaguanidine.html

>  <CAS Number> (990)
57-67-0

$$$$
tiratricol.cdx
csChFnd80/01151910432D

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    7.2620    0.0000    0.0000 I   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
   10.8909    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    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
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  6  1  1  0  0  0  0
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 11 17  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
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (991)
991

>  <Formula> (991)
C14H9I3O4

>  <MolWeight> (991)
621.93227

>  <Item Name> (991)
Tiratricol

>  <Catalog Number> (991)
S4185

>  <Synonyms> (991)
N/A

>  <Target> (991)
Others

>  <Form> (991)
Free Base

>  <URL> (991)
http://www.selleckchem.com/products/tiratricol.html

>  <CAS Number> (991)
51-24-1

$$$$
triclabendazole.cdx
csChFnd80/01151910432D

 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
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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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    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   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
    9.8059    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0239    2.7951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7215    4.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    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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  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  8 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  8  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (992)
992

>  <Formula> (992)
C14H9Cl3N2OS

>  <MolWeight> (992)
359.65806

>  <Item Name> (992)
Triclabendazole

>  <Catalog Number> (992)
S4114

>  <Synonyms> (992)
N/A

>  <Target> (992)
Microtubule Associated

>  <Form> (992)
Free Base

>  <URL> (992)
http://www.selleckchem.com/products/triclabendazole.html

>  <CAS Number> (992)
68786-66-3

$$$$
Trometamol.cdx
csChFnd80/01151910432D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.1000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    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
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (993)
993

>  <Formula> (993)
C4H11NO3

>  <MolWeight> (993)
121.13504

>  <Item Name> (993)
Trometamol

>  <Catalog Number> (993)
S4176

>  <Synonyms> (993)
N/A

>  <Target> (993)
COX

>  <Form> (993)
Free Base

>  <URL> (993)
http://www.selleckchem.com/products/trometamol.html

>  <CAS Number> (993)
77-86-1

$$$$
Uracil.cdx
csChFnd80/01151910432D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4267    2.0984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2161    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2161    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7016    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  2  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> (994)
994

>  <Formula> (994)
C4H4N2O2

>  <MolWeight> (994)
112.08676

>  <Item Name> (994)
Uracil

>  <Catalog Number> (994)
S4177

>  <Synonyms> (994)
N/A

>  <Target> (994)
Others

>  <Form> (994)
Free Base

>  <URL> (994)
http://www.selleckchem.com/products/uracil.html

>  <CAS Number> (994)
66-22-8

$$$$
Primaquine diphosphate.cdx
csChFnd80/01151910432D

 29 28  0  0  0  0  0  0  0  0999 V2000
    4.8287    6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    5.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    3.4174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    7.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8329    1.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4174    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  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  5  1  0  0  0  0
  3 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 21 24  1  0  0  0  0
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 26 28  2  0  0  0  0
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M  END
>  <Mol_ID> (995)
995

>  <Formula> (995)
C15H27N3O9P2

>  <MolWeight> (995)
455.337102

>  <Item Name> (995)
Primaquine Diphosphate

>  <Catalog Number> (995)
S4237

>  <Synonyms> (995)
N/A

>  <Target> (995)
Antifection

>  <Form> (995)
Diphosphate

>  <URL> (995)
http://www.selleckchem.com/products/primaquine-diphosphate.html

>  <CAS Number> (995)
63-45-6

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/01151910432D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.1947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5124    3.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    4.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7325    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1325    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8300    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2252    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1325    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9228    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
  8  9  1  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
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (996)
996

>  <Formula> (996)
C16H19N3O4S

>  <MolWeight> (996)
349.40476

>  <Item Name> (996)
Resminostat (RAS2410)

>  <Catalog Number> (996)
S2693

>  <Synonyms> (996)
4SC-201, BYK408740

>  <Target> (996)
HDAC

>  <Form> (996)
Free Base

>  <URL> (996)
http://www.selleckchem.com/products/resminostat-ras2410.html

>  <CAS Number> (996)
864814-88-0

$$$$
Aminothiazole.cdx
csChFnd80/01151910432D

  6  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.8326    0.0000 C   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 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    1.1326    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  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (997)
997

>  <Formula> (997)
C3H4N2S

>  <MolWeight> (997)
100.14226

>  <Item Name> (997)
Aminothiazole

>  <Catalog Number> (997)
S4198

>  <Synonyms> (997)
N/A

>  <Target> (997)
Antifection

>  <Form> (997)
Free Base

>  <URL> (997)
http://www.selleckchem.com/products/aminothiazole.html

>  <CAS Number> (997)
96-50-4

$$$$
Bemegride.cdx
csChFnd80/01151910432D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    5.1797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5239    1.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3174    1.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0011    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
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M  END
>  <Mol_ID> (998)
998

>  <Formula> (998)
C8H13NO2

>  <MolWeight> (998)
155.19432

>  <Item Name> (998)
Bemegride

>  <Catalog Number> (998)
S4197

>  <Synonyms> (998)
N/A

>  <Target> (998)
GABA Receptor

>  <Form> (998)
Free Base

>  <URL> (998)
http://www.selleckchem.com/products/bemegride.html

>  <CAS Number> (998)
64-65-3

$$$$
Bergapten.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (999)
999

>  <Formula> (999)
C12H8O4

>  <MolWeight> (999)
216.18952

>  <Item Name> (999)
Bergapten

>  <Catalog Number> (999)
S4239

>  <Synonyms> (999)
N/A

>  <Target> (999)
DNA/RNA Synthesis

>  <Form> (999)
Free Base

>  <URL> (999)
http://www.selleckchem.com/products/bergapten.html

>  <CAS Number> (999)
484-20-8

$$$$
Broxyquinoline.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,000)
1000

>  <Formula> (1,000)
C9H5Br2NO

>  <MolWeight> (1,000)
302.9501

>  <Item Name> (1,000)
Broxyquinoline

>  <Catalog Number> (1,000)
S4195

>  <Synonyms> (1,000)
N/A

>  <Target> (1,000)
Antifection

>  <Form> (1,000)
Free Base

>  <URL> (1,000)
http://www.selleckchem.com/products/broxyquinoline.html

>  <CAS Number> (1,000)
521-74-4

$$$$
Cepharanthine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,001)
1001

>  <Formula> (1,001)
C37H38N2O6

>  <MolWeight> (1,001)
606.70742

>  <Item Name> (1,001)
Cepharanthine

>  <Catalog Number> (1,001)
S4238

>  <Synonyms> (1,001)
N/A

>  <Target> (1,001)
TNF-alpha

>  <Form> (1,001)
Free Base

>  <URL> (1,001)
http://www.selleckchem.com/products/cepharanthine.html

>  <CAS Number> (1,001)
481-49-2

$$$$
Deoxycorticosterone acetate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,002)
1002

>  <Formula> (1,002)
C23H32O4

>  <MolWeight> (1,002)
372.49778

>  <Item Name> (1,002)
Deoxycorticosterone acetate

>  <Catalog Number> (1,002)
S4243

>  <Synonyms> (1,002)
N/A

>  <Target> (1,002)
Adrenergic Receptor

>  <Form> (1,002)
Free Base

>  <URL> (1,002)
http://www.selleckchem.com/products/deoxycorticosterone-acetate.html

>  <CAS Number> (1,002)
56-47-3

$$$$
dirithromycin.cdx
csChFnd80/01151910432D

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   12.1075    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.3200    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.3200    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   16.9573    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1075    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
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 13  8  1  6  0  0  0
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 27 50  1  0  0  0  0
 50 21  1  0  0  0  0
 50 51  1  6  0  0  0
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 25 28  1  6  0  0  0
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M  END
>  <Mol_ID> (1,003)
1003

>  <Formula> (1,003)
C42H78N2O14

>  <MolWeight> (1,003)
835.07372

>  <Item Name> (1,003)
Dirithromycin

>  <Catalog Number> (1,003)
S4213

>  <Synonyms> (1,003)
N/A

>  <Target> (1,003)
Antifection

>  <Form> (1,003)
Free Base

>  <URL> (1,003)
http://www.selleckchem.com/products/dirithromycin.html

>  <CAS Number> (1,003)
62013-04-1

$$$$
domiphen bromide.cdx
csChFnd80/01151910432D

 25 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5722    3.4537    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
  4  5  1  0  0  0  0
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  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
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M  END
>  <Mol_ID> (1,004)
1004

>  <Formula> (1,004)
C22H40BrNO

>  <MolWeight> (1,004)
414.4631

>  <Item Name> (1,004)
Domiphen Bromide

>  <Catalog Number> (1,004)
S4186

>  <Synonyms> (1,004)
N/A

>  <Target> (1,004)
Others

>  <Form> (1,004)
Free Base

>  <URL> (1,004)
http://www.selleckchem.com/products/domiphen-bromide.html

>  <CAS Number> (1,004)
538-71-6

$$$$
Doxylamine succinate.cdx
csChFnd80/01151910432D

 28 28  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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13  8  1  0  0  0  0
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  7 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,005)
1005

>  <Formula> (1,005)
C21H28N2O5

>  <MolWeight> (1,005)
388.45742

>  <Item Name> (1,005)
Doxylamine Succinate

>  <Catalog Number> (1,005)
S4240

>  <Synonyms> (1,005)
N/A

>  <Target> (1,005)
Histamine Receptor

>  <Form> (1,005)
Succinate

>  <URL> (1,005)
http://www.selleckchem.com/products/doxylamine-succinate.html

>  <CAS Number> (1,005)
562-10-7

$$$$
Ethacridine lactate monohydrate.cdx
csChFnd80/01151910432D

 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
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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> (1,006)
1006

>  <Formula> (1,006)
C18H23N3O5

>  <MolWeight> (1,006)
361.39232

>  <Item Name> (1,006)
Ethacridine lactate monohydrate

>  <Catalog Number> (1,006)
S4196

>  <Synonyms> (1,006)
N/A

>  <Target> (1,006)
Antifection

>  <Form> (1,006)
Lactate

>  <URL> (1,006)
http://www.selleckchem.com/products/ethacridine-lactate-monohydrate.html

>  <CAS Number> (1,006)
6402-23-9

$$$$
Florfenicol.cdx
csChFnd80/01151910432D

 21 21  0  0  0  0  0  0  0  0999 V2000
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   10.9204    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    0.0000    0.0000 Cl  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
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    0.0000    4.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.4173    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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  9 16  1  1  0  0  0
  8 18  1  6  0  0  0
  7 19  1  0  0  0  0
  7 20  2  0  0  0  0
  7 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,007)
1007

>  <Formula> (1,007)
C12H14Cl2FNO4S

>  <MolWeight> (1,007)
358.2132632

>  <Item Name> (1,007)
Florfenicol

>  <Catalog Number> (1,007)
S4201

>  <Synonyms> (1,007)
N/A

>  <Target> (1,007)
Antifection

>  <Form> (1,007)
Free Base

>  <URL> (1,007)
http://www.selleckchem.com/products/florfenicol.html

>  <CAS Number> (1,007)
73231-34-2

$$$$
Furaltadone HCl.cdx
csChFnd80/01151910432D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8819    4.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1237    3.8526    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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 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,008)
1008

>  <Formula> (1,008)
C13H17ClN4O6

>  <MolWeight> (1,008)
360.75028

>  <Item Name> (1,008)
Furaltadone HCl

>  <Catalog Number> (1,008)
S4203

>  <Synonyms> (1,008)
N/A

>  <Target> (1,008)
Antifection

>  <Form> (1,008)
Hydrochloride

>  <URL> (1,008)
http://www.selleckchem.com/products/furaltadone-hcl.html

>  <CAS Number> (1,008)
3759-92-0

$$$$
Nicardipine hydrochloride.cdx
csChFnd80/01151910432D

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   16.9320    2.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    4.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7196    5.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5071    4.3142    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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 32 27  1  0  0  0  0
  9 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,009)
1009

>  <Formula> (1,009)
C26H30ClN3O6

>  <MolWeight> (1,009)
515.9859

>  <Item Name> (1,009)
Nicardipine HCl

>  <Catalog Number> (1,009)
S4181

>  <Synonyms> (1,009)
N/A

>  <Target> (1,009)
Calcium Channel

>  <Form> (1,009)
Hydrochloride

>  <URL> (1,009)
http://www.selleckchem.com/products/nicardipine-hcl.html

>  <CAS Number> (1,009)
54527-84-3

$$$$
Phenazopyridine hydrochloride.cdx
csChFnd80/01151910432D

 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
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    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
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    7.2620    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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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M  END
>  <Mol_ID> (1,010)
1010

>  <Formula> (1,010)
C11H12ClN5

>  <MolWeight> (1,010)
249.69948

>  <Item Name> (1,010)
Phenazopyridine HCl

>  <Catalog Number> (1,010)
S4235

>  <Synonyms> (1,010)
N/A

>  <Target> (1,010)
Sodium Channel

>  <Form> (1,010)
Hydrochloride

>  <URL> (1,010)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (1,010)
136-40-3

$$$$
Serotonin hydrochloride.cdx
csChFnd80/01151910432D

 14 14  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  END
>  <Mol_ID> (1,011)
1011

>  <Formula> (1,011)
C10H13ClN2O

>  <MolWeight> (1,011)
212.67602

>  <Item Name> (1,011)
Serotonin HCl

>  <Catalog Number> (1,011)
S4244

>  <Synonyms> (1,011)
N/A

>  <Target> (1,011)
5-HT Receptor

>  <Form> (1,011)
Hydrochloride

>  <URL> (1,011)
http://www.selleckchem.com/products/serotonin-hcl.html

>  <CAS Number> (1,011)
153-98-0

$$$$
sucralose.cdx
csChFnd80/01151910432D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 12  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,012)
1012

>  <Formula> (1,012)
C12H19Cl3O8

>  <MolWeight> (1,012)
397.63346

>  <Item Name> (1,012)
Sucralose

>  <Catalog Number> (1,012)
S4214

>  <Synonyms> (1,012)
N/A

>  <Target> (1,012)
Others

>  <Form> (1,012)
Free Base

>  <URL> (1,012)
http://www.selleckchem.com/products/sucralose.html

>  <CAS Number> (1,012)
56038-13-2

$$$$
teriflunomide.cdx
csChFnd80/01151910432D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  8 11  1  0  0  0  0
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 18 19  3  0  0  0  0
M  END
>  <Mol_ID> (1,013)
1013

>  <Formula> (1,013)
C12H9F3N2O2

>  <MolWeight> (1,013)
270.2072696

>  <Item Name> (1,013)
Teriflunomide

>  <Catalog Number> (1,013)
S4169

>  <Synonyms> (1,013)
N/A

>  <Target> (1,013)
Dehydrogenase,Immunology & Inflammation

>  <Form> (1,013)
Free Base

>  <URL> (1,013)
http://www.selleckchem.com/products/teriflunomide.html

>  <CAS Number> (1,013)
108605-62-5

$$$$
Valnemulin HCl.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,014)
1014

>  <Formula> (1,014)
C31H53ClN2O5S

>  <MolWeight> (1,014)
601.28092

>  <Item Name> (1,014)
Valnemulin HCl

>  <Catalog Number> (1,014)
S4216

>  <Synonyms> (1,014)
N/A

>  <Target> (1,014)
Antifection

>  <Form> (1,014)
Hydrochloride

>  <URL> (1,014)
http://www.selleckchem.com/products/valnemulin-hcl.html

>  <CAS Number> (1,014)
133868-46-9

$$$$
cetrimonium bromide.cdx
csChFnd80/01151910432D

 21 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,015)
1015

>  <Formula> (1,015)
C19H42BrN

>  <MolWeight> (1,015)
364.44748

>  <Item Name> (1,015)
Cetrimonium Bromide

>  <Catalog Number> (1,015)
S4242

>  <Synonyms> (1,015)
N/A

>  <Target> (1,015)
Antifection

>  <Form> (1,015)
Free Base

>  <URL> (1,015)
http://www.selleckchem.com/products/cetrimonium-bromide.html

>  <CAS Number> (1,015)
57-09-0

$$$$
Difluprednate.cdx
csChFnd80/01151910432D

 38 41  0  0  0  0  0  0  0  0999 V2000
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>  <Target> (1,016)
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Free Base

>  <URL> (1,016)
http://www.selleckchem.com/products/difluprednate.html

>  <CAS Number> (1,016)
23674-86-4

$$$$
Diminazene aceturate.cdx
csChFnd80/01151910432D

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1017

>  <Formula> (1,017)
C22H29N9O6

>  <MolWeight> (1,017)
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>  <Item Name> (1,017)
Diminazene Aceturate

>  <Catalog Number> (1,017)
S4104

>  <Synonyms> (1,017)
N/A

>  <Target> (1,017)
Others

>  <Form> (1,017)
Aceturate

>  <URL> (1,017)
http://www.selleckchem.com/products/diminazene-aceturate.html

>  <CAS Number> (1,017)
908-54-3

$$$$
Droperidol.cdx
csChFnd80/01151910432D

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>  <Formula> (1,018)
C22H22FN3O2

>  <MolWeight> (1,018)
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>  <Item Name> (1,018)
Droperidol

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S4096

>  <Synonyms> (1,018)
N/A

>  <Target> (1,018)
Dopamine Receptor

>  <Form> (1,018)
Free Base

>  <URL> (1,018)
http://www.selleckchem.com/products/droperidol.html

>  <CAS Number> (1,018)
548-73-2

$$$$
Eprosartan mesylate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,019)
1019

>  <Formula> (1,019)
C24H28N2O7S2

>  <MolWeight> (1,019)
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>  <Item Name> (1,019)
Eprosartan Mesylate

>  <Catalog Number> (1,019)
S4102

>  <Synonyms> (1,019)
N/A

>  <Target> (1,019)
RAAS

>  <Form> (1,019)
Mesylate

>  <URL> (1,019)
http://www.selleckchem.com/products/eprosartan-mesylate.html

>  <CAS Number> (1,019)
144143-96-4 

$$$$
Esmolol hydrochloride.cdx
csChFnd80/01151910432D

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 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> (1,020)
1020

>  <Formula> (1,020)
C16H26ClNO4

>  <MolWeight> (1,020)
331.83494

>  <Item Name> (1,020)
Esmolol HCl

>  <Catalog Number> (1,020)
S4100

>  <Synonyms> (1,020)
N/A

>  <Target> (1,020)
Adrenergic Receptor

>  <Form> (1,020)
Hydrochloride

>  <URL> (1,020)
http://www.selleckchem.com/products/esmolol-hcl.html

>  <CAS Number> (1,020)
81161-17-3, 81147-92-4(free base)

$$$$
Fenspiride hydrochloride.cdx
csChFnd80/01151910432D

 20 21  0  0  0  0  0  0  0  0999 V2000
   10.2709    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6709    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5709    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2709    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6709    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3709    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1758    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4782    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0831    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3831    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2831    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.9006    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  2  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
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 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  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,021)
1021

>  <Formula> (1,021)
C15H21ClN2O2

>  <MolWeight> (1,021)
296.79244

>  <Item Name> (1,021)
Fenspiride HCl 
Fenspiride HCl

>  <Catalog Number> (1,021)
S4090

>  <Synonyms> (1,021)
N/A

>  <Target> (1,021)
Phospholipase (e.g. PLA)

>  <Form> (1,021)
Hydrochloride

>  <URL> (1,021)
http://www.selleckchem.com/products/Fenspiride-hcl.html

>  <CAS Number> (1,021)
5053-08-7, 5053-06-5(free base)

$$$$
flumethasone.cdx
csChFnd80/01151910432D

 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
    4.8455    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  2  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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   10.3977    7.6447    0.0000 O   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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    6.0580    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9798    6.2460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.7951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    4.8951    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
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 12 23  1  1  0  0  0
 14 24  1  1  0  0  0
  5 25  1  1  0  0  0
  9 26  1  1  0  0  0
 17 27  1  6  0  0  0
  7 28  1  6  0  0  0
 10 29  1  6  0  0  0
 11 30  1  6  0  0  0
 16 31  1  6  0  0  0
 17 19  1  1  0  0  0
M  END
>  <Mol_ID> (1,022)
1022

>  <Formula> (1,022)
C22H28F2O5

>  <MolWeight> (1,022)
410.4515264

>  <Item Name> (1,022)
Flumethasone

>  <Catalog Number> (1,022)
S4088

>  <Synonyms> (1,022)
N/A

>  <Target> (1,022)
Glucocorticoid Receptor

>  <Form> (1,022)
Free Base

>  <URL> (1,022)
http://www.selleckchem.com/products/flumethasone.html

>  <CAS Number> (1,022)
2135-17-3

$$$$
Halcinonide.cdx
csChFnd80/01151910432D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.2047    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2047    0.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    2.1103    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4236    2.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8133    0.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9663    0.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9455    1.9838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7769    2.7939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3120    2.6468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2643    4.0515    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0659    4.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8131    4.1131    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5505    2.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4369    3.2402    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6692    4.4339    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6320    5.5116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6232    6.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4881    4.1154    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9928    0.9715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8295    5.0968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8060    3.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9339    4.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3390    6.2953    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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 17 12  1  0  0  0  0
 17 18  1  6  0  0  0
 19 20  2  0  0  0  0
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 12 22  1  1  0  0  0
  9 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
  2 26  2  0  0  0  0
  5 27  1  1  0  0  0
 14 28  1  1  0  0  0
 19 17  1  0  0  0  0
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 18 31  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,023)
1023

>  <Formula> (1,023)
C24H32ClFO5

>  <MolWeight> (1,023)
454.9592832

>  <Item Name> (1,023)
Halcinonide

>  <Catalog Number> (1,023)
S4098

>  <Synonyms> (1,023)
N/A

>  <Target> (1,023)
Immunology & Inflammation related

>  <Form> (1,023)
Free Base

>  <URL> (1,023)
http://www.selleckchem.com/products/halcinonide.html

>  <CAS Number> (1,023)
3093-35-4

$$$$
halobetasol propionate .cdx
csChFnd80/01151910432D

 35 38  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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    9.4248    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2704    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3798    6.2460    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
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 12 23  1  1  0  0  0
 16 24  1  1  0  0  0
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  5 26  1  1  0  0  0
  9 27  1  1  0  0  0
 17 28  1  6  0  0  0
  7 29  1  6  0  0  0
 10 30  1  6  0  0  0
 11 31  1  6  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,024)
1024

>  <Formula> (1,024)
C25H31ClF2O5

>  <MolWeight> (1,024)
484.9604464

>  <Item Name> (1,024)
Halobetasol Propionate

>  <Catalog Number> (1,024)
S4089

>  <Synonyms> (1,024)
N/A

>  <Target> (1,024)
Phospholipase (e.g. PLA)

>  <Form> (1,024)
Free Base

>  <URL> (1,024)
http://www.selleckchem.com/products/halobetasol-propionate.html

>  <CAS Number> (1,024)
66852-54-8

$$$$
ifenprodil tartrate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,025)
1025

>  <Formula> (1,025)
C46H60N2O10

>  <MolWeight> (1,025)
800.976

>  <Item Name> (1,025)
Ifenprodil Tartrate

>  <Catalog Number> (1,025)
S4091

>  <Synonyms> (1,025)
N/A

>  <Target> (1,025)
NMDAR

>  <Form> (1,025)
Tartrate

>  <URL> (1,025)
http://www.selleckchem.com/products/ifenprodil-tartrate.html

>  <CAS Number> (1,025)
23210-58-4

$$$$
levobetaxolol hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,026)
1026

>  <Formula> (1,026)
C18H30ClNO3

>  <MolWeight> (1,026)
343.8887

>  <Item Name> (1,026)
Levobetaxolol HCl

>  <Catalog Number> (1,026)
S4085

>  <Synonyms> (1,026)
N/A

>  <Target> (1,026)
Adrenergic Receptor

>  <Form> (1,026)
Hydrochloride

>  <URL> (1,026)
http://www.selleckchem.com/products/levobetaxolol-hcl.html

>  <CAS Number> (1,026)
116209-55-3, 93221-48-8(free base)

$$$$
lomerizine hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,027)
1027

>  <Formula> (1,027)
C27H32Cl2F2N2O3

>  <MolWeight> (1,027)
541.4573864

>  <Item Name> (1,027)
Lomerizine 2HCl

>  <Catalog Number> (1,027)
S4084

>  <Synonyms> (1,027)
N/A

>  <Target> (1,027)
Calcium Channel

>  <Form> (1,027)
Dihydrochloride

>  <URL> (1,027)
http://www.selleckchem.com/products/lomerizine-hcl.html

>  <CAS Number> (1,027)
101477-54-7, 101477-55-8(free base)

$$$$
loxapine succinate.cdx
csChFnd80/01151910432D

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    3.3749    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 12  2  0  0  0  0
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  8 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,028)
1028

>  <Formula> (1,028)
C22H24ClN3O5

>  <MolWeight> (1,028)
445.89606

>  <Item Name> (1,028)
Loxapine Succinate

>  <Catalog Number> (1,028)
S4086

>  <Synonyms> (1,028)
N/A

>  <Target> (1,028)
5-HT Receptor,Dopamine Receptor

>  <Form> (1,028)
Succinate

>  <URL> (1,028)
http://www.selleckchem.com/products/loxapine-succinate.html

>  <CAS Number> (1,028)
27833-64-3

$$$$
Pramoxine hydrochloride.cdx
csChFnd80/01151910432D

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   14.6182    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.2536    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6247    0.7583    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
 22 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,029)
1029

>  <Formula> (1,029)
C17H28ClNO3

>  <MolWeight> (1,029)
329.86212

>  <Item Name> (1,029)
Pramoxine HCl

>  <Catalog Number> (1,029)
S4092

>  <Synonyms> (1,029)
N/A

>  <Target> (1,029)
Others

>  <Form> (1,029)
Hydrochloride

>  <URL> (1,029)
http://www.selleckchem.com/products/pramoxine-hcl.html

>  <CAS Number> (1,029)
637-58-1

$$$$
Vitamin A acetate.cdx
csChFnd80/01151910432D

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    2.4549    2.1140    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> (1,030)
1030

>  <Formula> (1,030)
C22H32O2

>  <MolWeight> (1,030)
328.48828

>  <Item Name> (1,030)
Vitamin A Acetate

>  <Catalog Number> (1,030)
S4083

>  <Synonyms> (1,030)
N/A

>  <Target> (1,030)
Others

>  <Form> (1,030)
Free Base

>  <URL> (1,030)
http://www.selleckchem.com/products/vitamin-a-acetate.html

>  <CAS Number> (1,030)
127-47-9

$$$$
Voglibose.cdx
csChFnd80/01151910432D

 18 18  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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    4.7077    5.0391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,031)
1031

>  <Formula> (1,031)
C10H21NO7

>  <MolWeight> (1,031)
267.27624

>  <Item Name> (1,031)
Voglibose

>  <Catalog Number> (1,031)
S4101

>  <Synonyms> (1,031)
N/A

>  <Target> (1,031)
Others

>  <Form> (1,031)
Free Base

>  <URL> (1,031)
http://www.selleckchem.com/products/voglibose.html

>  <CAS Number> (1,031)
83480-29-9

$$$$
Azaperone.cdx
csChFnd80/01151910432D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,032)
1032

>  <Formula> (1,032)
C19H22FN3O

>  <MolWeight> (1,032)
327.3958832

>  <Item Name> (1,032)
Azaperone

>  <Catalog Number> (1,032)
S4219

>  <Synonyms> (1,032)
N/A

>  <Target> (1,032)
Dopamine Receptor

>  <Form> (1,032)
Free Base

>  <URL> (1,032)
http://www.selleckchem.com/products/azaperone.html

>  <CAS Number> (1,032)
1649-18-9

$$$$
Benzbromarone .cdx
csChFnd80/01151910432D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    9.7218    4.8492    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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 18 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,033)
1033

>  <Formula> (1,033)
C17H12Br2O3

>  <MolWeight> (1,033)
424.08338

>  <Item Name> (1,033)
Benzbromarone

>  <Catalog Number> (1,033)
S4221

>  <Synonyms> (1,033)
N/A

>  <Target> (1,033)
P450 (e.g. CYP17)

>  <Form> (1,033)
Free Base

>  <URL> (1,033)
http://www.selleckchem.com/products/benzbromarone.html

>  <CAS Number> (1,033)
3562-84-3

$$$$
Benzethonium chloride.cdx
csChFnd80/01151910432D

 31 31  0  0  0  0  0  0  0  0999 V2000
    4.4487    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    3.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    2.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8820    3.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8820    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    5.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363    2.9587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8576    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1362    1.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7575    4.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7575    1.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0945    5.7636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3069    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5193    5.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7318    5.0636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9442    5.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1566    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3691    5.7636    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   16.5815    5.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4692    6.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2690    6.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7940    5.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0106    5.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2273    5.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2273    7.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0106    7.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7940    7.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    1.8148    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
  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
 11 12  1  0  0  0  0
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 11 14  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,034)
1034

>  <Formula> (1,034)
C27H42ClNO2

>  <MolWeight> (1,034)
448.08088

>  <Item Name> (1,034)
Benzethonium chloride

>  <Catalog Number> (1,034)
S4162

>  <Synonyms> (1,034)
N/A

>  <Target> (1,034)
AChR

>  <Form> (1,034)
Chloride

>  <URL> (1,034)
http://www.selleckchem.com/products/benzethonium-chloride.html

>  <CAS Number> (1,034)
121-54-0

$$$$
Benzoic acid .cdx
csChFnd80/01151910432D

  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 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
    3.6331    4.1927    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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  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
M  END
>  <Mol_ID> (1,035)
1035

>  <Formula> (1,035)
C7H6O2

>  <MolWeight> (1,035)
122.12134

>  <Item Name> (1,035)
Benzoic acid

>  <Catalog Number> (1,035)
S4161

>  <Synonyms> (1,035)
N/A

>  <Target> (1,035)
Others

>  <Form> (1,035)
Free Base

>  <URL> (1,035)
http://www.selleckchem.com/products/benzoic-acid.html

>  <CAS Number> (1,035)
65-85-0 

$$$$
Benzylpenicillin sodium.cdx
csChFnd80/01151910432D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.1553    8.8185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2122    7.4169    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4321    9.3350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7934    8.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8842    7.3147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5911    7.0707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3345    8.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8010   10.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7264    9.6585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648    6.2932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3277    9.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4127    7.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8136   11.6616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4130    5.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4597    3.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2122    6.0380    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
  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 24  1  1  0  0  0
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 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
M  END
>  <Mol_ID> (1,036)
1036

>  <Formula> (1,036)
C16H17N2NaO4S

>  <MolWeight> (1,036)
356.37195

>  <Item Name> (1,036)
Penicillin G Sodium

>  <Catalog Number> (1,036)
S4160

>  <Synonyms> (1,036)
N/A

>  <Target> (1,036)
Antifection

>  <Form> (1,036)
Sodium Salt

>  <URL> (1,036)
http://www.selleckchem.com/products/benzylpenicillin-sodium.html

>  <CAS Number> (1,036)
69-57-8

$$$$
Bezafibrate .cdx
csChFnd80/01151910432D

 25 26  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    0.0024    0.0000 Cl  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 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.0073    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
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  2  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
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,037)
1037

>  <Formula> (1,037)
C19H20ClNO4

>  <MolWeight> (1,037)
361.8194

>  <Item Name> (1,037)
Bezafibrate

>  <Catalog Number> (1,037)
S4159

>  <Synonyms> (1,037)
N/A

>  <Target> (1,037)
PPAR

>  <Form> (1,037)
Free Base

>  <URL> (1,037)
http://www.selleckchem.com/products/bezafibrate.html

>  <CAS Number> (1,037)
41859-67-0

$$$$
chlorocresol.cdx
csChFnd80/01151910432D

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6784    1.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0884    2.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6360    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1242    3.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4557    2.6641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3705    1.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7771    3.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4043    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
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  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,038)
1038

>  <Formula> (1,038)
C7H7ClO

>  <MolWeight> (1,038)
142.58288

>  <Item Name> (1,038)
Chlorocresol

>  <Catalog Number> (1,038)
S4209

>  <Synonyms> (1,038)
N/A

>  <Target> (1,038)
Calcium Channel

>  <Form> (1,038)
Free Base

>  <URL> (1,038)
http://www.selleckchem.com/products/chlorocresol.html

>  <CAS Number> (1,038)
59-50-7

$$$$
Chromocarb.cdx
csChFnd80/01151910432D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    0.0000 C   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
    3.6373    1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (1,039)
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>  <Item Name> (1,039)
Chromocarb

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>  <Synonyms> (1,039)
N/A

>  <Target> (1,039)
Others

>  <Form> (1,039)
Free Base

>  <URL> (1,039)
http://www.selleckchem.com/products/chromocarb.html

>  <CAS Number> (1,039)
4940-39-0

$$$$
Clofibric acid.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,040)
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>  <Formula> (1,040)
C10H11ClO3

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Clofibric acid

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S4207

>  <Synonyms> (1,040)
N/A

>  <Target> (1,040)
PPAR

>  <Form> (1,040)
Free Base

>  <URL> (1,040)
http://www.selleckchem.com/products/clofibric-acid.html

>  <CAS Number> (1,040)
882-09-7

$$$$
Cysteamine HCl.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,041)
1041

>  <Formula> (1,041)
C2H8ClNS

>  <MolWeight> (1,041)
113.60962

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Cysteamine HCl

>  <Catalog Number> (1,041)
S4206

>  <Synonyms> (1,041)
N/A

>  <Target> (1,041)
Others

>  <Form> (1,041)
Hydrochloride

>  <URL> (1,041)
http://www.selleckchem.com/products/cysteamine-hcl.html

>  <CAS Number> (1,041)
156-57-0

$$$$
Erythritol.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,042)
1042

>  <Formula> (1,042)
C4H10O4

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Erythritol

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S4224

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N/A

>  <Target> (1,042)
Others

>  <Form> (1,042)
Free Base

>  <URL> (1,042)
http://www.selleckchem.com/products/erythritol.html

>  <CAS Number> (1,042)
149-32-6

$$$$
fidaxomicin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,043)
1043

>  <Formula> (1,043)
C52H74Cl2O18

>  <MolWeight> (1,043)
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>  <Item Name> (1,043)
Fidaxomicin

>  <Catalog Number> (1,043)
S4227

>  <Synonyms> (1,043)
N/A

>  <Target> (1,043)
DNA/RNA Synthes

>  <Form> (1,043)
Free Base

>  <URL> (1,043)
http://www.selleckchem.com/products/fidaxomicin.html

>  <CAS Number> (1,043)
873857-62-6

$$$$
Fluorometholone Acetate.cdx
csChFnd80/01151910432D

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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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  3 31  1  1  0  0  0
  4 32  1  1  0  0  0
  2 33  1  1  0  0  0
 10 34  1  1  0  0  0
M  END
>  <Mol_ID> (1,044)
1044

>  <Formula> (1,044)
C24H31FO5

>  <MolWeight> (1,044)
418.4983432

>  <Item Name> (1,044)
Fluorometholone Acetate

>  <Catalog Number> (1,044)
S4228

>  <Synonyms> (1,044)
N/A

>  <Target> (1,044)
Glucocorticoid Receptor

>  <Form> (1,044)
Free Base

>  <URL> (1,044)
http://www.selleckchem.com/products/fluorometholone-acetate.html

>  <CAS Number> (1,044)
3801-06-7

$$$$
Isosorbide.cdx
csChFnd80/01151910432D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.1287    1.8326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1287    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2831    1.1326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4602    2.2652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6146    1.5652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6146    2.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2831    3.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6527    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
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  6 12  1  1  0  0  0
M  END
>  <Mol_ID> (1,045)
1045

>  <Formula> (1,045)
C6H10O4

>  <MolWeight> (1,045)
146.1412

>  <Item Name> (1,045)
Isosorbide

>  <Catalog Number> (1,045)
S4204

>  <Synonyms> (1,045)
N/A

>  <Target> (1,045)
Others

>  <Form> (1,045)
Free Base

>  <URL> (1,045)
http://www.selleckchem.com/products/isosorbide.html

>  <CAS Number> (1,045)
652-67-5 

$$$$
Liothyronine Sodium.cdx
csChFnd80/01151910432D

 24 24  0  0  0  0  0  0  0  0999 V2000
    6.0703    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    1.3981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0703    3.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832    1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8574    4.2003    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.4960    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    3.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9217    3.5012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.1347    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9217    2.0972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3475    3.5012    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
  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
  3  7  1  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  8 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
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 18 20  1  0  0  0  0
 18 21  1  1  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,046)
1046

>  <Formula> (1,046)
C15H11I3NNaO4

>  <MolWeight> (1,046)
672.95532

>  <Item Name> (1,046)
Liothyronine Sodium

>  <Catalog Number> (1,046)
S4217

>  <Synonyms> (1,046)
N/A

>  <Target> (1,046)
Others

>  <Form> (1,046)
Free Base

>  <URL> (1,046)
http://www.selleckchem.com/products/liothyronine-sodium.html

>  <CAS Number> (1,046)
55-06-1

$$$$
mevastatin.cdx
csChFnd80/01151910432D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.7009    8.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7009    7.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    9.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    6.3003    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2739    8.4028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9073    9.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    7.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    9.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    2.1023    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8539    2.8008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6405    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8539    4.1978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1978    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  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  6  0  0  0
  7  4  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  1  0  0  0
 18  8  1  0  0  0  0
 11 10  1  0  0  0  0
 13 10  1  0  0  0  0
 15 10  1  0  0  0  0
 10 29  1  1  0  0  0
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 23 11  1  0  0  0  0
 12 14  1  0  0  0  0
 20 12  2  0  0  0  0
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 16 13  1  0  0  0  0
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 26 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,047)
1047

>  <Formula> (1,047)
C23H34O5

>  <MolWeight> (1,047)
390.51306

>  <Item Name> (1,047)
Mevastatin

>  <Catalog Number> (1,047)
S4223

>  <Synonyms> (1,047)
N/A

>  <Target> (1,047)
HMG-CoA Reductase

>  <Form> (1,047)
Free Base

>  <URL> (1,047)
http://www.selleckchem.com/products/mevastatin.html

>  <CAS Number> (1,047)
73573-88-3

$$$$
Mexiletine Hydrochloride.cdx
csChFnd80/01151910432D

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.4411    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1839    2.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4411    0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6635    2.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1647    4.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1839    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6635    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8822    1.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0855    2.7534    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2848    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0855    4.0491    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  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
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  4  9  1  0  0  0  0
  5 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> (1,048)
1048

>  <Formula> (1,048)
C11H18ClNO

>  <MolWeight> (1,048)
215.71972

>  <Item Name> (1,048)
Mexiletine HCl

>  <Catalog Number> (1,048)
S4225

>  <Synonyms> (1,048)
N/A

>  <Target> (1,048)
Sodium Channel

>  <Form> (1,048)
Hydrochloride

>  <URL> (1,048)
http://www.selleckchem.com/products/mexiletine-hcl.html

>  <CAS Number> (1,048)
5370-01-4

$$$$
Montelukast sodium.cdx
csChFnd80/01151910432D

 42 45  0  0  0  0  0  0  0  0999 V2000
   12.8842    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8999    2.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0967    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2940    6.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3092    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3786    0.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5065    6.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4594    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2470    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1847    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6097    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3092    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6719    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,049)
1049

>  <Formula> (1,049)
C35H35ClNNaO3S

>  <MolWeight> (1,049)
608.16507

>  <Item Name> (1,049)
Montelukast Sodium

>  <Catalog Number> (1,049)
S4211

>  <Synonyms> (1,049)
N/A

>  <Target> (1,049)
LTR

>  <Form> (1,049)
Sodium Salt

>  <URL> (1,049)
http://www.selleckchem.com/products/montelukast-sodium.html

>  <CAS Number> (1,049)
151767-02-1

$$$$
Nithiamide.cdx
csChFnd80/01151910432D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.4861    2.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,050)
1050

>  <Formula> (1,050)
C5H5N3O3S

>  <MolWeight> (1,050)
187.1765

>  <Item Name> (1,050)
Nithiamide

>  <Catalog Number> (1,050)
S4232

>  <Synonyms> (1,050)
N/A

>  <Target> (1,050)
Antifection

>  <Form> (1,050)
Free Base

>  <URL> (1,050)
http://www.selleckchem.com/products/nithiamide.html

>  <CAS Number> (1,050)
140-40-9

$$$$
Oxaprozin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,051)
1051

>  <Formula> (1,051)
C18H15NO3

>  <MolWeight> (1,051)
293.3166

>  <Item Name> (1,051)
Oxaprozin

>  <Catalog Number> (1,051)
S4230

>  <Synonyms> (1,051)
N/A

>  <Target> (1,051)
COX

>  <Form> (1,051)
Free Base

>  <URL> (1,051)
http://www.selleckchem.com/products/oxaprozin.html

>  <CAS Number> (1,051)
21256-18-8

$$$$
Oxybuprocaine HCl.cdx
csChFnd80/01151910432D

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    4.2137    7.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,052)
1052

>  <Formula> (1,052)
C17H29ClN2O3

>  <MolWeight> (1,052)
344.87676

>  <Item Name> (1,052)
Oxybuprocaine HCl

>  <Catalog Number> (1,052)
S4229

>  <Synonyms> (1,052)
N/A

>  <Target> (1,052)
Sodium Channel

>  <Form> (1,052)
Hydrochloride

>  <URL> (1,052)
http://www.selleckchem.com/products/oxybuprocaine-hcl.html

>  <CAS Number> (1,052)
5987-82-6

$$$$
pheniramine maleate .cdx
csChFnd80/01151910432D

 26 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,053)
1053

>  <Formula> (1,053)
C20H24N2O4

>  <MolWeight> (1,053)
356.41556

>  <Item Name> (1,053)
Pheniramine Maleate

>  <Catalog Number> (1,053)
S4045

>  <Synonyms> (1,053)
N/A

>  <Target> (1,053)
Histamine Receptor

>  <Form> (1,053)
Maleate

>  <URL> (1,053)
http://www.selleckchem.com/products/pheniramine-maleate.html

>  <CAS Number> (1,053)
132-20-7

$$$$
Pilocarpine HCl.cdx
csChFnd80/01151910432D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,054)
1054

>  <Formula> (1,054)
C11H17ClN2O2

>  <MolWeight> (1,054)
244.71788

>  <Item Name> (1,054)
Pilocarpine HCl

>  <Catalog Number> (1,054)
S4231

>  <Synonyms> (1,054)
N/A

>  <Target> (1,054)
AChR

>  <Form> (1,054)
Hydrochloride

>  <URL> (1,054)
http://www.selleckchem.com/products/pilocarpine-hcl.html

>  <CAS Number> (1,054)
54-71-7

$$$$
Piperacillin Sodium.cdx
csChFnd80/01151910432D

 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
    6.2481    2.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8289    4.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8024    2.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8924    4.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8937    0.5597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6217    5.2795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8289    3.2248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6217    6.6922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3824    3.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687    5.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    7.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1687    2.4861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    8.7727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0746    7.0903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0039    9.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6217    9.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0168   10.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1919    8.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025   10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482   11.5661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1919   11.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8289   12.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9270   13.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5122    0.0000    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  1  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  1  0  0  0
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  6 10  2  0  0  0  0
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  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
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 11 16  1  0  0  0  0
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 16 18  1  0  0  0  0
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 18 21  1  0  0  0  0
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 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 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
 30 33  1  0  0  0  0
 30 34  2  0  0  0  0
 32 33  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (1,055)
1055

>  <Formula> (1,055)
C23H26N5NaO7S

>  <MolWeight> (1,055)
539.53661

>  <Item Name> (1,055)
Piperacillin Sodium

>  <Catalog Number> (1,055)
S4222

>  <Synonyms> (1,055)
N/A

>  <Target> (1,055)
Antifection

>  <Form> (1,055)
Sodium Salt

>  <URL> (1,055)
http://www.selleckchem.com/products/piperacillin-sodium.html

>  <CAS Number> (1,055)
59703-84-3

$$$$
Tolperisone HCl.cdx
csChFnd80/01151910432D

 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
    2.4207    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2578    6.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1763    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
  5  8  1  0  0  0  0
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  8 10  2  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 18  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,056)
1056

>  <Formula> (1,056)
C16H24ClNO

>  <MolWeight> (1,056)
281.82086

>  <Item Name> (1,056)
Tolperisone HCl

>  <Catalog Number> (1,056)
S4200

>  <Synonyms> (1,056)
N/A

>  <Target> (1,056)
Sodium Channel

>  <Form> (1,056)
Hydrochloride

>  <URL> (1,056)
http://www.selleckchem.com/products/tolperisone-hcl.html

>  <CAS Number> (1,056)
3644-61-9

$$$$
Zoxazolamine.cdx
csChFnd80/01151910432D

 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
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  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> (1,057)
1057

>  <Formula> (1,057)
C7H5ClN2O

>  <MolWeight> (1,057)
168.5804

>  <Item Name> (1,057)
Zoxazolamine

>  <Catalog Number> (1,057)
S4233

>  <Synonyms> (1,057)
N/A

>  <Target> (1,057)
Others

>  <Form> (1,057)
Free Base

>  <URL> (1,057)
http://www.selleckchem.com/products/zoxazolamine.html

>  <CAS Number> (1,057)
61-80-3

$$$$
Prucalopride succinat.cdx
csChFnd80/01151910432D

 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
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    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
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    8.4094    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 16 17  1  0  0  0  0
 13 17  2  0  0  0  0
 12 14  2  0  0  0  0
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 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> (1,058)
1058

>  <Formula> (1,058)
C22H32ClN3O7

>  <MolWeight> (1,058)
485.95838

>  <Item Name> (1,058)
Prucalopride Succinat

>  <Catalog Number> (1,058)
S4247

>  <Synonyms> (1,058)
N/A

>  <Target> (1,058)
5-HT Receptor

>  <Form> (1,058)
Succinat

>  <URL> (1,058)
http://www.selleckchem.com/products/prucalopride-succinat.html

>  <CAS Number> (1,058)
179474-85-2

$$$$
Bromfenac sodium.cdx
csChFnd80/01151910432D

 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
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    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
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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
  3  6  1  0  0  0  0
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 15 16  1  0  0  0  0
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 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> (1,059)
1059

>  <Formula> (1,059)
C15H11BrNNaO3

>  <MolWeight> (1,059)
356.14651

>  <Item Name> (1,059)
Bromfenac Sodium

>  <Catalog Number> (1,059)
S4248

>  <Synonyms> (1,059)
N/A

>  <Target> (1,059)
COX

>  <Form> (1,059)
Sodium Salt

>  <URL> (1,059)
http://www.selleckchem.com/products/bromfenac-sodium.html

>  <CAS Number> (1,059)
91714-93-1

$$$$
Flopropione.cdx
csChFnd80/01151910432D

 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
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    3.9371    4.7936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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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  2  0  0  0  0
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  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> (1,060)
1060

>  <Formula> (1,060)
C9H10O4

>  <MolWeight> (1,060)
182.1733

>  <Item Name> (1,060)
Flopropione

>  <Catalog Number> (1,060)
S4249

>  <Synonyms> (1,060)
N/A

>  <Target> (1,060)
5-HT Receptor

>  <Form> (1,060)
Free Base

>  <URL> (1,060)
http://www.selleckchem.com/products/flopropione.html

>  <CAS Number> (1,060)
2295-58-1

$$$$
S4246.cdx
csChFnd80/01151910432D

 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
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    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
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  8  9  1  0  0  0  0
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  8 10  1  1  0  0  0
A   12
relative stereochemistry
M  END
>  <Mol_ID> (1,061)
1061

>  <Formula> (1,061)
C9H12ClNR

>  <MolWeight> (1,061)
169.65128

>  <Item Name> (1,061)
Tranylcypromine (2-PCPA) HCl

>  <Catalog Number> (1,061)
S4246

>  <Synonyms> (1,061)
N/A

>  <Target> (1,061)
MAO

>  <Form> (1,061)
Hydrochloride

>  <URL> (1,061)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

>  <CAS Number> (1,061)
4548-34-9

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/01151910432D

 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
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   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
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    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
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  1  6  2  0  0  0  0
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 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> (1,062)
1062

>  <Formula> (1,062)
C11H12N4O3S

>  <MolWeight> (1,062)
280.30298

>  <Item Name> (1,062)
Sulfamethoxypyridazine

>  <Catalog Number> (1,062)
S4250

>  <Synonyms> (1,062)
N/A

>  <Target> (1,062)
Antifection

>  <Form> (1,062)
Free Base

>  <URL> (1,062)
http://www.selleckchem.com/products/sulfamethoxypyridazine.html

>  <CAS Number> (1,062)
80-35-3

$$$$
Phenothiazine.cdx
csChFnd80/01151910432D

 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
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    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
  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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 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> (1,063)
1063

>  <Formula> (1,063)
C12H9NS

>  <MolWeight> (1,063)
199.27156

>  <Item Name> (1,063)
Phenothiazine

>  <Catalog Number> (1,063)
S4251

>  <Synonyms> (1,063)
N/A

>  <Target> (1,063)
Dopamine Receptor

>  <Form> (1,063)
Free Base

>  <URL> (1,063)
http://www.selleckchem.com/products/phenothiazine.html

>  <CAS Number> (1,063)
92-84-2

$$$$
Mechlorethamine HCl.cdx
csChFnd80/01151910432D

  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
  2  3  1  0  0  0  0
  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> (1,064)
1064

>  <Formula> (1,064)
C5H12Cl3N

>  <MolWeight> (1,064)
192.51448

>  <Item Name> (1,064)
Mechlorethamine HCl

>  <Catalog Number> (1,064)
S4252

>  <Synonyms> (1,064)
N/A

>  <Target> (1,064)
DNA/RNA Synthesis

>  <Form> (1,064)
Hydrochloride

>  <URL> (1,064)
http://www.selleckchem.com/products/mechlorethamine-hcl.html

>  <CAS Number> (1,064)
55-86-7

$$$$
Epinastine HCl.cdx
csChFnd80/01151910432D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.5193    3.9909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    3.1180    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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  9 10  1  0  0  0  0
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  3 14  2  0  0  0  0
  4 11  2  0  0  0  0
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 17 18  1  0  0  0  0
  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> (1,065)
1065

>  <Formula> (1,065)
C16H16ClN3

>  <MolWeight> (1,065)
285.77134

>  <Item Name> (1,065)
Epinastine HCl

>  <Catalog Number> (1,065)
S4253

>  <Synonyms> (1,065)
N/A

>  <Target> (1,065)
Histamine Receptor

>  <Form> (1,065)
Hydrochloride

>  <URL> (1,065)
http://www.selleckchem.com/products/epinastine-hcl.html

>  <CAS Number> (1,065)
108929-04-0

$$$$
Latrepirdine.cdx
csChFnd80/01151910432D

 26 27  0  0  0  0  0  0  0  0999 V2000
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   10.9052    8.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5400    8.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0441   10.5870    0.0000 N   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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  1  9  1  0  0  0  0
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 10 13  1  0  0  0  0
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 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
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M  END
>  <Mol_ID> (1,066)
1066

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Dimebolin

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97657-92-6

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Bazedoxifene acetate.cdx
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Estrogen/progestogen Receptor

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198481-33-3

$$$$
Daidzin.cdx
csChFnd80/01151910432D

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

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552-66-9

$$$$
OC000459.cdx
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GPR
GPR

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851723-84-7, 950688-14-9 (sodium salt)

$$$$
Verapamil HCl.cdx
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Verapamil HCl

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N/A

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Calcium Channel

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Hydrochloride

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http://www.selleckchem.com/products/verapami-hcl.html

>  <CAS Number> (1,070)
152-11-4

$$$$
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>  <Target> (1,071)
p38 MAPK 

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Free Base

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http://www.selleckchem.com/products/VX-745.html

>  <CAS Number> (1,071)
209410-46-8

$$$$
untitled.cdx
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>  <Formula> (1,072)
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>  <Item Name> (1,072)
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>  <Synonyms> (1,072)
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>  <Target> (1,072)
Akt

>  <Form> (1,072)
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>  <URL> (1,072)
http://www.selleckchem.com/products/Triciribine.html

>  <CAS Number> (1,072)
35943-35-2

$$$$
AZD 1480.cdx
csChFnd80/01151910432D

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JAK

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>  <URL> (1,073)
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>  <CAS Number> (1,073)
935666-88-9, 1260222-79-4 (TFA)

$$$$
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csChFnd80/01151910432D

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>  <Synonyms> (1,074)
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>  <Target> (1,074)
Phospholipase (e.g. PLA)

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>  <URL> (1,074)
http://www.selleckchem.com/products/quinacrine-2hcl.html

>  <CAS Number> (1,074)
69-05-6

$$$$
oxethazaine.cdx
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M  END
>  <Mol_ID> (1,075)
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>  <Formula> (1,075)
C28H41N3O3

>  <MolWeight> (1,075)
467.64344

>  <Item Name> (1,075)
oxethazaine

>  <Catalog Number> (1,075)
S4343 

>  <Synonyms> (1,075)
Oxethacaine

>  <Target> (1,075)
Others

>  <Form> (1,075)
Free Base

>  <URL> (1,075)
http://www.selleckchem.com/products/oxethazaine.html

>  <CAS Number> (1,075)
126-27-2

$$$$
prochlorperazine dimaleate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,076)
1076

>  <Formula> (1,076)
C28H32ClN3O8S

>  <MolWeight> (1,076)
606.08698

>  <Item Name> (1,076)
prochlorperazine dimaleate

>  <Catalog Number> (1,076)
S4407 

>  <Synonyms> (1,076)
N/A

>  <Target> (1,076)
Others

>  <Form> (1,076)
dimaleate

>  <URL> (1,076)
http://www.selleckchem.com/products/prochlorperazine-dimaleate.html

>  <CAS Number> (1,076)
1984-2-6

$$$$
(S)-(+)-FLURBIPROFEN.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,077)
1077

>  <Formula> (1,077)
C15H13FO2

>  <MolWeight> (1,077)
244.2609232

>  <Item Name> (1,077)
Flurbiprofen

>  <Catalog Number> (1,077)
S1679

>  <Synonyms> (1,077)
Urbifen, Ansaid, Flurwood, Froben

>  <Target> (1,077)
COX

>  <Form> (1,077)
Free Base

>  <URL> (1,077)
http://www.selleckchem.com/products/Flurbiprofen(Ansaid).html

>  <CAS Number> (1,077)
51543-39-6

$$$$
Chlorpheniramine Maleate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,078)
1078

>  <Formula> (1,078)
C20H23ClN2O4

>  <MolWeight> (1,078)
390.86062

>  <Item Name> (1,078)
Chlorpheniramine Maleate

>  <Catalog Number> (1,078)
S1816

>  <Synonyms> (1,078)
Piriton

>  <Target> (1,078)
Histamine Receptor

>  <Form> (1,078)
Maleate

>  <URL> (1,078)
http://www.selleckchem.com/products/Chlorpheniramine-maleate.html

>  <CAS Number> (1,078)
113-92-8

$$$$
Emtricitabine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,079)
1079

>  <Formula> (1,079)
C8H10FN3O3S

>  <MolWeight> (1,079)
247.2467032

>  <Item Name> (1,079)
Emtricitabine

>  <Catalog Number> (1,079)
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Free Base

>  <URL> (1,079)
http://www.selleckchem.com/products/Emtricitabine.html

>  <CAS Number> (1,079)
143491-57-0

$$$$
Idoxuridine.cdx
csChFnd80/01151910432D

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Antifection

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Free Base

>  <URL> (1,080)
http://www.selleckchem.com/products/idoxuridine.html

>  <CAS Number> (1,080)
54-42-2

$$$$
Lubiprostone.cdx
csChFnd80/01151910432D

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C20H32F2O5

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Lubiprostone

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S1675

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Amitiza, RU-0211, SPI-0211

>  <Target> (1,081)
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Free Base

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http://www.selleckchem.com/products/Lubiprostone(Amitiza).html

>  <CAS Number> (1,081)
136790-76-6

$$$$
Mitotane.cdx
csChFnd80/01151910432D

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Lysodren, Mitotan

>  <Target> (1,082)
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Free Base

>  <URL> (1,082)
http://www.selleckchem.com/products/Mitotane(Lysodren).html

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53-19-0

$$$$
Nisoldipine.cdx
csChFnd80/01151910432D

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Calcium Channel

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Free Base

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http://www.selleckchem.com/products/Nisoldipine(Sular).html

>  <CAS Number> (1,083)
63675-72-9

$$$$
Rifabutin.cdx
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M  END
>  <Mol_ID> (1,084)
1084

>  <Formula> (1,084)
C46H62N4O11

>  <MolWeight> (1,084)
847.00468

>  <Item Name> (1,084)
Rifabutin

>  <Catalog Number> (1,084)
S1741

>  <Synonyms> (1,084)
Mycobutin, Ansamycin, LM 427, Ansatipine

>  <Target> (1,084)
Antifection

>  <Form> (1,084)
Free Base

>  <URL> (1,084)
http://www.selleckchem.com/products/Rifabutin(Mycobutin).html

>  <CAS Number> (1,084)
72559-06-9

$$$$
Rifampin.cdx
csChFnd80/01151910432D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (1,085)
1085

>  <Formula> (1,085)
C43H58N4O12

>  <MolWeight> (1,085)
822.94022

>  <Item Name> (1,085)
Rifampin

>  <Catalog Number> (1,085)
S1764

>  <Synonyms> (1,085)
Rifampicin

>  <Target> (1,085)
DNA/RNA Synthesis

>  <Form> (1,085)
Free Base

>  <URL> (1,085)
http://www.selleckchem.com/products/Rifampin(Rifadin).html

>  <CAS Number> (1,085)
13292-46-1

$$$$
Rifapentine.cdx
csChFnd80/01151910432D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (1,086)
1086

>  <Formula> (1,086)
C47H64N4O12

>  <MolWeight> (1,086)
877.03066

>  <Item Name> (1,086)
Rifapentine

>  <Catalog Number> (1,086)
S1760

>  <Synonyms> (1,086)
Cyclopentylrifampicin

>  <Target> (1,086)
DNA/RNA Synthesis

>  <Form> (1,086)
Free Base

>  <URL> (1,086)
http://www.selleckchem.com/products/Rifapentine(Priftin).html

>  <CAS Number> (1,086)
61379-65-5

$$$$
spironolactone.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,087)
1087

>  <Formula> (1,087)
C24H32O4S

>  <MolWeight> (1,087)
416.57348

>  <Item Name> (1,087)
spironolactone

>  <Catalog Number> (1,087)
S4054

>  <Synonyms> (1,087)
N/A

>  <Target> (1,087)
Androgen Receptor

>  <Form> (1,087)
Free Base

>  <URL> (1,087)
http://www.selleckchem.com/products/spironolactone.html

>  <CAS Number> (1,087)
52-01-7

$$$$
Alizapride hydrochloride.cdx
csChFnd80/01151910432D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,088)
1088

>  <Formula> (1,088)
C16H22ClN5O2

>  <MolWeight> (1,088)
351.83118

>  <Item Name> (1,088)
Alizapride hydrochloride

>  <Catalog Number> (1,088)
S4257 

>  <Synonyms> (1,088)
N/A

>  <Target> (1,088)
Dopamine Receptor

>  <Form> (1,088)
hydrochloride

>  <URL> (1,088)
http://www.selleckchem.com/products/alizapride-hcl.html

>  <CAS Number> (1,088)
59338-87-3

$$$$
Brimonidine Tartrate.cdx
csChFnd80/01151910432D

 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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  1  2  1  0  0  0  0
  6  5  1  0  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,089)
1089

>  <Formula> (1,089)
C15H16BrN5O6

>  <MolWeight> (1,089)
442.22144

>  <Item Name> (1,089)
Brimonidine Tartrate

>  <Catalog Number> (1,089)
S4266

>  <Synonyms> (1,089)
N/A

>  <Target> (1,089)
Adrenergic Receptor

>  <Form> (1,089)
Tartrate

>  <URL> (1,089)
http://www.selleckchem.com/products/brimonidine-tartrate.html

>  <CAS Number> (1,089)
70359-46-5

$$$$
Buspirone hydrochloride.cdx
csChFnd80/01151910432D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,090)
1090

>  <Formula> (1,090)
C21H32ClN5O2

>  <MolWeight> (1,090)
421.96408

>  <Item Name> (1,090)
Buspirone hydrochloride

>  <Catalog Number> (1,090)
S4256 

>  <Synonyms> (1,090)
N/A

>  <Target> (1,090)
5-HT Receptor

>  <Form> (1,090)
Hydrochloride

>  <URL> (1,090)
http://www.selleckchem.com/products/buspirone-hcl.html

>  <CAS Number> (1,090)
33386-08-2

$$$$
Diacerein.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,091)
1091

>  <Formula> (1,091)
C19H12O8

>  <MolWeight> (1,091)
368.29378

>  <Item Name> (1,091)
Diacerein

>  <Catalog Number> (1,091)
S4267 

>  <Synonyms> (1,091)
N/A

>  <Target> (1,091)
IL Receptor

>  <Form> (1,091)
Free Base

>  <URL> (1,091)
http://www.selleckchem.com/products/diacerein.html

>  <CAS Number> (1,091)
13739-02-1

$$$$
RAPAFLO (silodosin).cdx
csChFnd80/01151910432D

 35 37  0  0  0  0  0  0  0  0999 V2000
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    1.2124    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    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> (1,092)
1092

>  <Formula> (1,092)
C25H32F3N3O4

>  <MolWeight> (1,092)
495.5344896

>  <Item Name> (1,092)
Silodosin

>  <Catalog Number> (1,092)
S1613

>  <Synonyms> (1,092)
N/A

>  <Target> (1,092)
Adrenergic Recepto

>  <Form> (1,092)
Free Base

>  <URL> (1,092)
http://www.selleckchem.com/products/Silodosin(Rapaflo).html

>  <CAS Number> (1,092)
160970-54-7

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/01151910432D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,093)
1093

>  <Formula> (1,093)
C22H29FN3O9P

>  <MolWeight> (1,093)
529.4525242

>  <Item Name> (1,093)
Sofosbuvir(PSI-7977)

>  <Catalog Number> (1,093)
S2794

>  <Synonyms> (1,093)
N/A

>  <Target> (1,093)
DNA/RNA Synthesis

>  <Form> (1,093)
Free Base

>  <URL> (1,093)
http://www.selleckchem.com/products/psi-7977-gs-7977.html

>  <CAS Number> (1,093)
1190307-88-0

$$$$
Efaproxiral sodium.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,094)
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>  <Formula> (1,094)
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>  <Item Name> (1,094)
Efaproxiral sodium

>  <Catalog Number> (1,094)
S4263 

>  <Synonyms> (1,094)
N/A

>  <Target> (1,094)
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>  <Form> (1,094)
Sodium salt

>  <URL> (1,094)
http://www.selleckchem.com/products/efaproxiral-sodium.html

>  <CAS Number> (1,094)
170787-99-2

$$$$
Etofibrate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,095)
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>  <Formula> (1,095)
C18H18ClNO5

>  <MolWeight> (1,095)
363.79222

>  <Item Name> (1,095)
Etofibrate

>  <Catalog Number> (1,095)
S4264 

>  <Synonyms> (1,095)
N/A

>  <Target> (1,095)
Others

>  <Form> (1,095)
Free Base

>  <URL> (1,095)
http://www.selleckchem.com/products/etofibrate.html

>  <CAS Number> (1,095)
31637-97-5

$$$$
Flufenamic acid.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,096)
1096

>  <Formula> (1,096)
C14H10F3NO2

>  <MolWeight> (1,096)
281.2299096

>  <Item Name> (1,096)
Flufenamic acid

>  <Catalog Number> (1,096)
S4268 

>  <Synonyms> (1,096)
N/A

>  <Target> (1,096)
COX

>  <Form> (1,096)
Free Base

>  <URL> (1,096)
http://www.selleckchem.com/products/flufenamic-acid.html

>  <CAS Number> (1,096)
530-78-9

$$$$
Luliconazole.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,097)
1097

>  <Formula> (1,097)
C14H9Cl2N3S2

>  <MolWeight> (1,097)
354.27736

>  <Item Name> (1,097)
Luliconazole

>  <Catalog Number> (1,097)
S4258 

>  <Synonyms> (1,097)
N/A

>  <Target> (1,097)
Antifection

>  <Form> (1,097)
Free Base

>  <URL> (1,097)
http://www.selleckchem.com/products/luliconazole.html

>  <CAS Number> (1,097)
187164-19-8

$$$$
Nicaraven.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,098)
1098

>  <Formula> (1,098)
C15H16N4O2

>  <MolWeight> (1,098)
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>  <Item Name> (1,098)
Nicaraven

>  <Catalog Number> (1,098)
S4265 

>  <Synonyms> (1,098)
N/A

>  <Target> (1,098)
Others

>  <Form> (1,098)
Free Base

>  <URL> (1,098)
http://www.selleckchem.com/products/nicaraven.html

>  <CAS Number> (1,098)
79455-30-4

$$$$
Tamibarotene.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,099)
1099

>  <Formula> (1,099)
C22H25NO3

>  <MolWeight> (1,099)
351.4388

>  <Item Name> (1,099)
Tamibarotene

>  <Catalog Number> (1,099)
S4260 

>  <Synonyms> (1,099)
N/A

>  <Target> (1,099)
Retinoid Receptor

>  <Form> (1,099)
Free Base

>  <URL> (1,099)
http://www.selleckchem.com/products/tamibarotene.html

>  <CAS Number> (1,099)
94497-51-5

$$$$
Vilazodone Hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,100)
1100

>  <Formula> (1,100)
C26H28ClN5O2

>  <MolWeight> (1,100)
477.98582

>  <Item Name> (1,100)
Vilazodone Hydrochloride

>  <Catalog Number> (1,100)
S4259 

>  <Synonyms> (1,100)
N/A

>  <Target> (1,100)
Others

>  <Form> (1,100)
Hydrochloride

>  <URL> (1,100)
http://www.selleckchem.com/products/vilazodone-hcl.html

>  <CAS Number> (1,100)
163521-08-2

$$$$
TELAPREVIR (VX-950).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,101)
1101

>  <Formula> (1,101)
C36H53N7O6

>  <MolWeight> (1,101)
679.84932

>  <Item Name> (1,101)
Telaprevir (VX-950)

>  <Catalog Number> (1,101)
S1538

>  <Synonyms> (1,101)
LY-570310, MP-424

>  <Target> (1,101)
HCV Protease

>  <Form> (1,101)
Free Base

>  <URL> (1,101)
http://www.selleckchem.com/products/Telaprevir(VX-950).html

>  <CAS Number> (1,101)
402957-28-2

$$$$
LX1606.cdx
csChFnd80/01151910432D

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 48 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51 53  2  0  0  0  0
M  END
>  <Mol_ID> (1,102)
1102

>  <Formula> (1,102)
C36H35ClF3N7O6

>  <MolWeight> (1,102)
754.1546096

>  <Item Name> (1,102)
LX1606 hippurate

>  <Catalog Number> (1,102)
S2173

>  <Synonyms> (1,102)
Telotristat Etiprate

>  <Target> (1,102)
Hydroxylase

>  <Form> (1,102)
Hippuric acid

>  <URL> (1,102)
http://www.selleckchem.com/products/telotristat-etiprate-lx-1606-hippurate.html

>  <CAS Number> (1,102)
11137608-69-5

$$$$
Vinorelbine tartrate.cdx
csChFnd80/01151910432D

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    6.7339    8.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4902    7.1539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3131    8.2866    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9213    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34  1  1  6  0  0  0
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M  END
>  <Mol_ID> (1,103)
1103

>  <Formula> (1,103)
C53H66N4O20

>  <MolWeight> (1,103)
1079.10594

>  <Item Name> (1,103)
Vinorelbine Tartrate

>  <Catalog Number> (1,103)
S4269

>  <Synonyms> (1,103)
N/A

>  <Target> (1,103)
Microtubule Associated

>  <Form> (1,103)
Tartrate

>  <URL> (1,103)
http://www.selleckchem.com/products/vinorelbine-tartrate.html

>  <CAS Number> (1,103)
125317-39-7

$$$$
Almorexant HCl.cdx
csChFnd80/01151910432D

 38 40  0  0  0  0  0  0  0  0999 V2000
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 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (1,104)
1104

>  <Formula> (1,104)
C29H32ClF3N2O3

>  <MolWeight> (1,104)
549.0241896

>  <Item Name> (1,104)
Almorexant HCl

>  <Catalog Number> (1,104)
S2160

>  <Synonyms> (1,104)
N/A

>  <Target> (1,104)
OX Receptor

>  <Form> (1,104)
Hydrochloride

>  <URL> (1,104)
http://www.selleckchem.com/products/almorexant-hcl.html

>  <CAS Number> (1,104)
913358-93-7

$$$$
Oxiracetam.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,105)
1105

>  <Formula> (1,105)
C6H10N2O3

>  <MolWeight> (1,105)
158.1552

>  <Item Name> (1,105)
Oxiracetam

>  <Catalog Number> (1,105)
S4270

>  <Synonyms> (1,105)
ISF 2522

>  <Target> (1,105)
GABA Receptor

>  <Form> (1,105)
Free Base

>  <URL> (1,105)
http://www.selleckchem.com/products/oxiracetam.html

>  <CAS Number> (1,105)
62613-82-5

$$$$
Vincristine Sulfate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,106)
1106

>  <Formula> (1,106)
C46H58N4O14S

>  <MolWeight> (1,106)
923.03612

>  <Item Name> (1,106)
Vincristine Sulfate

>  <Catalog Number> (1,106)
S1241

>  <Synonyms> (1,106)
Leurocristine

>  <Target> (1,106)
Microtubule Associ

>  <Form> (1,106)
Free Base

>  <URL> (1,106)
http://www.selleckchem.com/products/Vincristine-Sulfate.html

>  <CAS Number> (1,106)
2068-78-2

$$$$
Tenatoprazole.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,107)
1107

>  <Formula> (1,107)
C16H18N4O3S

>  <MolWeight> (1,107)
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>  <Item Name> (1,107)
Tenatoprazole

>  <Catalog Number> (1,107)
S4212

>  <Synonyms> (1,107)
N/A

>  <Target> (1,107)
Proton Pump

>  <Form> (1,107)
Free Base

>  <URL> (1,107)
http://www.selleckchem.com/products/tenatoprazole.html

>  <CAS Number> (1,107)
113712-98-4

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,108)
1108

>  <Formula> (1,108)
C19H20F3IN2O5S

>  <MolWeight> (1,108)
572.3371796

>  <Item Name> (1,108)
Refametinib (RDEA119, Bay 86-9766)

>  <Catalog Number> (1,108)
S1089

>  <Synonyms> (1,108)
BAY 869766

>  <Target> (1,108)
MEK

>  <Form> (1,108)
Free Base

>  <URL> (1,108)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

>  <CAS Number> (1,108)
923032-37-5

$$$$
Meclofenoxate HCl.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,109)
1109

>  <Formula> (1,109)
C12H17Cl2NO3

>  <MolWeight> (1,109)
294.17428

>  <Item Name> (1,109)
Meclofenoxate (Centrophenoxine) HCl

>  <Catalog Number> (1,109)
S4280

>  <Synonyms> (1,109)
N/A

>  <Target> (1,109)
Transferase

>  <Form> (1,109)
Hydrochloride

>  <URL> (1,109)
http://www.selleckchem.com/products/meclofenoxate-centrophenoxine-hci.html

>  <CAS Number> (1,109)
3685-84-5

$$$$
Ospemifene.cdx
csChFnd80/01151910432D

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 21 15  1  0  0  0  0
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 26 16  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,110)
1110

>  <Formula> (1,110)
C24H23ClO2

>  <MolWeight> (1,110)
378.89122

>  <Item Name> (1,110)
Ospemifene

>  <Catalog Number> (1,110)
S4285

>  <Synonyms> (1,110)
N/A

>  <Target> (1,110)
Estrogen/progestogen Receptor

>  <Form> (1,110)
Free Base

>  <URL> (1,110)
http://www.selleckchem.com/products/ospemifene.html

>  <CAS Number> (1,110)
128607-22-7

$$$$
Nelfinavir mesylate .cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,111)
1111

>  <Formula> (1,111)
C33H49N3O7S2

>  <MolWeight> (1,111)
663.88806

>  <Item Name> (1,111)
Nelfinavir Mesylate

>  <Catalog Number> (1,111)
S4282

>  <Synonyms> (1,111)
N/A

>  <Target> (1,111)
HIV Protease

>  <Form> (1,111)
Mesylate

>  <URL> (1,111)
http://www.selleckchem.com/products/nelfinavir-mesylate.html

>  <CAS Number> (1,111)
159989-65-8

$$$$
Chloroprocaine hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,112)
1112

>  <Formula> (1,112)
C13H20Cl2N2O2

>  <MolWeight> (1,112)
307.2161

>  <Item Name> (1,112)
Chloroprocaine HCl

>  <Catalog Number> (1,112)
S4284

>  <Synonyms> (1,112)
N/A

>  <Target> (1,112)
Sodium Channel

>  <Form> (1,112)
Hydrochloride

>  <URL> (1,112)
http://www.selleckchem.com/products/chloroprocaine-hci.html

>  <CAS Number> (1,112)
3858-89-7

$$$$
Carteolol hydrochloride.cdx
csChFnd80/01151910432D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,113)
1113

>  <Formula> (1,113)
C16H25ClN2O3

>  <MolWeight> (1,113)
328.8343

>  <Item Name> (1,113)
Carteolol HCl

>  <Catalog Number> (1,113)
S4278

>  <Synonyms> (1,113)
N/A

>  <Target> (1,113)
Adrenergic Receptor

>  <Form> (1,113)
Hydrochloride

>  <URL> (1,113)
http://www.selleckchem.com/products/carteolol-hci.html

>  <CAS Number> (1,113)
51781-21-6

$$$$
Demeclocycline hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,114)
1114

>  <Formula> (1,114)
C21H22Cl2N2O8

>  <MolWeight> (1,114)
501.31398

>  <Item Name> (1,114)
Demeclocycline HCl

>  <Catalog Number> (1,114)
S4279

>  <Synonyms> (1,114)
N/A

>  <Target> (1,114)
Antifection

>  <Form> (1,114)
Hydrochloride

>  <URL> (1,114)
http://www.selleckchem.com/products/demeclocycline-hci.html

>  <CAS Number> (1,114)
64-73-3

$$$$
Cyclobenzaprine HCl.cdx
csChFnd80/01151910432D

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M  CFW  17 B_NG_STER 2
M  END
>  <Mol_ID> (1,115)
1115

>  <Formula> (1,115)
C20H22ClN

>  <MolWeight> (1,115)
311.84838

>  <Item Name> (1,115)
Cyclobenzaprine HCl

>  <Catalog Number> (1,115)
S4283

>  <Synonyms> (1,115)
N/A

>  <Target> (1,115)
5-HT Receptor

>  <Form> (1,115)
Hydrochloride

>  <URL> (1,115)
http://www.selleckchem.com/products/cyclobenzaprine-hci.html

>  <CAS Number> (1,115)
6202-23-9

$$$$
Anidulafungin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,116)
1116

>  <Formula> (1,116)
C58H73N7O17

>  <MolWeight> (1,116)
1140.23692

>  <Item Name> (1,116)
Anidulafungin (LY303366)

>  <Catalog Number> (1,116)
S4286

>  <Synonyms> (1,116)
N/A

>  <Target> (1,116)
Antifection

>  <Form> (1,116)
Free Base

>  <URL> (1,116)
http://www.selleckchem.com/products/anidulafungin-ly303366.html

>  <CAS Number> (1,116)
166663-25-8

$$$$
Chloroambucil.cdx
csChFnd80/01151910432D

 19 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
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M  END
>  <Mol_ID> (1,117)
1117

>  <Formula> (1,117)
C14H19Cl2NO2

>  <MolWeight> (1,117)
304.21216

>  <Item Name> (1,117)
Chloroambucil

>  <Catalog Number> (1,117)
S4288

>  <Synonyms> (1,117)
Chlorambucil

>  <Target> (1,117)
DNA/RNA Synthesis

>  <Form> (1,117)
Free Base

>  <URL> (1,117)
http://www.selleckchem.com/products/chloroambucil.html

>  <CAS Number> (1,117)
305-03-3

$$$$
Bambuterol HCl.cdx
csChFnd80/01151910432D

 27 26  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,118)
1118

>  <Formula> (1,118)
C18H30ClN3O5

>  <MolWeight> (1,118)
403.9009

>  <Item Name> (1,118)
Bambuterol HCl

>  <Catalog Number> (1,118)
S4277

>  <Synonyms> (1,118)
N/A

>  <Target> (1,118)
Adrenergic Receptor

>  <Form> (1,118)
Hydrochloride

>  <URL> (1,118)
http://www.selleckchem.com/products/bambuterol-hci.html

>  <CAS Number> (1,118)
81732-46-9

$$$$
Promethazine hydrochloride.cdx
csChFnd80/01151910432D

 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
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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M  END
>  <Mol_ID> (1,119)
1119

>  <Formula> (1,119)
C17H21ClN2S

>  <MolWeight> (1,119)
320.88004

>  <Item Name> (1,119)
Promethazine HCl

>  <Catalog Number> (1,119)
S4293

>  <Synonyms> (1,119)
N/A

>  <Target> (1,119)
Histamine Receptor

>  <Form> (1,119)
Hydrochloride

>  <URL> (1,119)
http://www.selleckchem.com/products/promethazine-hcl.html

>  <CAS Number> (1,119)
58-33-3

$$$$
MetoclopraMide HCl.cdx
csChFnd80/01151910432D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,120)
1120

>  <Formula> (1,120)
C14H23Cl2N3O2

>  <MolWeight> (1,120)
336.25732

>  <Item Name> (1,120)
MetoclopraMide HCl

>  <Catalog Number> (1,120)
S4289

>  <Synonyms> (1,120)
N/A

>  <Target> (1,120)
Dopamine Receptor

>  <Form> (1,120)
Hydrochloride

>  <URL> (1,120)
http://www.selleckchem.com/products/metoclopramide-hcl.html

>  <CAS Number> (1,120)
7232-21-5

$$$$
Rotigotine.cdx
csChFnd80/01151910432D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,121)
1121

>  <Formula> (1,121)
C19H25NOS

>  <MolWeight> (1,121)
315.4729

>  <Item Name> (1,121)
Rotigotine

>  <Catalog Number> (1,121)
S4274

>  <Synonyms> (1,121)
N/A

>  <Target> (1,121)
Dopamine Receptor

>  <Form> (1,121)
Free Base

>  <URL> (1,121)
http://www.selleckchem.com/products/rotigotine.html

>  <CAS Number> (1,121)
99755-59-6

$$$$
Diphenidol hydrochloride.cdx
csChFnd80/01151910432D

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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> (1,122)
1122

>  <Formula> (1,122)
C21H28ClNO

>  <MolWeight> (1,122)
345.90612

>  <Item Name> (1,122)
Diphenidol HCl

>  <Catalog Number> (1,122)
S4292

>  <Synonyms> (1,122)
N/A

>  <Target> (1,122)
AChR

>  <Form> (1,122)
Hydrochloride

>  <URL> (1,122)
http://www.selleckchem.com/products/diphenidol-hcl.html

>  <CAS Number> (1,122)
3254-89-5

$$$$
Digoxin .cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,123)
1123

>  <Formula> (1,123)
C41H64O14

>  <MolWeight> (1,123)
780.93846

>  <Item Name> (1,123)
Digoxin

>  <Catalog Number> (1,123)
S4290

>  <Synonyms> (1,123)
N/A

>  <Target> (1,123)
Sodium Channel

>  <Form> (1,123)
Free Base

>  <URL> (1,123)
http://www.selleckchem.com/products/digoxin.html

>  <CAS Number> (1,123)
20830-75-5

$$$$
Dicoumarol.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,124)
1124

>  <Formula> (1,124)
C19H12O6

>  <MolWeight> (1,124)
336.29498

>  <Item Name> (1,124)
Dicoumarol

>  <Catalog Number> (1,124)
S4299

>  <Synonyms> (1,124)
Dicumarol

>  <Target> (1,124)
Others

>  <Form> (1,124)
Free Base

>  <URL> (1,124)
http://www.selleckchem.com/products/dicoumarol.html

>  <CAS Number> (1,124)
66-76-2

$$$$
Procainamide hydrochloride.cdx
csChFnd80/01151910432D

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 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,125)
1125

>  <Formula> (1,125)
C13H22ClN3O

>  <MolWeight> (1,125)
271.78628

>  <Item Name> (1,125)
Procainamide HCl

>  <Catalog Number> (1,125)
S4294

>  <Synonyms> (1,125)
N/A

>  <Target> (1,125)
Sodium Channel

>  <Form> (1,125)
Hydrochloride

>  <URL> (1,125)
http://www.selleckchem.com/products/procainamide-hcl.html

>  <CAS Number> (1,125)
614-39-1

$$$$
Labetalol hydrochloride.cdx
csChFnd80/01151910432D

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 24 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,126)
1126

>  <Formula> (1,126)
C19H25ClN2O3

>  <MolWeight> (1,126)
364.8664

>  <Item Name> (1,126)
Labetalol HCl

>  <Catalog Number> (1,126)
S4291

>  <Synonyms> (1,126)
N/A

>  <Target> (1,126)
Adrenergic Receptor

>  <Form> (1,126)
Hydrochloride

>  <URL> (1,126)
http://www.selleckchem.com/products/labetalol-hcl.html

>  <CAS Number> (1,126)
32780-64-6

$$$$
Meclofenamate sodium.cdx
csChFnd80/01151910432D

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  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> (1,127)
1127

>  <Formula> (1,127)
C14H10Cl2NNaO2

>  <MolWeight> (1,127)
318.13047

>  <Item Name> (1,127)
Meclofenamate sodium

>  <Catalog Number> (1,127)
S4295

>  <Synonyms> (1,127)
N/A

>  <Target> (1,127)
COX

>  <Form> (1,127)
Sodium Salt

>  <URL> (1,127)
http://www.selleckchem.com/products/meclofenamate-sodium.html

>  <CAS Number> (1,127)
6385-02-0

$$$$
Mefloquine hydrochloride.cdx
csChFnd80/01151910432D

 28 29  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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 22 28  1  6  0  0  0
M  END
>  <Mol_ID> (1,128)
1128

>  <Formula> (1,128)
C17H17ClF6N2O

>  <MolWeight> (1,128)
414.7730992

>  <Item Name> (1,128)
Mefloquine HCl

>  <Catalog Number> (1,128)
S4420

>  <Synonyms> (1,128)
N/A

>  <Target> (1,128)
Antifection

>  <Form> (1,128)
Hydrochloride

>  <URL> (1,128)
http://www.selleckchem.com/products/mefloquine-hcl.html

>  <CAS Number> (1,128)
51773-92-3

$$$$
Aliskiren hemifumarate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,129)
1129

>  <Formula> (1,129)
C64H110N6O16

>  <MolWeight> (1,129)
1219.5888

>  <Item Name> (1,129)
Aliskiren Hemifumarate

>  <Catalog Number> (1,129)
S2199

>  <Synonyms> (1,129)
N/A

>  <Target> (1,129)
RAAS

>  <Form> (1,129)
fumarate salt

>  <URL> (1,129)
http://www.selleckchem.com/products/Aliskiren-hemifumarate.html

>  <CAS Number> (1,129)
173334-58-2

$$$$
Bepotastine besilate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,130)
1130

>  <Formula> (1,130)
C27H31ClN2O6S

>  <MolWeight> (1,130)
547.06284

>  <Item Name> (1,130)
Bepotastine Besilate

>  <Catalog Number> (1,130)
S3037

>  <Synonyms> (1,130)
N/A

>  <Target> (1,130)
Histamine Receptor

>  <Form> (1,130)
Besilate salt

>  <URL> (1,130)
http://www.selleckchem.com/products/bepotastine-besilate.html

>  <CAS Number> (1,130)
190786-44-8

$$$$
Daptomycin.cdx
csChFnd80/01151910432D

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>  <Formula> (1,131)
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Daptomycin

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S1373

>  <Synonyms> (1,131)
LY146032

>  <Target> (1,131)
Others

>  <Form> (1,131)
Free Base

>  <URL> (1,131)
http://www.selleckchem.com/products/Daptomycin.html

>  <CAS Number> (1,131)
103060-53-3

$$$$
Doripenem Hydrate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,132)
1132

>  <Formula> (1,132)
C15H26N4O7S2

>  <MolWeight> (1,132)
438.51954

>  <Item Name> (1,132)
Doripenem Hydrate

>  <Catalog Number> (1,132)
S1374

>  <Synonyms> (1,132)
S-4661

>  <Target> (1,132)
Antifection

>  <Form> (1,132)
Hydrate

>  <URL> (1,132)
http://www.selleckchem.com/products/Doripenem-Hydrate.html

>  <CAS Number> (1,132)
364622-82-2

$$$$
Fesoterodine fumarate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,133)
1133

>  <Formula> (1,133)
C30H41NO7

>  <MolWeight> (1,133)
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>  <Item Name> (1,133)
Fesoterodine Fumarate

>  <Catalog Number> (1,133)
S2240

>  <Synonyms> (1,133)
N/A

>  <Target> (1,133)
AChR

>  <Form> (1,133)
Fumarate

>  <URL> (1,133)
http://www.selleckchem.com/products/Fesoterodine-fumarate-Toviaz.html

>  <CAS Number> (1,133)
286930-03-8

$$$$
Fosaprepitant dimeglumine.cdx
csChFnd80/01151910432D

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   16.1985    7.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   19.8358    7.1073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.0483    7.8073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   17.1915    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4039    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.6163    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.8288    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.0412    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.2536    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> (1,134)
1134

>  <Formula> (1,134)
C37H56F7N6O16P

>  <MolWeight> (1,134)
1004.8337234

>  <Item Name> (1,134)
Fosaprepitant dimeglumine salt

>  <Catalog Number> (1,134)
S3038

>  <Synonyms> (1,134)
MK-0517

>  <Target> (1,134)
Others

>  <Form> (1,134)
dimeglumine salt

>  <URL> (1,134)
http://www.selleckchem.com/products/fosaprepitant.html

>  <CAS Number> (1,134)
265121-04-8

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/01151910432D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    4.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5240    2.1559    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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 10  5  1  0  0  0  0
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 26 21  1  0  0  0  0
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  9 28  1  1  0  0  0
 17 29  1  1  0  0  0
 24 30  1  0  0  0  0
 16 31  1  6  0  0  0
M  END
>  <Mol_ID> (1,135)
1135

>  <Formula> (1,135)
C22H26ClF2NO4

>  <MolWeight> (1,135)
441.8959464

>  <Item Name> (1,135)
Nebivolol HCl

>  <Catalog Number> (1,135)
S1549

>  <Synonyms> (1,135)
N/A

>  <Target> (1,135)
Adrenergic Receptor

>  <Form> (1,135)
Hydrochloride

>  <URL> (1,135)
http://www.selleckchem.com/products/Nebivolol(Bystolic).html

>  <CAS Number> (1,135)
152520-56-4

$$$$
Ouabain Octahydrate.cdx
csChFnd80/01151910432D

 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> (1,136)
1136

>  <Formula> (1,136)
C29H60O20

>  <MolWeight> (1,136)
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>  <Item Name> (1,136)
Ouabain

>  <Catalog Number> (1,136)
S4016

>  <Synonyms> (1,136)
N/A

>  <Target> (1,136)
Sodium Channel

>  <Form> (1,136)
Free Base

>  <URL> (1,136)
http://www.selleckchem.com/products/ouabain.html

>  <CAS Number> (1,136)
630-60-4

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,137)
1137

>  <Formula> (1,137)
C44H69NO12

>  <MolWeight> (1,137)
804.01816

>  <Item Name> (1,137)
Tacrolimus (FK506)

>  <Catalog Number> (1,137)
S5003

>  <Synonyms> (1,137)
FR900506

>  <Target> (1,137)
mTOR

>  <Form> (1,137)
Free Base

>  <URL> (1,137)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

>  <CAS Number> (1,137)
104987-11-3

$$$$
Rosuvastatin calcium.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,138)
1138

>  <Formula> (1,138)
C44H54CaF2N6O12S2

>  <MolWeight> (1,138)
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>  <Item Name> (1,138)
Rosuvastatin Calcium

>  <Catalog Number> (1,138)
S2169

>  <Synonyms> (1,138)
ZD4522

>  <Target> (1,138)
HMG-CoA Reductase

>  <Form> (1,138)
Calcium salt

>  <URL> (1,138)
http://www.selleckchem.com/products/Rosuvastatin-calcium(Crestor).html

>  <CAS Number> (1,138)
147098-20-2

$$$$
R-Ruxolitinib.cdx
csChFnd80/01151910432D

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>  <Item Name> (1,139)
Ruxolitinib (INCB018424)

>  <Catalog Number> (1,139)
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>  <Synonyms> (1,139)
N/A

>  <Target> (1,139)
JAK

>  <Form> (1,139)
Free Base

>  <URL> (1,139)
http://www.selleckchem.com/products/INCB18424.html

>  <CAS Number> (1,139)
941678-49-5

$$$$
Temsirolimus.cdx
csChFnd80/01151910432D

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C56H87NO16

>  <MolWeight> (1,140)
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>  <Item Name> (1,140)
Temsirolimus (CCI-779, NSC 683864)

>  <Catalog Number> (1,140)
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>  <Synonyms> (1,140)
N/A

>  <Target> (1,140)
mTOR

>  <Form> (1,140)
Free Base

>  <URL> (1,140)
http://www.selleckchem.com/products/Temsirolimus.html

>  <CAS Number> (1,140)
162635-04-3

$$$$
Mupirocin .cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,141)
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>  <Formula> (1,141)
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>  <MolWeight> (1,141)
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>  <Item Name> (1,141)
Mupirocin

>  <Catalog Number> (1,141)
S4297

>  <Synonyms> (1,141)
N/A

>  <Target> (1,141)
DNA/RNA Synthesis

>  <Form> (1,141)
Free Base

>  <URL> (1,141)
http://www.selleckchem.com/products/mupirocin.html

>  <CAS Number> (1,141)
12650-69-0

$$$$
Salmeterol xinafoate.cdx
csChFnd80/01151910432D

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 33 32  1  0  0  0  0
 28 34  1  0  0  0  0
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 44 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,142)
1142

>  <Formula> (1,142)
C36H45NO7

>  <MolWeight> (1,142)
603.745

>  <Item Name> (1,142)
Salmeterol Xinafoate

>  <Catalog Number> (1,142)
S4296

>  <Synonyms> (1,142)
N/A

>  <Target> (1,142)
Adrenergic Receptor

>  <Form> (1,142)
xinafoate

>  <URL> (1,142)
http://www.selleckchem.com/products/salmeterol-xinafoate.html

>  <CAS Number> (1,142)
94749-08-3

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,143)
1143

>  <Formula> (1,143)
C25H31N7O6

>  <MolWeight> (1,143)
525.55694

>  <Item Name> (1,143)
ENMD-2076 L-(+)-Tartaric acid

>  <Catalog Number> (1,143)
S2018

>  <Synonyms> (1,143)
N/A

>  <Target> (1,143)
FLT3

>  <Form> (1,143)
Free Base

>  <URL> (1,143)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

>  <CAS Number> (1,143)
1291074-87-7

$$$$
(R)-Nepicastat HCL(RS-25560-198).cdx
csChFnd80/01151910432D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,144)
1144

>  <Formula> (1,144)
C14H16ClF2N3S

>  <MolWeight> (1,144)
331.8117464

>  <Item Name> (1,144)
(R)-Nepicastat HCl

>  <Catalog Number> (1,144)
S4926

>  <Synonyms> (1,144)
RS-25560-198 HCl

>  <Target> (1,144)
Hydroxylase

>  <Form> (1,144)
Hydrochloride

>  <URL> (1,144)
http://www.selleckchem.com/products/r-nepicastat-hcl.html

>  <CAS Number> (1,144)
195881-94-8

$$$$
Disopyramide Phosphate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,145)
1145

>  <Formula> (1,145)
C21H32N3O5P

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437.469641

>  <Item Name> (1,145)
Pentoxyverine Citrate

>  <Catalog Number> (1,145)
S4143

>  <Synonyms> (1,145)
Carbetapentane Citrate

>  <Target> (1,145)
AChR

>  <Form> (1,145)
Citrate

>  <URL> (1,145)
http://www.selleckchem.com/products/pentoxyverine-carbetapentane-citrate.html

>  <CAS Number> (1,145)
23142-01-0

$$$$
levobupivacaine hydrochloride.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,146)
1146

>  <Formula> (1,146)
C18H29ClN2O

>  <MolWeight> (1,146)
324.88866

>  <Item Name> (1,146)
Levobupivacaine HCl

>  <Catalog Number> (1,146)
S4061

>  <Synonyms> (1,146)
N/A

>  <Target> (1,146)
Sodium Channel

>  <Form> (1,146)
Hydrochloride

>  <URL> (1,146)
http://www.selleckchem.com/products/lvobupivacaine-hcl.html

>  <CAS Number> (1,146)
27262-48-2

$$$$
Ketorolac.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,147)
1147

>  <Formula> (1,147)
C15H13NO3

>  <MolWeight> (1,147)
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Ketorolac

>  <Catalog Number> (1,147)
S1646

>  <Synonyms> (1,147)
N/A

>  <Target> (1,147)
COX

>  <Form> (1,147)
Free Base

>  <URL> (1,147)
http://www.selleckchem.com/products/Ketorolac-Tromethamine(Toradol).html

>  <CAS Number> (1,147)
74103-07-4

$$$$
ACILAC (lactulose).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,148)
1148

>  <Formula> (1,148)
C12H22O11

>  <MolWeight> (1,148)
342.29648

>  <Item Name> (1,148)
Lactulose

>  <Catalog Number> (1,148)
S1511

>  <Synonyms> (1,148)
N/A

>  <Target> (1,148)
Others

>  <Form> (1,148)
Free Base

>  <URL> (1,148)
http://www.selleckchem.com/products/Lactulose(Enulose).html

>  <CAS Number> (1,148)
4618-18-2

$$$$
PF-2341066.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,149)
1149

>  <Formula> (1,149)
C21H22Cl2FN5O

>  <MolWeight> (1,149)
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>  <Item Name> (1,149)
Crizotinib (PF-02341066)

>  <Catalog Number> (1,149)
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>  <Synonyms> (1,149)
N/A 

>  <Target> (1,149)
c-Met, ALK

>  <Form> (1,149)
Free Base

>  <URL> (1,149)
http://www.selleckchem.com/products/PF-2341066.html

>  <CAS Number> (1,149)
877399-52-5, 877399-53-6 (acetate)

$$$$
Eltrombopag diethanolamine salt.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,150)
1150

>  <Formula> (1,150)
C29H36N6O6

>  <MolWeight> (1,150)
564.63274

>  <Item Name> (1,150)
Eltrombopag olamine

>  <Catalog Number> (1,150)
S2229

>  <Synonyms> (1,150)
SB-497115-GR, SB497115

>  <Target> (1,150)
Thrombin

>  <Form> (1,150)
diolamine

>  <URL> (1,150)
http://www.selleckchem.com/products/Eltrombopag-SB-497115-GR.html

>  <CAS Number> (1,150)
496775-62-3

$$$$
S4002.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,151)
1151

>  <Formula> (1,151)
C16H20F6N5O6P

>  <MolWeight> (1,151)
523.3240802

>  <Item Name> (1,151)
Sitagliptin phosphate monohydrate

>  <Catalog Number> (1,151)
S4002

>  <Synonyms> (1,151)
MK-0431

>  <Target> (1,151)
DPP-4

>  <Form> (1,151)
phosphate &monohydrate

>  <URL> (1,151)
http://www.selleckchem.com/products/Sitagliptin.html

>  <CAS Number> (1,151)
654671-77-9

$$$$
S3027.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,152)
1152

>  <Formula> (1,152)
C30H30CaO8

>  <MolWeight> (1,152)
558.6324

>  <Item Name> (1,152)
Fenoprofen calcium hydrate

>  <Catalog Number> (1,152)
S3027

>  <Synonyms> (1,152)
N/A

>  <Target> (1,152)
Immunology & Inflammation related

>  <Form> (1,152)
Calcium dihydrate salt

>  <URL> (1,152)
http://www.selleckchem.com/products/fenoprofen-calcium-hydrate.html

>  <CAS Number> (1,152)
71720-56-4

$$$$
S4059.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,153)
1153

>  <Formula> (1,153)
C5FeN6Na2O

>  <MolWeight> (1,153)
261.91764

>  <Item Name> (1,153)
Sodium Nitroprusside

>  <Catalog Number> (1,153)
S4059

>  <Synonyms> (1,153)
N/A

>  <Target> (1,153)
Others

>  <Form> (1,153)
Fe complex

>  <URL> (1,153)
http://www.selleckchem.com/products/sodium-nitroprusside.html

>  <CAS Number> (1,153)
14402-89-2

$$$$
Sertaconazole nitrate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,154)
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>  <Formula> (1,154)
C20H16Cl3N3O4S

>  <MolWeight> (1,154)
500.78274

>  <Item Name> (1,154)
Sertaconazole nitrate

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S3161

>  <Synonyms> (1,154)
FI-7045

>  <Target> (1,154)
Antifection

>  <Form> (1,154)
Nitrate

>  <URL> (1,154)
http://www.selleckchem.com/products/sertaconazole-nitrate.html

>  <CAS Number> (1,154)
99592-39-9

$$$$
S4503.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,155)
1155

>  <Formula> (1,155)
C18H32CaN2O10

>  <MolWeight> (1,155)
476.53208

>  <Item Name> (1,155)
Calcium D-Panthotenate

>  <Catalog Number> (1,155)
S4503

>  <Synonyms> (1,155)
D-Pantothenic Acid Calcium

>  <Target> (1,155)
Vitamin

>  <Form> (1,155)
Free Base

>  <URL> (1,155)
http://www.selleckchem.com/products/calcium-d-panthotenate.html

>  <CAS Number> (1,155)
137-08-6

$$$$
Gossypol-a ceticacid.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,156)
1156

>  <Formula> (1,156)
C32H34O10

>  <MolWeight> (1,156)
578.60636

>  <Item Name> (1,156)
gossypol-Acetic acid

>  <Catalog Number> (1,156)
S2303

>  <Synonyms> (1,156)
Pogosin, AT101

>  <Target> (1,156)
Dehydrogenase

>  <Form> (1,156)
Acetate

>  <URL> (1,156)
http://www.selleckchem.com/products/Gossypol.html

>  <CAS Number> (1,156)
12542-36-8

$$$$
S1096-JNJ26481585.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,157)
1157

>  <Formula> (1,157)
C21H28Cl2N6O2

>  <MolWeight> (1,157)
467.39202

>  <Item Name> (1,157)
Quisinostat (JNJ-26481585) 2HCl

>  <Catalog Number> (1,157)
S1096

>  <Synonyms> (1,157)
N/A

>  <Target> (1,157)
HDAC

>  <Form> (1,157)
Dihydrochloride

>  <URL> (1,157)
http://www.selleckchem.com/products/JNJ-26481585.html

>  <CAS Number> (1,157)
875320-31-3

$$$$
6-Mercaptopurine monohydrate.cdx
csChFnd80/01151910432D

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1158

>  <Formula> (1,158)
C5H6N4OS

>  <MolWeight> (1,158)
170.19234

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6-Mercaptopurine (6-MP) Monohydrate

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S4504

>  <Synonyms> (1,158)
N/A

>  <Target> (1,158)
DNA/RNA Synthesis

>  <Form> (1,158)
Monohydrate

>  <URL> (1,158)
http://www.selleckchem.com/products/6-mercaptopurine-6-mp-monohydrate.html

>  <CAS Number> (1,158)
6112-76-1

$$$$
Vinblastine sulfate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,159)
1159

>  <Formula> (1,159)
C46H60N4O13S

>  <MolWeight> (1,159)
909.0526

>  <Item Name> (1,159)
Vinblastine sulfate

>  <Catalog Number> (1,159)
S4505

>  <Synonyms> (1,159)
NSC49842

>  <Target> (1,159)
Microtubule Associated

>  <Form> (1,159)
Free Base

>  <URL> (1,159)
http://www.selleckchem.com/products/vinblastine-sulfate.html

>  <CAS Number> (1,159)
143-67-9

$$$$
Acetazolamide.cdx
csChFnd80/01151910432D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.7037    1.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,160)
1160

>  <Formula> (1,160)
C4H6N4O3S2

>  <MolWeight> (1,160)
222.24544

>  <Item Name> (1,160)
Acetazolamide

>  <Catalog Number> (1,160)
S4506

>  <Synonyms> (1,160)
Diamox

>  <Target> (1,160)
Carbonic Anhydrase

>  <Form> (1,160)
Free Base

>  <URL> (1,160)
http://www.selleckchem.com/products/acetazolamide.html

>  <CAS Number> (1,160)
59-66-5

$$$$
17-Hydroxyprogesterone.cdx
csChFnd80/01151910432D

 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> (1,161)
1161

>  <Formula> (1,161)
C21H30O3

>  <MolWeight> (1,161)
330.4611

>  <Item Name> (1,161)
17-Hydroxyprogesterone

>  <Catalog Number> (1,161)
S4507

>  <Synonyms> (1,161)
N/A

>  <Target> (1,161)
Estrogen/progestogen Receptor

>  <Form> (1,161)
Free Base

>  <URL> (1,161)
http://www.selleckchem.com/products/17-hydroxyprogesterone.html

>  <CAS Number> (1,161)
68-96-2

$$$$
Chloroxylenol.cdx
csChFnd80/01151910432D

 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
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    0.0000    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> (1,162)
1162

>  <Formula> (1,162)
C8H9ClO

>  <MolWeight> (1,162)
156.60946

>  <Item Name> (1,162)
Chloroxylenol

>  <Catalog Number> (1,162)
S4518

>  <Synonyms> (1,162)
N/A

>  <Target> (1,162)
Antifection

>  <Form> (1,162)
Free Base

>  <URL> (1,162)
http://www.selleckchem.com/products/chloroxylenol.html

>  <CAS Number> (1,162)
88-04-0

$$$$
Cefotaxime sodium.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (1,163)
1163

>  <Formula> (1,163)
C16H16N5NaO7S2

>  <MolWeight> (1,163)
477.44731

>  <Item Name> (1,163)
Cefotaxime sodium

>  <Catalog Number> (1,163)
S4517

>  <Synonyms> (1,163)
N/A

>  <Target> (1,163)
Antifection

>  <Form> (1,163)
Sodium Salt

>  <URL> (1,163)
http://www.selleckchem.com/products/cefotaxime-sodium.html

>  <CAS Number> (1,163)
64485-93-4

$$$$
Fenofibric acid.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,164)
1164

>  <Formula> (1,164)
C17H15ClO4

>  <MolWeight> (1,164)
318.7516

>  <Item Name> (1,164)
Fenofibric acid

>  <Catalog Number> (1,164)
S4527

>  <Synonyms> (1,164)
NSC 281318, Trilipix, FNF acid

>  <Form> (1,164)
Free Base

>  <URL> (1,164)
http://www.selleckchem.com/products/fenofibric-acid.html

>  <CAS Number> (1,164)
42017-89-0

$$$$
Fenbufen.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,165)
1165

>  <Formula> (1,165)
C16H14O3

>  <MolWeight> (1,165)
254.28056

>  <Item Name> (1,165)
Fenbufen

>  <Catalog Number> (1,165)
S4526

>  <Synonyms> (1,165)
Lederfen, CL-82204

>  <Target> (1,165)
COX

>  <Form> (1,165)
Free Base

>  <URL> (1,165)
http://www.selleckchem.com/products/fenbufen.html

>  <CAS Number> (1,165)
36330-85-5

$$$$
Pentamidine isethionate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,166)
1166

>  <Formula> (1,166)
C23H36N4O10S2

>  <MolWeight> (1,166)
592.68274

>  <Item Name> (1,166)
Pentamidine isethionate

>  <Catalog Number> (1,166)
S4007

>  <Synonyms> (1,166)
N/A

>  <Target> (1,166)
Others

>  <Form> (1,166)
Free Base

>  <URL> (1,166)
http://www.selleckchem.com/products/pentamidine-isethionate.html

>  <CAS Number> (1,166)
140-64-7

$$$$
Esomeprazole sodium.cdx
csChFnd80/01151910432D

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  7  8  1  0  0  0  0
  8  9  2  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
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 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 15  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,167)
1167

>  <Formula> (1,167)
C17H18N3NaO3S

>  <MolWeight> (1,167)
367.39789

>  <Item Name> (1,167)
Esomeprazole sodium

>  <Catalog Number> (1,167)
S2233

>  <Synonyms> (1,167)
N/A

>  <Target> (1,167)
ATPase

>  <Form> (1,167)
Sodium salt

>  <URL> (1,167)
http://www.selleckchem.com/products/esomeprazole-sodium.html

>  <CAS Number> (1,167)
161796-78-7

$$$$
NEXIUM (esomeprazole magnesium).cdx
csChFnd80/01151910432D

 49 52  0  0  0  0  0  0  0  0999 V2000
    2.4165    6.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    6.2016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9818    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7450    4.6735    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   10.6818    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0818    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7818    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0818    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7793    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1248    7.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1248    6.0412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3372    5.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5497    6.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5497    7.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3372    8.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7579    8.1388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9661    7.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7579    5.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3372    9.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9166    8.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7083    7.4412    0.0000 S   0  0  1  0  0  0  0  0  0  0  0  0
   12.5001    8.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7083    6.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3538    9.5311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9844    9.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2844    8.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2212    7.5694    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   10.2844   11.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8844   11.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1844    9.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8844    8.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1868   12.2429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7868   12.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5731    6.2454    0.0000 Mg  0  2  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
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 12 14  2  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
 18 13  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 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  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 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 33  1  0  0  0  0
 30 34  1  0  0  0  0
 25 35  1  0  0  0  0
 36 35  1  6  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 37  1  0  0  0  0
 40 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 41  1  0  0  0  0
 44 47  1  0  0  0  0
 47 48  1  0  0  0  0
M  END
>  <Mol_ID> (1,168)
1168

>  <Formula> (1,168)
C34H36MgN6O6S2

>  <MolWeight> (1,168)
713.12124

>  <Item Name> (1,168)
NEXIUM (esomeprazole magnesium)

>  <Catalog Number> (1,168)
S1743

>  <Synonyms> (1,168)
N/A

>  <Target> (1,168)
Proton Pump

>  <Form> (1,168)
Magnesium salt

>  <URL> (1,168)
http://www.selleckchem.com/products/nexium-esomeprazole-magnesium.html

>  <CAS Number> (1,168)
161973-10-0

$$$$
i-Inositol.cdx
csChFnd80/01151910432D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    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  1  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
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  2  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    5.6000    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
    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
    4.8497    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  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
  6  8  1  1  0  0  0
  5  9  1  1  0  0  0
  3 10  1  1  0  0  0
  2 11  1  6  0  0  0
  4 12  1  6  0  0  0
M  END
>  <Mol_ID> (1,169)
1169

>  <Formula> (1,169)
C6H12O6

>  <MolWeight> (1,169)
180.15588

>  <Item Name> (1,169)
i-Inositol

>  <Catalog Number> (1,169)
S4530

>  <Synonyms> (1,169)
myo-inositol

>  <Target> (1,169)
Others

>  <Form> (1,169)
Free Base

>  <URL> (1,169)
http://www.selleckchem.com/products/i-inositol.html

>  <CAS Number> (1,169)
87-89-8

$$$$
Furazolidone.cdx
csChFnd80/01151910432D

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.9282    2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1745    2.2066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6696    2.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1742    4.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1836    3.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4906    3.0085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5733    4.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5638    2.9338    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2473    2.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0528    1.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4536    4.0081    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0317    0.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9819    2.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6567    0.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0325    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9756    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  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 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 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,170)
1170

>  <Formula> (1,170)
C8H7N3O5

>  <MolWeight> (1,170)
225.15828

>  <Item Name> (1,170)
Furazolidone

>  <Catalog Number> (1,170)
S4528

>  <Synonyms> (1,170)
N/A

>  <Target> (1,170)
Antifection

>  <Form> (1,170)
Free Base

>  <URL> (1,170)
http://www.selleckchem.com/products/furazolidone.html

>  <CAS Number> (1,170)
67-45-8

$$$$
Citric acid trilithium salt tetrahydrate.cdx
csChFnd80/01151910432D

 20 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 Li  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    2.8000    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
    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
    4.8497    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    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 Li  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
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 Li  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
   16.3113   28.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5890   28.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4502   18.7078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7279   18.7078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  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
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 16  2  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,171)
1171

>  <Formula> (1,171)
C6H13Li3O11

>  <MolWeight> (1,171)
281.98382

>  <Item Name> (1,171)
Citric acid trilithium salt tetrahydrate

>  <Catalog Number> (1,171)
S4519

>  <Synonyms> (1,171)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (1,171)
Others

>  <Form> (1,171)
Free Base

>  <URL> (1,171)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

>  <CAS Number> (1,171)
6080-58-6

$$$$
4-Aminoantipyrine.cdx
csChFnd80/01151910432D

 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> (1,172)
1172

>  <Formula> (1,172)
C11H13N3O

>  <MolWeight> (1,172)
203.24042

>  <Item Name> (1,172)
4-Aminoantipyrine

>  <Catalog Number> (1,172)
S4509

>  <Synonyms> (1,172)
Ampyrone, NSC 60242, Metapirazone, Solnapyrin-A, Solvapyrin-A, Minoazophene, Aminoazophene, Aminoanti

>  <Target> (1,172)
Orhers

>  <Form> (1,172)
Free Base

>  <URL> (1,172)
http://www.selleckchem.com/products/4-aminoantipyrine.html

>  <CAS Number> (1,172)
83-07-8

$$$$
Ethylparaben.cdx
csChFnd80/01151910432D

 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> (1,173)
1173

>  <Formula> (1,173)
C9H10O3

>  <MolWeight> (1,173)
166.1739

>  <Item Name> (1,173)
Ethylparaben

>  <Catalog Number> (1,173)
S4525

>  <Synonyms> (1,173)
Ethyl parahydroxybenzoate, Ethyl 4-hydroxybenzoate

>  <Target> (1,173)
Antifection

>  <Form> (1,173)
Free Base

>  <URL> (1,173)
http://www.selleckchem.com/products/ethylparaben.html

>  <CAS Number> (1,173)
120-47-8

$$$$
Iopamidol.cdx
csChFnd80/01151910432D

 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> (1,174)
1174

>  <Formula> (1,174)
C17H22I3N3O8

>  <MolWeight> (1,174)
777.08529

>  <Item Name> (1,174)
Iopamidol

>  <Catalog Number> (1,174)
S4532

>  <Synonyms> (1,174)
Iopamiro, Isovue, Iopamiron, Niopam, Solutrast

>  <Target> (1,174)
Others

>  <Form> (1,174)
Free Base

>  <URL> (1,174)
http://www.selleckchem.com/products/iopamidol.html

>  <CAS Number> (1,174)
60166-93-0

$$$$
Nitrofurantoin.cdx
csChFnd80/01151910432D

 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> (1,175)
1175

>  <Formula> (1,175)
C8H6N4O5

>  <MolWeight> (1,175)
238.15704

>  <Item Name> (1,175)
Nitrofurantoin

>  <Catalog Number> (1,175)
S4536

>  <Synonyms> (1,175)
Macrodantin, Furadantine, Furadonine

>  <Target> (1,175)
Antifection

>  <Form> (1,175)
Free Base

>  <URL> (1,175)
http://www.selleckchem.com/products/nitrofurantoin.html

>  <CAS Number> (1,175)
67-20-9

$$$$
Dehydroacetic acid.cdx
csChFnd80/01151910432D

 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> (1,176)
1176

>  <Formula> (1,176)
C8H8O4

>  <MolWeight> (1,176)
168.14672

>  <Item Name> (1,176)
Dehydroacetic acid

>  <Catalog Number> (1,176)
S4522

>  <Synonyms> (1,176)
Biocide 470F, Methylacetopyronone

>  <Target> (1,176)
Antifection

>  <Form> (1,176)
Free Base

>  <URL> (1,176)
http://www.selleckchem.com/products/dehydroacetic-acid.html

>  <CAS Number> (1,176)
520-45-6

$$$$
Acetylleucine.cdx
csChFnd80/01151910432D

 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> (1,177)
1177

>  <Formula> (1,177)
C8H15NO3

>  <MolWeight> (1,177)
173.2096

>  <Item Name> (1,177)
Acetylleucine

>  <Catalog Number> (1,177)
S4514

>  <Synonyms> (1,177)
N-acetyl-L-leucine

>  <Target> (1,177)
Others

>  <Form> (1,177)
Free Base

>  <URL> (1,177)
http://www.selleckchem.com/products/acetylleucine.html

>  <CAS Number> (1,177)
99-15-0

$$$$
Aceglutamide.cdx
csChFnd80/01151910432D

 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> (1,178)
1178

>  <Formula> (1,178)
C7H12N2O4

>  <MolWeight> (1,178)
188.18118

>  <Item Name> (1,178)
Aceglutamide

>  <Catalog Number> (1,178)
S4512

>  <Synonyms> (1,178)
¦Á-N-Acetyl-L-glutamine, N2-Acetylglutamine

>  <Target> (1,178)
Others

>  <Form> (1,178)
Free Base

>  <URL> (1,178)
http://www.selleckchem.com/products/aceglutamide.html

>  <CAS Number> (1,178)
2490-97-3

$$$$
Bucetin.cdx
csChFnd80/01151910432D

 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
  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
  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> (1,179)
1179

>  <Formula> (1,179)
C12H17NO3

>  <MolWeight> (1,179)
223.26828

>  <Item Name> (1,179)
Bucetin

>  <Catalog Number> (1,179)
S4554

>  <Synonyms> (1,179)
N/A

>  <Target> (1,179)
Others

>  <Form> (1,179)
Free Base

>  <URL> (1,179)
http://www.selleckchem.com/products/bucetin.html

>  <CAS Number> (1,179)
1083-57-4

$$$$
Bithionol.cdx
csChFnd80/01151910432D

 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
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  5  9  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> (1,180)
1180

>  <Formula> (1,180)
C12H6Cl4O2S

>  <MolWeight> (1,180)
356.05184

>  <Item Name> (1,180)
Bithionol

>  <Catalog Number> (1,180)
S4552

>  <Synonyms> (1,180)
Actamer

>  <Target> (1,180)
cAMP

>  <Form> (1,180)
Free Base

>  <URL> (1,180)
http://www.selleckchem.com/products/bithionol.html

>  <CAS Number> (1,180)
97-18-7

$$$$
Resorcinol.cdx
csChFnd80/01151910432D

  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> (1,181)
1181

>  <Formula> (1,181)
C6H6O2

>  <MolWeight> (1,181)
110.11064

>  <Item Name> (1,181)
Resorcinol

>  <Catalog Number> (1,181)
S4579

>  <Synonyms> (1,181)
m-dihydroxybenzene, 3-hydroxyphenol

>  <Target> (1,181)
Antifection

>  <Form> (1,181)
Free Base

>  <URL> (1,181)
http://www.selleckchem.com/products/resorcinol.html

>  <CAS Number> (1,181)
108-46-3

$$$$
Aminoguanidine (hydrochloride).cdx
csChFnd80/01151910432D

  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> (1,182)
1182

>  <Formula> (1,182)
CH7ClN4

>  <MolWeight> (1,182)
110.54608

>  <Item Name> (1,182)
Aminoguanidine (hydrochloride)

>  <Catalog Number> (1,182)
S4548

>  <Synonyms> (1,182)
Pimagedine, Guanyl hydrazine, Hydrazinecarboximidamide, Imino semicarbazide, Monoaminoguanidine

>  <Target> (1,182)
Others

>  <Form> (1,182)
hydrochloride

>  <URL> (1,182)
http://www.selleckchem.com/products/aminoguanidine-hydrochloride.html

>  <CAS Number> (1,182)
1937-19-5

$$$$
Diethylcarbamazine (citrate).cdx
csChFnd80/01151910432D

 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> (1,183)
1183

>  <Formula> (1,183)
C16H29N3O8

>  <MolWeight> (1,183)
391.41676

>  <Item Name> (1,183)
Diethylcarbamazine (citrate)

>  <Catalog Number> (1,183)
S4564

>  <Synonyms> (1,183)
N/A

>  <Target> (1,183)
Antifection

>  <Form> (1,183)
Free Base

>  <URL> (1,183)
http://www.selleckchem.com/products/diethylcarbamazine-citrate.html

>  <CAS Number> (1,183)
1642-54-2

$$$$
Danthron.cdx
csChFnd80/01151910432D

 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> (1,184)
1184

>  <Formula> (1,184)
C14H8O4

>  <MolWeight> (1,184)
240.21092

>  <Item Name> (1,184)
Danthron

>  <Catalog Number> (1,184)
S4561

>  <Synonyms> (1,184)
chrysazin, Antrapurol

>  <Target> (1,184)
Others

>  <Form> (1,184)
Free Base

>  <URL> (1,184)
http://www.selleckchem.com/products/danthron.html

>  <CAS Number> (1,184)
117-10-2

$$$$
Trihexyphenidyl (hydrochloride).cdx
csChFnd80/01151910432D

 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
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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
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,185)
1185

>  <Formula> (1,185)
C20H32ClNO

>  <MolWeight> (1,185)
337.92718

>  <Item Name> (1,185)
Trihexyphenidyl hydrochloride

>  <Catalog Number> (1,185)
S4542

>  <Synonyms> (1,185)
Benzhexol hydrochloride, Artane hydrochloride

>  <Target> (1,185)
AChR

>  <Form> (1,185)
hydrochloride

>  <URL> (1,185)
http://www.selleckchem.com/products/trihexyphenidyl-hydrochloride.html

>  <CAS Number> (1,185)
52-49-3

$$$$
Trimetazidine (dihydrochloride).cdx
csChFnd80/01151910432D

 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
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    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
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    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> (1,186)
1186

>  <Formula> (1,186)
C14H24Cl2N2O3

>  <MolWeight> (1,186)
339.25796

>  <Item Name> (1,186)
Trimetazidine dihydrochloride

>  <Catalog Number> (1,186)
S4543

>  <Synonyms> (1,186)
Yoshimilon, Kyurinett, Vastarel F

>  <Target> (1,186)
Others

>  <Form> (1,186)
Dihydrochloride

>  <URL> (1,186)
http://www.selleckchem.com/products/trimetazidine-dihydrochloride.html

>  <CAS Number> (1,186)
13171-25-0

$$$$
Salicylic acid.cdx
csChFnd80/01151910432D

 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> (1,187)
1187

>  <Formula> (1,187)
C7H6O3

>  <MolWeight> (1,187)
138.12074

>  <Item Name> (1,187)
Salicylic acid

>  <Catalog Number> (1,187)
S4539

>  <Synonyms> (1,187)
2-Hydroxybenzoic acid

>  <Target> (1,187)
COX

>  <Form> (1,187)
Free Base

>  <URL> (1,187)
http://www.selleckchem.com/products/salicylic-acid.html

>  <CAS Number> (1,187)
69-72-7

$$$$
Methylene Blue.cdx
csChFnd80/01151910432D

 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> (1,188)
1188

>  <Formula> (1,188)
C16H18ClN3S

>  <MolWeight> (1,188)
319.85222

>  <Item Name> (1,188)
Methylene Blue

>  <Catalog Number> (1,188)
S4535

>  <Synonyms> (1,188)
Basic Blue 9, Tetramethylthionine chloride, methylthioninium chloride, CI-52015

>  <Target> (1,188)
Others

>  <Form> (1,188)
Free Base

>  <URL> (1,188)
http://www.selleckchem.com/products/methylene-blue.html

>  <CAS Number> (1,188)
61-73-4

$$$$
Idramantone.cdx
csChFnd80/01151910432D

 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> (1,189)
1189

>  <Formula> (1,189)
C10H14O2

>  <MolWeight> (1,189)
166.21696

>  <Item Name> (1,189)
Idramantone

>  <Catalog Number> (1,189)
S4529

>  <Synonyms> (1,189)
Kemantane, 5-Hydroxy-2-adamantanone

>  <Target> (1,189)
Immunology & Inflammation related

>  <Form> (1,189)
Free Base

>  <URL> (1,189)
http://www.selleckchem.com/products/idramantone.html

>  <CAS Number> (1,189)
20098-14-0

$$$$
Carsalam.cdx
csChFnd80/01151910432D

 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> (1,190)
1190

>  <Formula> (1,190)
C8H5NO3

>  <MolWeight> (1,190)
163.1302

>  <Item Name> (1,190)
Carsalam

>  <Catalog Number> (1,190)
S4555

>  <Synonyms> (1,190)
Carbonylsalicylamide

>  <Target> (1,190)
Antifection

>  <Form> (1,190)
Free Base

>  <URL> (1,190)
http://www.selleckchem.com/products/carsalam.html

>  <CAS Number> (1,190)
2037-95-8

$$$$
S4571 Hexylresorcinol.cdx
csChFnd80/01151910432D

 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
  4  8  1  0  0  0  0
  5  9  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
 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> (1,191)
1191

>  <Formula> (1,191)
C12H18O2

>  <MolWeight> (1,191)
194.27012

>  <Item Name> (1,191)
Hexylresorcinol

>  <Catalog Number> (1,191)
S4571

>  <Synonyms> (1,191)
4-Hexylresorcinol

>  <Target> (1,191)
Tyrosinase

>  <Form> (1,191)
Free Base

>  <URL> (1,191)
http://www.selleckchem.com/products/hexylresorcinol.html

>  <CAS Number> (1,191)
136-77-6

$$$$
S4569 Fluphenazine (dihydrochloride).cdx
csChFnd80/01151910432D

 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
  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  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> (1,192)
1192

>  <Formula> (1,192)
C22H28Cl2F3N3OS

>  <MolWeight> (1,192)
510.4434296

>  <Item Name> (1,192)
Fluphenazine (dihydrochloride)

>  <Catalog Number> (1,192)
S4569

>  <Synonyms> (1,192)
Prolixin

>  <Target> (1,192)
Dopamine Receptor

>  <Form> (1,192)
dihydrochloride

>  <URL> (1,192)
http://www.selleckchem.com/products/fluphenazine-dihydrochloride.html

>  <CAS Number> (1,192)
146-56-5

$$$$
S4566 DL-Panthenol.cdx
csChFnd80/01151910432D

 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
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    1.4000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,193)
1193

>  <Formula> (1,193)
C9H19NO4

>  <MolWeight> (1,193)
205.25146

>  <Item Name> (1,193)
DL-Panthenol

>  <Catalog Number> (1,193)
S4566

>  <Synonyms> (1,193)
DL-Pantothenol, DL-Pantothenyl alcohol

>  <Target> (1,193)
Others

>  <Form> (1,193)
Free Base

>  <URL> (1,193)
http://www.selleckchem.com/products/dl-panthenol.html

>  <CAS Number> (1,193)
16485-10-2

$$$$
S4565 Diiodohydroxyquinoline.cdx
csChFnd80/01151910432D

 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
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    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
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  1  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,194)
1194

>  <Formula> (1,194)
C9H5I2NO

>  <MolWeight> (1,194)
396.95104

>  <Item Name> (1,194)
Diiodohydroxyquinoline

>  <Catalog Number> (1,194)
S4565

>  <Synonyms> (1,194)
Iodoquinol

>  <Target> (1,194)
Antifection

>  <Form> (1,194)
Free Base

>  <URL> (1,194)
http://www.selleckchem.com/products/diiodohydroxyquinoline.html

>  <CAS Number> (1,194)
83-73-8

$$$$
S4559 Cloxiquine.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (1,195)
1195

>  <Formula> (1,195)
C9H6ClNO

>  <MolWeight> (1,195)
179.60304

>  <Item Name> (1,195)
Cloxiquine

>  <Catalog Number> (1,195)
S4559

>  <Synonyms> (1,195)
5-Chloro-8-quinolinol, Dermofungin|

>  <Target> (1,195)
Antifection

>  <Form> (1,195)
Free Base

>  <URL> (1,195)
http://www.selleckchem.com/products/cloxiquine.html

>  <CAS Number> (1,195)
130-16-5

$$$$
S4558 Citiolone.cdx
csChFnd80/01151910432D

 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
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    4.8196    4.3276    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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M  END
>  <Mol_ID> (1,196)
1196

>  <Formula> (1,196)
C6H9NO2S

>  <MolWeight> (1,196)
159.20616

>  <Item Name> (1,196)
Citiolone

>  <Catalog Number> (1,196)
S4558

>  <Synonyms> (1,196)
N/A

>  <Target> (1,196)
Others

>  <Form> (1,196)
Free Base

>  <URL> (1,196)
http://www.selleckchem.com/products/citiolone.html

>  <CAS Number> (1,196)
1195-16-0

$$$$
S4556 Carzenide.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (1,197)
1197

>  <Formula> (1,197)
C7H7NO4S

>  <MolWeight> (1,197)
201.19978

>  <Item Name> (1,197)
Carzenide

>  <Catalog Number> (1,197)
S4556

>  <Synonyms> (1,197)
4-Sulfamoylbenzoic acid

>  <Target> (1,197)
Others

>  <Form> (1,197)
Free Base

>  <URL> (1,197)
http://www.selleckchem.com/products/carzenide.html

>  <CAS Number> (1,197)
138-41-0

$$$$
S4553 Bronopol.cdx
csChFnd80/01151910432D

  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
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M  END
>  <Mol_ID> (1,198)
1198

>  <Formula> (1,198)
C3H6BrNO4

>  <MolWeight> (1,198)
199.98804

>  <Item Name> (1,198)
Bronopol

>  <Catalog Number> (1,198)
S4553

>  <Synonyms> (1,198)
N/A

>  <Target> (1,198)
Antifection

>  <Form> (1,198)
Free Base

>  <URL> (1,198)
http://www.selleckchem.com/products/bronopol.html

>  <CAS Number> (1,198)
52-51-7

$$$$
S4516 (+)-Camphor.cdx
csChFnd80/01151910432D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7041    1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7020    2.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    2.8686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3545    4.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421    4.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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M  END
>  <Mol_ID> (1,199)
1199

>  <Formula> (1,199)
C10H16O

>  <MolWeight> (1,199)
152.23344

>  <Item Name> (1,199)
(+)-Camphor

>  <Catalog Number> (1,199)
S4516

>  <Synonyms> (1,199)
N/A

>  <Target> (1,199)
TRPV

>  <Form> (1,199)
Free Base

>  <URL> (1,199)
http://www.selleckchem.com/products/camphor.html

>  <CAS Number> (1,199)
464-49-3

$$$$
S4594 Cephalothin.cdx
csChFnd80/01151910432D

 27 28  0  0  0  0  0  0  0  0999 V2000
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    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
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    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
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M  END
>  <Mol_ID> (1,200)
1200

>  <Formula> (1,200)
C16H15N2NaO6S2

>  <MolWeight> (1,200)
418.41987

>  <Item Name> (1,200)
Cephalothin

>  <Catalog Number> (1,200)
S4594

>  <Synonyms> (1,200)
Cefalotin

>  <Target> (1,200)
Antifection

>  <Form> (1,200)
Free Base

>  <URL> (1,200)
http://www.selleckchem.com/products/cephalothin.html

>  <CAS Number> (1,200)
58-71-9

$$$$
S4593 Chlormadinone acetate.cdx
csChFnd80/01151910432D

 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
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    6.0109    6.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 11  1  0  0  0  0
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  6  9  1  0  0  0  0
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 18 20  2  0  0  0  0
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 20 24  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 26  1  0  0  0  0
 25 27  1  0  0  0  0
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 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,201)
1201

>  <Formula> (1,201)
C23H29ClO4

>  <MolWeight> (1,201)
404.92696

>  <Item Name> (1,201)
Chlormadinone acetate

>  <Catalog Number> (1,201)
S4593

>  <Synonyms> (1,201)
Gestafortin

>  <Target> (1,201)
Estrogen/progestogen

>  <Form> (1,201)
Free Base

>  <URL> (1,201)
http://www.selleckchem.com/products/chlormadinone-acetate.html

>  <CAS Number> (1,201)
302-22-7

$$$$
Terpin (hydrate).cdx
csChFnd80/01151910432D

 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
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    1.9366    0.2390    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
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  6  0  0  0
M  END
>  <Mol_ID> (1,202)
1202

>  <Formula> (1,202)
C10H22O3

>  <MolWeight> (1,202)
190.27988

>  <Item Name> (1,202)
Terpin (hydrate)

>  <Catalog Number> (1,202)
S4577

>  <Synonyms> (1,202)
N/A

>  <Target> (1,202)
Others

>  <Form> (1,202)
hydrate

>  <URL> (1,202)
http://www.selleckchem.com/products/terpin-hydrate.html

>  <CAS Number> (1,202)
2451-01-6

$$$$
Xylitol.cdx
csChFnd80/01151910432D

 10  9  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    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    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
    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  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> (1,203)
1203

>  <Formula> (1,203)
C5H12O5

>  <MolWeight> (1,203)
152.14578

>  <Item Name> (1,203)
Xylitol

>  <Catalog Number> (1,203)
S4546

>  <Synonyms> (1,203)
Adonitol, Ribitol, Xylite, D-Xylitol, Adonite

>  <Target> (1,203)
Others

>  <Form> (1,203)
Free Base

>  <URL> (1,203)
http://www.selleckchem.com/products/xylitol.html

>  <CAS Number> (1,203)
87-99-0

$$$$
Urethane.cdx
csChFnd80/01151910432D

  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
    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
    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 O   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  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
M  END
>  <Mol_ID> (1,204)
1204

>  <Formula> (1,204)
C3H7NO2

>  <MolWeight> (1,204)
89.09318

>  <Item Name> (1,204)
Urethane

>  <Catalog Number> (1,204)
S4544

>  <Synonyms> (1,204)
Carbamic acid ethyl ester, Ethyl carbamate, Ethylurethane

>  <Target> (1,204)
Others

>  <Form> (1,204)
Free Base

>  <URL> (1,204)
http://www.selleckchem.com/products/urethane.html

>  <CAS Number> (1,204)
51-79-6

$$$$
S4597 Lercanidipine (hydrochloride).cdx
csChFnd80/01151910432D

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    3.6428    5.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2101    6.5669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2817    7.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2817    8.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,205)
1205

>  <Formula> (1,205)
C36H42ClN3O6

>  <MolWeight> (1,205)
648.18818

>  <Item Name> (1,205)
Lercanidipine (hydrochloride)

>  <Catalog Number> (1,205)
S4597

>  <Synonyms> (1,205)
Zanidip (hydrochloride), Masnidipine (hydrochloride)

>  <Target> (1,205)
Calcium Channel

>  <Form> (1,205)
hydrochloride

>  <URL> (1,205)
http://www.selleckchem.com/products/lercanidipine-hydrochloride.html

>  <CAS Number> (1,205)
132866-11-6

$$$$
S4596 Cefixime.cdx
csChFnd80/01151910432D

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.6620    2.8119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6698    4.2109    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8680    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2673    2.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8919    4.9017    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0893    2.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2773    1.8284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0985    4.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3017    2.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0775    0.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2992    7.1926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4777    6.3736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0908    4.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    7.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3130    5.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6918    4.2492    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0138    8.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  7 11  1  0  0  0  0
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 10 15  1  0  0  0  0
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 24 25  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,206)
1206

>  <Formula> (1,206)
C16H15N5O7S2

>  <MolWeight> (1,206)
453.4496

>  <Item Name> (1,206)
Cefixime

>  <Catalog Number> (1,206)
S4596

>  <Synonyms> (1,206)
Cefixima, Cefiximum, Cephoral, Cefspan, FR-17027, FK-027, CL-284635

>  <Target> (1,206)
Antifection

>  <Form> (1,206)
Free Base

>  <URL> (1,206)
http://www.selleckchem.com/products/cefixime.html

>  <CAS Number> (1,206)
79350-37-1

$$$$
S4595 Cefazolin (sodium).cdx
csChFnd80/01151910432D

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.6425    3.4483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6462    2.0326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4506    4.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0414    3.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0451    2.0362    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4579    1.3356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2170    3.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4469    5.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0372    4.4304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0460    1.0574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0363    4.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3643    1.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7169    0.8640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2103    2.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8284    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5878    2.1305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9585    6.2429    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  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
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 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 17 20  1  0  0  0  0
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 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  2  0  0  0  0
 25 29  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,207)
1207

>  <Formula> (1,207)
C14H13N8NaO4S3

>  <MolWeight> (1,207)
476.48899

>  <Item Name> (1,207)
Cefazolin Sodium

>  <Catalog Number> (1,207)
S4595

>  <Synonyms> (1,207)
cefazoline sodium, cephazolin sodium, Ancef

>  <Target> (1,207)
Antifection

>  <Form> (1,207)
Sodium Salt

>  <URL> (1,207)
http://www.selleckchem.com/products/cefazolin-sodium.html

>  <CAS Number> (1,207)
27164-46-1

$$$$
S4591 Nitroxoline.cdx
csChFnd80/01151910432D

 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
    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 N   0  3  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
    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  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  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
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,208)
1208

>  <Formula> (1,208)
C9H6N2O3

>  <MolWeight> (1,208)
190.15554

>  <Item Name> (1,208)
Nitroxoline

>  <Catalog Number> (1,208)
S4591

>  <Synonyms> (1,208)
8-Hydroxy-5-nitroquinoline, 5-nitroquinolin-8-ol, 5-Nitro-8-quinolinol|5-Nitro-8-hydroxyquinoline

>  <Target> (1,208)
Topoisomerase

>  <Form> (1,208)
Free Base

>  <URL> (1,208)
http://www.selleckchem.com/products/nitroxoline.html

>  <CAS Number> (1,208)
4008-48-4

$$$$
S4587 Dithranol.cdx
csChFnd80/01151910432D

 10 11  0  0  0  0  0  0  0  0999 V2000
    1.9269    3.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0422    2.3109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3675    4.4709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5805    2.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1891    3.1357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085    0.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7682    4.4709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0507    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6986    0.2634    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  1  0  0  0  0
  5  7  2  0  0  0  0
  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> (1,209)
1209

>  <Formula> (1,209)
C6H10N4

>  <MolWeight> (1,209)
138.1704

>  <Item Name> (1,209)
Pentylenetetrazol

>  <Catalog Number> (1,209)
S4587

>  <Synonyms> (1,209)
	Pentylenetetrazole, Metrazole, pentetrazol, pentamethylenetetrazol, Corazol, Cardiazol, PTZ

>  <Target> (1,209)
GABA Receptor

>  <Form> (1,209)
Free Base

>  <URL> (1,209)
http://www.selleckchem.com/products/pentylenetetrazol.html

>  <CAS Number> (1,209)
54-95-5

$$$$
S4585 Succinylsulfathiazole.cdx
csChFnd80/01151910432D

 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
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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
  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> (1,210)
1210

>  <Formula> (1,210)
C13H13N3O5S2

>  <MolWeight> (1,210)
355.38942

>  <Item Name> (1,210)
Succinylsulfathiazole

>  <Catalog Number> (1,210)
S4585

>  <Synonyms> (1,210)
Succinylsulphathiazole

>  <Target> (1,210)
Antifection

>  <Form> (1,210)
Free Base

>  <URL> (1,210)
http://www.selleckchem.com/products/succinylsulfathiazole.html

>  <CAS Number> (1,210)
116-43-8

$$$$
S4584 Butylparaben.cdx
csChFnd80/01151910432D

 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
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  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> (1,211)
1211

>  <Formula> (1,211)
C11H14O3

>  <MolWeight> (1,211)
194.22706

>  <Item Name> (1,211)
Butylparaben

>  <Catalog Number> (1,211)
S4584

>  <Synonyms> (1,211)
Butyl parahydroxybenzoate, Butyl paraben, Butyl 4-hydroxybenzoate

>  <Target> (1,211)
Antifection

>  <Form> (1,211)
Free Base

>  <URL> (1,211)
http://www.selleckchem.com/products/butylparaben.html

>  <CAS Number> (1,211)
94-26-8

$$$$
S4583 Butamben.cdx
csChFnd80/01151910432D

 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> (1,212)
1212

>  <Formula> (1,212)
C11H15NO2

>  <MolWeight> (1,212)
193.2423

>  <Item Name> (1,212)
Butamben

>  <Catalog Number> (1,212)
S4583

>  <Synonyms> (1,212)
Butyl 4-aminobenzoate

>  <Target> (1,212)
Others

>  <Form> (1,212)
Free Base

>  <URL> (1,212)
http://www.selleckchem.com/products/butamben.html

>  <CAS Number> (1,212)
94-25-7

$$$$
S4580 Hydroquinone.cdx
csChFnd80/01151910432D

  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> (1,213)
1213

>  <Formula> (1,213)
C6H6O2

>  <MolWeight> (1,213)
110.11064

>  <Item Name> (1,213)
Hydroquinone

>  <Catalog Number> (1,213)
S4580

>  <Synonyms> (1,213)
Quinol, 1,4-Benzenediol, 1,4-Dihydroxybenzene, HQ

>  <Target> (1,213)
ROS

>  <Form> (1,213)
Free Base

>  <URL> (1,213)
http://www.selleckchem.com/products/hydroquinone.html

>  <CAS Number> (1,213)
123-31-9

$$$$
S4576 Sulfabenzamide.cdx
csChFnd80/01151910432D

 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> (1,214)
1214

>  <Formula> (1,214)
C13H12N2O3S

>  <MolWeight> (1,214)
276.31098

>  <Item Name> (1,214)
Sulfabenzamide

>  <Catalog Number> (1,214)
S4576

>  <Synonyms> (1,214)
Sultrin, N-Sulfanilylbenzamide

>  <Target> (1,214)
Antifection

>  <Form> (1,214)
Free Base

>  <URL> (1,214)
http://www.selleckchem.com/products/sulfabenzamide.html

>  <CAS Number> (1,214)
127-71-9

$$$$
Cefuroxime sodium.cdx
csChFnd80/01151910432D

 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
    1.2157    6.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    8.1445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6607    8.8879    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6472    3.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  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 13  1  1  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  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
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  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
 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> (1,215)
1215

>  <Formula> (1,215)
C16H15N4NaO8S

>  <MolWeight> (1,215)
446.36707

>  <Item Name> (1,215)
Cefuroxime sodium

>  <Catalog Number> (1,215)
S4620

>  <Synonyms> (1,215)
N/A

>  <Target> (1,215)
Antifection

>  <Form> (1,215)
Sodium Salt

>  <URL> (1,215)
http://www.selleckchem.com/products/cefuroxime-sodium.html

>  <CAS Number> (1,215)
56238-63-2

$$$$
S4619 Itopride hydrochloride.cdx
csChFnd80/01151910432D

 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
    0.0674    2.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6939    2.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6939    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9236    2.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9236    0.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362    2.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3912    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6210    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8505    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0803    0.6991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2929    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0803    2.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5753    3.1559    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
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  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
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 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
 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
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,216)
1216

>  <Formula> (1,216)
C20H27ClN2O4

>  <MolWeight> (1,216)
394.89238

>  <Item Name> (1,216)
Itopride hydrochloride

>  <Catalog Number> (1,216)
S4619

>  <Synonyms> (1,216)
Ganaton, HSR803

>  <Target> (1,216)
AChR

>  <Form> (1,216)
hydrochloride

>  <URL> (1,216)
http://www.selleckchem.com/products/itopride-hydrochloride.html

>  <CAS Number> (1,216)
122892-31-3

$$$$
S4574 Piperazine.cdx
csChFnd80/01151910432D

  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
    1.2124    0.0000    0.0000 N   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
    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> (1,217)
1217

>  <Formula> (1,217)
C4H10N2

>  <MolWeight> (1,217)
86.1356

>  <Item Name> (1,217)
Piperazine

>  <Catalog Number> (1,217)
S4574

>  <Synonyms> (1,217)
1,4-Diazacyclohexane, Diethylenediamine, exahydropyrazine, Piperazidine

>  <Target> (1,217)
GABA Receptor

>  <Form> (1,217)
Free Base

>  <URL> (1,217)
http://www.selleckchem.com/products/piperazine.html

>  <CAS Number> (1,217)
110-85-0

$$$$
S4589 Amodiaquin (dihydrochloride dihydrate).cdx
csChFnd80/01151910432D

 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
   15.8273    6.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2522    4.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0427    6.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2522    2.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
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  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
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  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
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,218)
1218

>  <Formula> (1,218)
C20H28Cl3N3O3

>  <MolWeight> (1,218)
464.81362

>  <Item Name> (1,218)
Amodiaquin (dihydrochloride dihydrate)

>  <Catalog Number> (1,218)
S4589

>  <Synonyms> (1,218)
N/A

>  <Target> (1,218)
Transferase,Histone

>  <Form> (1,218)
dihydrochloride dihydrate

>  <URL> (1,218)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

>  <CAS Number> (1,218)
6398-98-7

$$$$
S4625 Alcaftadine.cdx
csChFnd80/01151910432D

 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
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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
 10 18  1  0  0  0  0
 21 11  1  0  0  0  0
 12 11  1  0  0  0  0
 16 13  2  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> (1,219)
1219

>  <Formula> (1,219)
C19H21N3O

>  <MolWeight> (1,219)
307.38954

>  <Item Name> (1,219)
Alcaftadine

>  <Catalog Number> (1,219)
S4625

>  <Synonyms> (1,219)
Lastacaft, R89674, R 89674, R-89674

>  <Target> (1,219)
Histamine Receptor

>  <Form> (1,219)
Free Base

>  <URL> (1,219)
http://www.selleckchem.com/products/alcaftadine.html

>  <CAS Number> (1,219)
147084-10-4

$$$$
S4632 Hexachlorophene.cdx
csChFnd80/01151910432D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    4.6534    2.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6676    5.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1583    3.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.1229    1.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0377    5.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5459    7.3408    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5775    3.6000    0.0000 Cl  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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  4  7  1  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  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 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> (1,220)
1220

>  <Formula> (1,220)
C13H6Cl6O2

>  <MolWeight> (1,220)
406.90354

>  <Item Name> (1,220)
Hexachlorophene

>  <Catalog Number> (1,220)
S4632

>  <Synonyms> (1,220)
Hexachlorofen, Fostril, Nabac, pHisoHex

>  <Target> (1,220)
Potassium Channel

>  <Form> (1,220)
Free Base

>  <URL> (1,220)
http://www.selleckchem.com/products/hexachlorophene.html

>  <CAS Number> (1,220)
70-30-4

$$$$
S4630 Diazoxide.cdx
csChFnd80/01151910432D

 14 15  0  0  0  0  0  0  0  0999 V2000
    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
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    2.4358    4.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    7.3039    4.0923    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  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> (1,221)
1221

>  <Formula> (1,221)
C8H7ClN2O2S

>  <MolWeight> (1,221)
230.67138

>  <Item Name> (1,221)
Diazoxide

>  <Catalog Number> (1,221)
S4630

>  <Synonyms> (1,221)
Sch-6783, SRG-95213, Proglycem

>  <Target> (1,221)
Potassium Channel

>  <Form> (1,221)
Free Base

>  <URL> (1,221)
http://www.selleckchem.com/products/diazoxide.html

>  <CAS Number> (1,221)
364-98-7

$$$$
S4629 Chlorotrianisene.cdx
csChFnd80/01151910432D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    8.4003    2.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0957    1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,222)
1222

>  <Formula> (1,222)
C23H21ClO3

>  <MolWeight> (1,222)
380.86404

>  <Item Name> (1,222)
Chlorotrianisene

>  <Catalog Number> (1,222)
S4629

>  <Synonyms> (1,222)
tri-p-anisylchloroethylene, tris(p-methoxyphenyl)chloroethylene, TACE, CTA

>  <Target> (1,222)
Estrogen/progestogen Receptor

>  <Form> (1,222)
Free Base

>  <URL> (1,222)
http://www.selleckchem.com/products/chlorotrianisene.html

>  <CAS Number> (1,222)
569-57-3

$$$$
S4628 (+-)-Sulfinpyrazone.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (1,223)
1223

>  <Formula> (1,223)
C23H20N2O3S

>  <MolWeight> (1,223)
404.4815

>  <Item Name> (1,223)
(+/-)-Sulfinpyrazone

>  <Catalog Number> (1,223)
S4628

>  <Synonyms> (1,223)
G-28315, NSC 75925

>  <Target> (1,223)
COX

>  <Form> (1,223)
Free Base

>  <URL> (1,223)
http://www.selleckchem.com/products/sulfinpyrazone.html

>  <CAS Number> (1,223)
57-96-5

$$$$
S4626 ETHOSUXIMIDE.cdx
csChFnd80/01151910432D

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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
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  6  8  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,224)
1224

>  <Formula> (1,224)
C7H11NO2

>  <MolWeight> (1,224)
141.16774

>  <Item Name> (1,224)
Ethosuximide

>  <Catalog Number> (1,224)
S4626

>  <Synonyms> (1,224)
N/A

>  <Target> (1,224)
Calcium Channel

>  <Form> (1,224)
Free Base

>  <URL> (1,224)
http://www.selleckchem.com/products/ethosuximide.html

>  <CAS Number> (1,224)
77-67-8

$$$$
S4618 Fenoldopam (mesylate).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,225)
1225

>  <Formula> (1,225)
C17H20ClNO6S

>  <MolWeight> (1,225)
401.8618

>  <Item Name> (1,225)
Fenoldopam (mesylate)

>  <Catalog Number> (1,225)
S4618

>  <Synonyms> (1,225)
SKF 82526 (mesylate), Fenoldopam methanesulfonate, Corlopam mesylate

>  <Target> (1,225)
Dopamine Receptor

>  <Form> (1,225)
mesylate

>  <URL> (1,225)
http://www.selleckchem.com/products/fenoldopam-mesylate.html

>  <CAS Number> (1,225)
67227-57-0

$$$$
S4617 Dextromethorphan hydrobromide hydrate.cdx
csChFnd80/01151910432D

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    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
    3.5000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 22  1  6  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,226)
1226

>  <Formula> (1,226)
C18H28BrNO2

>  <MolWeight> (1,226)
370.32442

>  <Item Name> (1,226)
Dextromethorphan (hydrobromide hydrate)

>  <Catalog Number> (1,226)
S4617

>  <Synonyms> (1,226)
Dextromethorphan hydrobromide monohydrate

>  <Target> (1,226)
AChR

>  <Form> (1,226)
hydrobromide

>  <URL> (1,226)
http://www.selleckchem.com/products/dextromethorphan-hydrobromide-hydrate.html

>  <CAS Number> (1,226)
6700-34-1

$$$$
S4639 Brexpiprazole.cdx
csChFnd80/01151910432D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,227)
1227

>  <Formula> (1,227)
C25H27N3O2S

>  <MolWeight> (1,227)
433.56578

>  <Item Name> (1,227)
Brexpiprazole

>  <Catalog Number> (1,227)
S4639

>  <Synonyms> (1,227)
OPC-34712, OPC 34712, OPC34712

>  <Target> (1,227)
Dopamine Receptor

>  <Form> (1,227)
Free Base

>  <URL> (1,227)
http://www.selleckchem.com/products/brexpiprazole.html

>  <CAS Number> (1,227)
913611-97-9

$$$$
S4640 Lesinurad.cdx
csChFnd80/01151910432D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  9 11  1  0  0  0  0
 10 24  1  0  0  0  0
  5  8  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,228)
1228

>  <Formula> (1,228)
C17H14BrN3O2S

>  <MolWeight> (1,228)
404.28096

>  <Item Name> (1,228)
Lesinurad

>  <Catalog Number> (1,228)
S4640

>  <Synonyms> (1,228)
RDEA 594, RDEA-594, RDEA594

>  <Target> (1,228)
Others

>  <Form> (1,228)
Free Base

>  <URL> (1,228)
http://www.selleckchem.com/products/lesinurad.html

>  <CAS Number> (1,228)
878672-00-5

$$$$
S4635 Cyproheptadine hydrochloride.cdx
csChFnd80/01151910432D

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 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
A   23
?1.5H2O?
M  END
>  <Mol_ID> (1,229)
1229

>  <Formula> (1,229)
C21H22ClNR

>  <MolWeight> (1,229)
323.85908

>  <Item Name> (1,229)
Cyproheptadine hydrochloride

>  <Catalog Number> (1,229)
S4635

>  <Synonyms> (1,229)
Periactin hydrochloride, Peritol

>  <Target> (1,229)
5-HT Receptor

>  <Form> (1,229)
Hydrochloride Sesquihydrate

>  <URL> (1,229)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride.html

>  <CAS Number> (1,229)
41354-29-4

$$$$
S4612 Dapson.cdx
csChFnd80/01151910432D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    4.1930    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4990    2.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6867    2.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6949    0.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929    0.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945    2.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0772    2.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4001    1.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7861    1.4836    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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 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,230)
1230

>  <Formula> (1,230)
C12H12N2O2S

>  <MolWeight> (1,230)
248.30088

>  <Item Name> (1,230)
Dapson

>  <Catalog Number> (1,230)
S4612

>  <Synonyms> (1,230)
Dapsone, 4,4¡ä-Diaminodiphenyl sulfone, 4,4¡ä-Sulfonyldianiline, 4-Aminophenyl sulfone, Bis sulfone, 

>  <Target> (1,230)
Antifection

>  <Form> (1,230)
Free Base

>  <URL> (1,230)
http://www.selleckchem.com/products/dapson.html

>  <CAS Number> (1,230)
80-08-0

$$$$
S4610 Mebendazole.cdx
csChFnd80/01151910432D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2453    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    0.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5933    2.5145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5754    0.2465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0401    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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 10 13  2  0  0  0  0
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 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> (1,231)
1231

>  <Formula> (1,231)
C16H13N3O3

>  <MolWeight> (1,231)
295.29272

>  <Item Name> (1,231)
Mebendazole

>  <Catalog Number> (1,231)
S4610

>  <Synonyms> (1,231)
Vermox, Telmin, Pantelmin, Mebenvet

>  <Target> (1,231)
Antifection

>  <Form> (1,231)
Free Base

>  <URL> (1,231)
http://www.selleckchem.com/products/mebendazole.html

>  <CAS Number> (1,231)
31431-39-7

$$$$
S4604 Levofloxacin hydrate.cdx
csChFnd80/01151910432D

 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
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    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
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A   27
0.5H2O
M  END
>  <Mol_ID> (1,232)
1232

>  <Formula> (1,232)
C18H20FN3O4R

>  <MolWeight> (1,232)
361.3675032

>  <Item Name> (1,232)
Levofloxacin hydrate

>  <Catalog Number> (1,232)
S4604

>  <Synonyms> (1,232)
Levofloxacin hemihydrate, Levaquin hydrate, Tavanic hydrate, Quixin hydrate, Iquix hydrate, 

>  <Target> (1,232)
Topoisomerase

>  <Form> (1,232)
hydrate

>  <URL> (1,232)
http://www.selleckchem.com/products/levofloxacin-hydrate.html

>  <CAS Number> (1,232)
138199-71-0

$$$$
S4603 Gallic acid.cdx
csChFnd80/01151910432D

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    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
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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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    6.0622    3.5000    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
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  5 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,233)
1233

>  <Formula> (1,233)
C7H6O5

>  <MolWeight> (1,233)
170.11954

>  <Item Name> (1,233)
Gallic acid

>  <Catalog Number> (1,233)
S4603

>  <Synonyms> (1,233)
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid

>  <Target> (1,233)
ROS

>  <Form> (1,233)
Free Base

>  <URL> (1,233)
http://www.selleckchem.com/products/gallic-acid.html

>  <CAS Number> (1,233)
149-91-7

$$$$
S4609 Diflunisal.cdx
csChFnd80/01151910432D

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22494-42-4

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csChFnd80/01151910432D

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

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54024-22-5

$$$$
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csChFnd80/01151910432D

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

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198470-84-7

$$$$
S4652 Sulisobenzone.cdx
csChFnd80/01151910432D

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Sulisobenzone

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4065-45-6

$$$$
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csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,238)
1238

>  <Formula> (1,238)
C32H35ClN18O10S6

>  <MolWeight> (1,238)
1059.5779

>  <Item Name> (1,238)
Cefmenoxime hydrochloride

>  <Catalog Number> (1,238)
S4647

>  <Synonyms> (1,238)
Cefmenoxime hemihydrochloride, SCE-1365 hemihydrochloride

>  <Target> (1,238)
Antifection

>  <Form> (1,238)
hydrochloride

>  <URL> (1,238)
http://www.selleckchem.com/products/cefmenoxime-hydrochloride.html

>  <CAS Number> (1,238)
75738-58-8

$$$$
S4588 Docusate (Sodium).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,239)
1239

>  <Formula> (1,239)
C20H37NaO7S

>  <MolWeight> (1,239)
444.55835

>  <Item Name> (1,239)
Docusate Sodium

>  <Catalog Number> (1,239)
S4588

>  <Synonyms> (1,239)
Aerosol OT, Bis(2-ethylhexyl) sulfosuccinate sodium salt, Constonate

>  <Target> (1,239)
Opioid Receptor

>  <Form> (1,239)
sodium salt

>  <URL> (1,239)
http://www.selleckchem.com/products/docusate-sodium.html

>  <CAS Number> (1,239)
577-11-7

$$$$
S4657 Eslicarbazepine Acetate.cdx
csChFnd80/01151910432D

 22 24  0  0  0  0  0  0  0  0999 V2000
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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> (1,240)
1240

>  <Formula> (1,240)
C17H16N2O3

>  <MolWeight> (1,240)
296.32054

>  <Item Name> (1,240)
Eslicarbazepine Acetate

>  <Catalog Number> (1,240)
S4657

>  <Synonyms> (1,240)
BIA 2093, Zebinix, Exalief, Stedesa, Aptiom

>  <Target> (1,240)
Others

>  <Form> (1,240)
Free Base

>  <URL> (1,240)
http://www.selleckchem.com/products/eslicarbazepine-acetate.html

>  <CAS Number> (1,240)
236395-14-5

$$$$
S4649 Atipamezole hydrochloride.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (1,241)
1241

>  <Formula> (1,241)
C14H17ClN2

>  <MolWeight> (1,241)
248.75118

>  <Item Name> (1,241)
Atipamezole hydrochloride

>  <Catalog Number> (1,241)
S4649

>  <Synonyms> (1,241)
Antisedan, MPV-1248 hydrochloride, MPV1248 hydrochloride, MPV 1248 hydrochloride

>  <Target> (1,241)
Adrenergic Receptor

>  <Form> (1,241)
hydrochloride

>  <URL> (1,241)
http://www.selleckchem.com/products/atipamezole-hydrochloride.html

>  <CAS Number> (1,241)
104075-48-1

$$$$
S4624 Methylbenactyzine Bromide.cdx
csChFnd80/01151910432D

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    3.6373    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,242)
1242

>  <Formula> (1,242)
C21H28BrNO3

>  <MolWeight> (1,242)
422.35592

>  <Item Name> (1,242)
Methylbenactyzine Bromide

>  <Catalog Number> (1,242)
S4623

>  <Synonyms> (1,242)
Gastrimade, Noinarin, Paragone, Semulgin

>  <Target> (1,242)
AChR

>  <Form> (1,242)
bromide 

>  <URL> (1,242)
http://selleckchem.com/products/methylbenactyzine-bromide.html

>  <CAS Number> (1,242)
3166-62-9

$$$$
S4641 Tedizolid Phosphate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,243)
1243

>  <Formula> (1,243)
C17H16FN6O6P

>  <MolWeight> (1,243)
450.3177042

>  <Item Name> (1,243)
Tedizolid Phosphate

>  <Catalog Number> (1,243)
S4641

>  <Synonyms> (1,243)
TR-701FA

>  <Target> (1,243)
Antifection

>  <Form> (1,243)
Free Base

>  <URL> (1,243)
http://www.selleckchem.com/products/tedizolid-phosphate.html

>  <CAS Number> (1,243)
856867-55-5

$$$$
S4634 SULFADIAZINE SODIUM.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,244)
1244

>  <Formula> (1,244)
C10H9N4NaO2S

>  <MolWeight> (1,244)
272.25883

>  <Item Name> (1,244)
Sodium sulfadiazine

>  <Catalog Number> (1,244)
S4634

>  <Synonyms> (1,244)
Sulfadiazin-natrium

>  <Target> (1,244)
Antifection

>  <Form> (1,244)
Sodium salt

>  <URL> (1,244)
http://www.selleckchem.com/products/sodium-sulfadiazine.html

>  <CAS Number> (1,244)
547-32-0

$$$$
S4602 Acetohydroxamic acid.cdx
csChFnd80/01151910432D

  5  4  0  0  0  0  0  0  0  0999 V2000
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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,245)
1245

>  <Formula> (1,245)
C2H5NO2

>  <MolWeight> (1,245)
75.0666

>  <Item Name> (1,245)
Acetohydroxamic acid

>  <Catalog Number> (1,245)
S4602

>  <Synonyms> (1,245)
N-Hydroxyacetamide, Methylhydroxamic acid, Acetic acid|oxime, Lithostat

>  <Target> (1,245)
Antifection

>  <Form> (1,245)
Free Base

>  <URL> (1,245)
http://www.selleckchem.com/products/acetohydroxamic-acid.html

>  <CAS Number> (1,245)
546-88-3

$$$$
Triclosan.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,246)
1246

>  <Formula> (1,246)
C12H7Cl3O2

>  <MolWeight> (1,246)
289.54178

>  <Item Name> (1,246)
Triclosan

>  <Catalog Number> (1,246)
S4541

>  <Synonyms> (1,246)
Irgasan, Cloxifenolum

>  <Target> (1,246)
Antifection

>  <Form> (1,246)
Free Base

>  <URL> (1,246)
http://www.selleckchem.com/products/triclosan.html

>  <CAS Number> (1,246)
3380-34-5

$$$$
S4562 Dehydrocholic acid.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,247)
1247

>  <Formula> (1,247)
C24H34O5

>  <MolWeight> (1,247)
402.52376

>  <Item Name> (1,247)
Dehydrocholic acid

>  <Catalog Number> (1,247)
S4562

>  <Synonyms> (1,247)
Decholin, Dehystolin, Felacrinos, Sanocholen

>  <Target> (1,247)
Others

>  <Form> (1,247)
Free Base

>  <URL> (1,247)
http://www.selleckchem.com/products/dehydrocholic-acid.html

>  <CAS Number> (1,247)
81-23-2

$$$$
S4550 Azelaic acid.cdx
csChFnd80/01151910432D

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    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
    7.2746    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
    9.6995    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
   12.1244    0.0000    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
  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
  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
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,248)
1248

>  <Formula> (1,248)
C9H16O4

>  <MolWeight> (1,248)
188.22094

>  <Item Name> (1,248)
Azelaic acid

>  <Catalog Number> (1,248)
S4550

>  <Synonyms> (1,248)
Nonanedioic acid, Finacea, Azelex, Anchoic acid

>  <Target> (1,248)
Antifection

>  <Form> (1,248)
Free Base

>  <URL> (1,248)
http://www.selleckchem.com/products/azelaic-acid.html

>  <CAS Number> (1,248)
123-99-9

$$$$
S4607 2,2¡ä-Dihydroxy-4-methoxybenzophenone.cdx
csChFnd80/01151910432D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8532    3.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413    4.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4283    3.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413    5.5827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2824    3.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    5.5916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0656    1.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4283    2.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    4.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2824    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    1.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397    1.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018    3.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4963    1.3982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4963    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
  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
  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  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> (1,249)
1249

>  <Formula> (1,249)
C14H12O4

>  <MolWeight> (1,249)
244.24268

>  <Item Name> (1,249)
2,2¡ä-Dihydroxy-4-methoxybenzophenone

>  <Catalog Number> (1,249)
S4607

>  <Synonyms> (1,249)
Dioxybenzone, Dioxybenzon, Advastab 47, Cyasorb UV 24, Benzophenone-8

>  <Target> (1,249)
Others

>  <Form> (1,249)
Free Base

>  <URL> (1,249)
http://www.selleckchem.com/products/2-2-dihydroxy-4-methoxybenzophenone.html

>  <CAS Number> (1,249)
131-53-3

$$$$
S4679 Terazosin.cdx
csChFnd80/01151910432D

 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
    4.8513    1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    4.2035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2712    4.2035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2549    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
    7.2712    5.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4928    3.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4928    6.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7027    4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9125    6.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1339    5.6312    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9125    7.7587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1339    4.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4645    3.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2730    4.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6589    0.7931    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  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 11  1  0  0  0  0
  8 10  1  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
 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
 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
 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> (1,250)
1250

>  <Formula> (1,250)
C19H26ClN5O4

>  <MolWeight> (1,250)
423.89384

>  <Item Name> (1,250)
Terazosin HCl 

>  <Catalog Number> (1,250)
S4679

>  <Synonyms> (1,250)
Terazosin, Hytrin, Zayasel, Terazosine, Flumarc, Fosfomic, Blavin

>  <Target> (1,250)
Adrenergic Receptor

>  <Form> (1,250)
hydrochloride

>  <URL> (1,250)
http://www.selleckchem.com/products/terazosin.html

>  <CAS Number> (1,250)
63074-08-8

$$$$
S4674 Hydroxyprogesterone caproate.cdx
csChFnd80/01151910432D

 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
    8.7689    6.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3847    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    7.6289    6.7460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1381    2.0733    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9169    4.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4872    4.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0009    6.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1381    0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8465    3.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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    2.4740    2.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2338    0.6952    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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  1  5  1  1  0  0  0
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  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  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  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
 10 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 33  1  1  0  0  0
 14 17  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 34  1  6  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  1  0  0  0
 21 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,251)
1251

>  <Formula> (1,251)
C27H40O4

>  <MolWeight> (1,251)
428.6041

>  <Item Name> (1,251)
Hydroxyprogesterone caproate

>  <Catalog Number> (1,251)
S4674

>  <Synonyms> (1,251)
17¦Á-Hydroxyprogesterone hexanoate, 17¦Á-Hydroxyprogesterone caproate

>  <Target> (1,251)
Estrogen/progestogen Receptor

>  <Form> (1,251)
Free Base

>  <URL> (1,251)
http://www.selleckchem.com/products/hydroxyprogesterone-caproate.html

>  <CAS Number> (1,251)
630-56-8

$$$$
S4683 Sildenafil Mesylate.cdx
csChFnd80/01151910432D

 38 40  0  0  0  0  0  0  0  0999 V2000
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    7.2746    4.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,252)
1252

>  <Formula> (1,252)
C23H34N6O7S2

>  <MolWeight> (1,252)
570.68206

>  <Item Name> (1,252)
Sildenafil Mesylate

>  <Catalog Number> (1,252)
S4683

>  <Synonyms> (1,252)
N/A

>  <Target> (1,252)
PDE

>  <Form> (1,252)
Mesylate

>  <URL> (1,252)
http://www.selleckchem.com/products/sildenafil-mesylate.html

>  <CAS Number> (1,252)
1308285-21-3

$$$$
S4693 Guanfacine Hydrochloride.cdx
csChFnd80/01151910432D

 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
    3.6357    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    0.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6357    0.0019    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    4.2055    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    2.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    0.7034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2731    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2731    0.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1430    0.5369    0.0000 Cl  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
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 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,253)
1253

>  <Formula> (1,253)
C9H10Cl3N3O

>  <MolWeight> (1,253)
282.5542

>  <Item Name> (1,253)
Guanfacine Hydrochloride

>  <Catalog Number> (1,253)
S4693

>  <Synonyms> (1,253)
Guanfacine Hydrochloride, Guanfacine, Tenex, Intuniv

>  <Target> (1,253)
5-HT Receptor

>  <Form> (1,253)
hydrochloride

>  <URL> (1,253)
http://www.selleckchem.com/products/guanfacine-hydrochloride.html

>  <CAS Number> (1,253)
29110-48-3

$$$$
S4691 Oxybenzone.cdx
csChFnd80/01151910432D

 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
  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  2  0  0  0  0
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M  END
>  <Mol_ID> (1,254)
1254

>  <Formula> (1,254)
C14H12O3

>  <MolWeight> (1,254)
228.24328

>  <Item Name> (1,254)
Oxybenzone

>  <Catalog Number> (1,254)
S4691

>  <Synonyms> (1,254)
Oxybenzone, Eusolex 4360, Escalol 567, KAHSCREEN BZ-3, Benzophenone 3

>  <Target> (1,254)
Others

>  <Form> (1,254)
Free Base

>  <URL> (1,254)
http://www.selleckchem.com/products/oxybenzone.html

>  <CAS Number> (1,254)
131-57-7

$$$$
S4666 Sivelestat sodium.cdx
csChFnd80/01151910432D

 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
   20.1799    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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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    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
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 18 22  2  0  0  0  0
 21 23  2  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> (1,255)
1255

>  <Formula> (1,255)
C20H29N2NaO11S

>  <MolWeight> (1,255)
528.50583

>  <Item Name> (1,255)
Sivelestat sodium tetrahydrate

>  <Catalog Number> (1,255)
S4666

>  <Synonyms> (1,255)
Sivelestat sodium, ONO5046-Na, Sodium sivelestat, EI546 sodium, LY544349 sodium

>  <Target> (1,255)
Serine Protease

>  <Form> (1,255)
Sodium salt tetrahydrate

>  <URL> (1,255)
http://www.selleckchem.com/products/sivelestat-sodium.html

>  <CAS Number> (1,255)
201677-61-4

$$$$
S4664 Molsidomine.cdx
csChFnd80/01151910432D

 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
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 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> (1,256)
1256

>  <Formula> (1,256)
C9H14N4O4

>  <MolWeight> (1,256)
242.23186

>  <Item Name> (1,256)
Molsidomine

>  <Catalog Number> (1,256)
S4664

>  <Synonyms> (1,256)
SIN-10, Corvaton, Morsydomine

>  <Target> (1,256)
Others

>  <Form> (1,256)
inner salt

>  <URL> (1,256)
http://www.selleckchem.com/products/molsidomine.html

>  <CAS Number> (1,256)
25717-80-0

$$$$
S4660 Glycopyrrolate.cdx
csChFnd80/01151910432D

 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
    2.6504    1.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    0.0000    0.7620    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  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
 14 17  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
 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> (1,257)
1257

>  <Formula> (1,257)
C19H28BrNO3

>  <MolWeight> (1,257)
398.33452

>  <Item Name> (1,257)
Glycopyrrolate

>  <Catalog Number> (1,257)
S4660

>  <Synonyms> (1,257)
Glycopyrrolate bromide, Glycopyrronium bromide, Robinul, Gastrodyn

>  <Target> (1,257)
AChR

>  <Form> (1,257)
bromide

>  <URL> (1,257)
http://www.selleckchem.com/products/glycopyrrolate.html

>  <CAS Number> (1,257)
596-51-0

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/01151910432D

 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
    6.0616    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0616    4.1954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2626    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7090    7.5476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7834   10.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0398    3.7233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  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
  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
 20 22  1  0  0  0  0
 20 24  1  6  0  0  0
 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> (1,258)
1258

>  <Formula> (1,258)
C20H26N2O2

>  <MolWeight> (1,258)
326.43264

>  <Item Name> (1,258)
Hydroquinidine

>  <Catalog Number> (1,258)
S4658

>  <Synonyms> (1,258)
Dihydroquinidine, Hydroconchinine, Hydroconquinine, Dihydroquinine

>  <Target> (1,258)
Others

>  <Form> (1,258)
Free Base

>  <URL> (1,258)
http://www.selleckchem.com/products/hydroquinidine.html

>  <CAS Number> (1,258)
1435-55-8

$$$$
S4655 Sulpiride.cdx
csChFnd80/01151910432D

 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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    3.6373    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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 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
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,259)
1259

>  <Formula> (1,259)
C15H23N3O4S

>  <MolWeight> (1,259)
341.42582

>  <Item Name> (1,259)
Sulpiride

>  <Catalog Number> (1,259)
S4655

>  <Synonyms> (1,259)
Dolmatil, Dobren, Sulpyrid, Aiglonyl, Dogmatil

>  <Target> (1,259)
Dopamine Receptor

>  <Form> (1,259)
Free Base

>  <URL> (1,259)
http://www.selleckchem.com/products/sulpiride.html

>  <CAS Number> (1,259)
15676-16-1

$$$$
S4651 Etoricoxib.cdx
csChFnd80/01151910432D

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    8.4871    7.0000    0.0000 S   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
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 10  1  2  0  0  0  0
 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> (1,260)
1260

>  <Formula> (1,260)
C18H15ClN2O2S

>  <MolWeight> (1,260)
358.8419

>  <Item Name> (1,260)
Etoricoxib

>  <Catalog Number> (1,260)
S4651

>  <Synonyms> (1,260)
Arcoxia, MK-663, MK-0663, Tauxib, Algix, Nucoxia

>  <Target> (1,260)
COX

>  <Form> (1,260)
Free  Base

>  <URL> (1,260)
http://www.selleckchem.com/products/etoricoxib.html

>  <CAS Number> (1,260)
202409-33-4

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/01151910432D

 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
    6.0616    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0616    4.1954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2626    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    2.0939    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
  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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  5 10  1  0  0  0  0
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  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
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 20 21  1  0  0  0  0
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 20 24  1  6  0  0  0
 21 23  1  1  0  0  0
 23 25  1  0  0  0  0
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M  END
>  <Mol_ID> (1,261)
1261

>  <Formula> (1,261)
C20H26N2O2

>  <MolWeight> (1,261)
326.43264

>  <Item Name> (1,261)
Dantrolene sodium hemiheptahydrate

>  <Catalog Number> (1,261)
S4648

>  <Synonyms> (1,261)
Dantrolene sodium salt, Dantrium, Sodium dantrolene

>  <Target> (1,261)
Calcium Channel

>  <Form> (1,261)
Sodium salt hemiheptahydrate

>  <URL> (1,261)
http://www.selleckchem.com/products/dantrolene-sodium.html

>  <CAS Number> (1,261)
24868-20-0

$$$$
S4646 Ciclesonide.cdx
csChFnd80/01151910432D

 43 48  0  0  0  0  0  0  0  0999 V2000
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C32H44O7

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>  <Item Name> (1,262)
Ciclesonide

>  <Catalog Number> (1,262)
S4646

>  <Synonyms> (1,262)
Ciclesonide, Alvesco, Omnaris, RPR251526, Zetonna

>  <Target> (1,262)
Others

>  <Form> (1,262)
Free Base

>  <URL> (1,262)
http://www.selleckchem.com/products/ciclesonide.html

>  <CAS Number> (1,262)
126544-47-6

$$$$
S4637 Prasugrel Hydrochloride.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,263)
1263

>  <Formula> (1,263)
C20H21ClFNO3S

>  <MolWeight> (1,263)
409.9020432

>  <Item Name> (1,263)
Prasugrel Hydrochloride

>  <Catalog Number> (1,263)
S4637

>  <Synonyms> (1,263)
Prasugrel HCl, LY 640315

>  <Target> (1,263)
P2 Receptor

>  <Form> (1,263)
hydrochloride

>  <URL> (1,263)
http://www.selleckchem.com/products/prasugrel-hydrochloride.html

>  <CAS Number> (1,263)
389574-19-0

$$$$
s4515 Ademetionine Ademetionine disulfate tosylate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,264)
1264

>  <Formula> (1,264)
C22H34N6O16S4

>  <MolWeight> (1,264)
766.79596

>  <Item Name> (1,264)
Ademetionine disulfate tosylate 

>  <Catalog Number> (1,264)
S4515

>  <Synonyms> (1,264)
N/A

>  <Target> (1,264)
Others

>  <Form> (1,264)
Disulfate tosylate

>  <URL> (1,264)
http://www.selleckchem.com/products/ademetionine-disulfate-tosylate.html

>  <CAS Number> (1,264)
97540-22-2

$$$$
S4682 Loxoprofen.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,265)
1265

>  <Formula> (1,265)
C15H18O3

>  <MolWeight> (1,265)
246.30162

>  <Item Name> (1,265)
Loxoprofen

>  <Catalog Number> (1,265)
S4682

>  <Synonyms> (1,265)
Koloxo, Loxoprofene, Loxoprofeno

>  <Target> (1,265)
COX

>  <Form> (1,265)
Free Base

>  <URL> (1,265)
http://www.selleckchem.com/products/loxoprofen.html

>  <CAS Number> (1,265)
68767-14-6

$$$$
S4680 Protirelin.cdx
csChFnd80/01151910432D

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    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> (1,266)
1266

>  <Formula> (1,266)
C16H22N6O4

>  <MolWeight> (1,266)
362.38368

>  <Item Name> (1,266)
Protirelin

>  <Catalog Number> (1,266)
S4680

>  <Synonyms> (1,266)
Thyroliberin, Lopremone, Synthetic TRH, Thyrotropin-releasing hormone, Rifathyroin

>  <Target> (1,266)
Others

>  <Form> (1,266)
Free Base

>  <URL> (1,266)
http://www.selleckchem.com/products/protirelin.html

>  <CAS Number> (1,266)
24305-27-9

$$$$
S4665 Rebeprazole sodium.cdx
csChFnd80/01151910432D

 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> (1,267)
1267

>  <Formula> (1,267)
C18H20N3NaO3S

>  <MolWeight> (1,267)
381.42447

>  <Item Name> (1,267)
Rebeprazole sodium

>  <Catalog Number> (1,267)
S4665

>  <Synonyms> (1,267)
Aciphex Sodium, Dexrabeprazole Sodium, Habeprazole Sodium

>  <Target> (1,267)
Proton Pump

>  <Form> (1,267)
sodium salt

>  <URL> (1,267)
http://www.selleckchem.com/products/rebeprazole-sodium.html

>  <CAS Number> (1,267)
117976-90-6

$$$$
S4663 Fusidate Sodium.cdx
csChFnd80/01151910432D

 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> (1,268)
1268

>  <Formula> (1,268)
C31H47NaO6

>  <MolWeight> (1,268)
538.69105

>  <Item Name> (1,268)
Fusidate Sodium

>  <Catalog Number> (1,268)
S4663

>  <Synonyms> (1,268)
Fucidin, Sodium fusidate, SQ-16360

>  <Target> (1,268)
Antifection

>  <Form> (1,268)
sodium salt

>  <URL> (1,268)
http://www.selleckchem.com/products/fusidate-sodium.html

>  <CAS Number> (1,268)
751-94-0

$$$$
S4601 5-Chloro-8-hydroxy-7-iodoquinoline.cdx
csChFnd80/01151910432D

 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> (1,269)
1269

>  <Formula> (1,269)
C9H5ClINO

>  <MolWeight> (1,269)
305.49957

>  <Item Name> (1,269)
Clioquinol

>  <Catalog Number> (1,269)
S4601

>  <Synonyms> (1,269)
Clioquinol, Iodochlorhydroxyquin, Chinoform

>  <Target> (1,269)
Antifection

>  <Form> (1,269)
Free Base

>  <URL> (1,269)
http://www.selleckchem.com/products/5-chloro-8-hydroxy-7-iodoquinoline.html

>  <CAS Number> (1,269)
130-26-7

$$$$
S4685 Efavirenz.cdx
csChFnd80/01151910432D

 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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    0.0000    4.5961    0.0000 Cl  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> (1,270)
1270

>  <Formula> (1,270)
C14H9ClF3NO2

>  <MolWeight> (1,270)
315.6749696

>  <Item Name> (1,270)
Efavirenz

>  <Catalog Number> (1,270)
S4685

>  <Synonyms> (1,270)
Sustiva, Stocrin, DMP-266, DMP 266

>  <Target> (1,270)
Reverse Transcriptase

>  <Form> (1,270)
Free Base

>  <URL> (1,270)
http://www.selleckchem.com/products/efavirenz.html

>  <CAS Number> (1,270)
154598-52-4

$$$$
S4696 ArbinoxaMine Maleate.cdx
csChFnd80/01151910432D

 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
    2.4249    3.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,271)
1271

>  <Formula> (1,271)
C20H23ClN2O5

>  <MolWeight> (1,271)
406.86002

>  <Item Name> (1,271)
arbinoxaMine Maleate

>  <Catalog Number> (1,271)
S4696

>  <Synonyms> (1,271)
N/A

>  <Target> (1,271)
Histamine Receptor

>  <Form> (1,271)
maleate

>  <URL> (1,271)
http://www.selleckchem.com/products/arbinoxamine-maleate.html

>  <CAS Number> (1,271)
3505-38-2

$$$$
S4669 Benzocaine hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,272)
1272

>  <Formula> (1,272)
C9H12ClNO2

>  <MolWeight> (1,272)
201.65008

>  <Item Name> (1,272)
Benzocaine hydrochloride

>  <Catalog Number> (1,272)
S4669

>  <Synonyms> (1,272)
Ethyl 4-aminobenzoate hydrochloride, Benzocaine HCl, Ethyl p-aminobenzoate hydrochloride

>  <Target> (1,272)
Sodium Channel

>  <Form> (1,272)
hydrochloride

>  <URL> (1,272)
http://www.selleckchem.com/products/benzocaine-hydrochloride.html

>  <CAS Number> (1,272)
23239-88-5

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,273)
1273

>  <Formula> (1,273)
C14H23ClN2O

>  <MolWeight> (1,273)
270.79822

>  <Item Name> (1,273)
Lidocaine hydrochloride

>  <Catalog Number> (1,273)
S4667

>  <Synonyms> (1,273)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (1,273)
Others

>  <Form> (1,273)
hydrochloride

>  <URL> (1,273)
http://www.selleckchem.com/products/lidocaine-hydrochloride.html

>  <CAS Number> (1,273)
73-78-9

$$$$
XENAZINE (tetrabenazine).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,274)
1274

>  <Formula> (1,274)
C19H27NO3

>  <MolWeight> (1,274)
317.42258

>  <Item Name> (1,274)
Tetrabenazine (Nitoman, Xenazine)

>  <Catalog Number> (1,274)
S1789

>  <Synonyms> (1,274)
N/A

>  <Target> (1,274)
5-alpha Reductase

>  <Form> (1,274)
Free Base

>  <URL> (1,274)
http://www.selleckchem.com/products/Tetrabenazine(Nitoman).html

>  <CAS Number> (1,274)
58-46-8

$$$$
S4689 Deoxycholic acid.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,275)
1275

>  <Formula> (1,275)
C24H40O4

>  <MolWeight> (1,275)
392.572

>  <Item Name> (1,275)
Deoxycholic acid

>  <Catalog Number> (1,275)
S4689

>  <Synonyms> (1,275)
Deoxycholate, Desoxycholic acid, Cholerebic, Cholorebic

>  <Target> (1,275)
Others

>  <Form> (1,275)
Free Base

>  <URL> (1,275)
http://www.selleckchem.com/products/deoxycholic-acid.html

>  <CAS Number> (1,275)
83-44-3

$$$$
S4697 Saxagliptin hydrate.cdx
csChFnd80/01151910432D

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  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,276)
1276

>  <Formula> (1,276)
C18H27N3O3

>  <MolWeight> (1,276)
333.42528

>  <Item Name> (1,276)
Saxagliptin hydrate 

>  <Catalog Number> (1,276)
S4697

>  <Synonyms> (1,276)
BMS-477118 hydrate, Onglyza hydrate, BMS 477118 hydrate, BMS477118 hydrate

>  <Target> (1,276)
DPP-4

>  <Form> (1,276)
hydrate

>  <URL> (1,276)
http://www.selleckchem.com/products/saxagliptin-hydrate.html

>  <CAS Number> (1,276)
945667-22-1

$$$$
S4636 Teneligliptin hydrobromide.cdx
csChFnd80/01151910432D

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 22 24  1  1  0  0  0
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A   31
2.5HBr
M  END
>  <Mol_ID> (1,277)
1277

>  <Formula> (1,277)
C22H30N6ORS

>  <MolWeight> (1,277)
426.5782

>  <Item Name> (1,277)
Teneligliptin hydrobromide

>  <Catalog Number> (1,277)
S4636

>  <Synonyms> (1,277)
Teneligliptin hydrobromide anhydrous

>  <Target> (1,277)
DPP-4

>  <Form> (1,277)
hydrobromide

>  <URL> (1,277)
http://www.selleckchem.com/products/teneligliptin-hydrobromide.html

>  <CAS Number> (1,277)
906093-29-6

$$$$
Atazanavir.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,278)
1278

>  <Formula> (1,278)
C38H52N6O7

>  <MolWeight> (1,278)
704.85548

>  <Item Name> (1,278)
Atazanavir

>  <Catalog Number> (1,278)
S4662

>  <Synonyms> (1,278)
Latazanavir, Zrivada, Reyataz, BMS-232632

>  <Target> (1,278)
HIV Protease

>  <Form> (1,278)
Free Base

>  <URL> (1,278)
http://www.selleckchem.com/products/atazanavir-reyataz.html

>  <CAS Number> (1,278)
198904-31-3

$$$$
AT-406.cdx
csChFnd80/01151910432D

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IAP

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http://www.selleckchem.com/products/at-406.html

>  <CAS Number> (1,279)
1071992-99-8, 1071992-57-8 (HCl)

$$$$
Tazobactam.cdx
csChFnd80/01151910432D

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Antifection

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Free Base

>  <URL> (1,280)
http://www.selleckchem.com/products/tazobactam.html

>  <CAS Number> (1,280)
89786-04-9, 89785-84-2 (sodium salt)

$$$$
S4673 Etonogestrel.cdx
csChFnd80/01151910432D

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>  <Formula> (1,281)
C22H28O2

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Etonogestrel

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Implanon, Nexplanon, 3-Oxodesogestrel, 3-keto-Desogestrel

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Estrogen/progestogen Receptor

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

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54048-10-1

$$$$
S4686 Escin.cdx
csChFnd80/01151910432D

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Aescin

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

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6805-41-0

$$$$
TH-302.cdx
csChFnd80/01151910432D

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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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csChFnd80/01151910432D

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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

$$$$
S4716 Evans Blue.cdx
csChFnd80/01151910432D

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Direct Blue 53

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GluR

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sodium salt

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314-13-6

$$$$
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csChFnd80/01151910432D

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    5.2503    2.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0483    0.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7017    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5319    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8587    3.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4977    1.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7448    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7143    0.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7321    1.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1056    3.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0941    0.3445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0908    1.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4575    4.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4516    3.2912    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  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  2  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
 14 17  1  0  0  0  0
 14 16  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> (1,286)
1286

>  <Formula> (1,286)
C17H14N2

>  <MolWeight> (1,286)
246.30646

>  <Item Name> (1,286)
3,3'-Diindolylmethane

>  <Catalog Number> (1,286)
S4728

>  <Synonyms> (1,286)
DIM

>  <Target> (1,286)
Others

>  <Form> (1,286)
Free Base

>  <URL> (1,286)
http://www.selleckchem.com/products/3-3-diindolylmethane.html

>  <CAS Number> (1,286)
1968-05-4

$$$$
S4708 Palmitoylethanolamide.cdx
csChFnd80/01151910432D

 21 20  0  0  0  0  0  0  0  0999 V2000
   15.7343    0.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5056    0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9264    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2955    0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1552    0.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0851    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3654    0.0367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1735    2.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9296    0.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7102    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7861    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4998    0.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0057    0.6693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0883    0.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6584    0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4390    0.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2379    0.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3119    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
  5  8  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
 10 12  1  0  0  0  0
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 12 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
 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
M  END
>  <Mol_ID> (1,287)
1287

>  <Formula> (1,287)
C18H37NO2

>  <MolWeight> (1,287)
299.49188

>  <Item Name> (1,287)
Palmitoylethanolamide

>  <Catalog Number> (1,287)
S4708

>  <Synonyms> (1,287)
Palmidrol|N-palmitoylethanolamine

>  <Target> (1,287)
PPAR

>  <Form> (1,287)
Free Base

>  <URL> (1,287)
http://www.selleckchem.com/products/palmitoylethanolamide.html

>  <CAS Number> (1,287)
544-31-0

$$$$
S4718 Acetylcholine iodide.cdx
csChFnd80/01151910432D

 11  9  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.4249    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
    0.0000    1.9124    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    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.6124    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
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,288)
1288

>  <Formula> (1,288)
C7H16INO2

>  <MolWeight> (1,288)
273.11191

>  <Item Name> (1,288)
Acetylcholine iodide

>  <Catalog Number> (1,288)
S4718

>  <Synonyms> (1,288)
Acetylcolina

>  <Target> (1,288)
Others

>  <Form> (1,288)
iodide salt

>  <URL> (1,288)
http://www.selleckchem.com/products/acetylcholine-iodide.html

>  <CAS Number> (1,288)
2260-50-6

$$$$
S4714 (-)-Menthol.cdx
csChFnd80/01151910432D

 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
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    2.4011    1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (1,289)
1289

>  <Formula> (1,289)
C10H20O

>  <MolWeight> (1,289)
156.2652

>  <Item Name> (1,289)
(-)-Menthol

>  <Catalog Number> (1,289)
S4714

>  <Synonyms> (1,289)
L-Menthol|Levomenthol|Menthomenthol|Menthacamphor

>  <Target> (1,289)
Others

>  <Form> (1,289)
Free Base

>  <URL> (1,289)
http://www.selleckchem.com/products/-menthol.html

>  <CAS Number> (1,289)
2216-51-5

$$$$
TEGISON (etretinate).cdx
csChFnd80/01151910432D

 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
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    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
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    1.2124    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   14.5577    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4074    2.1073    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
  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
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 20 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,290)
1290

>  <Formula> (1,290)
C23H30O3

>  <MolWeight> (1,290)
354.4825

>  <Item Name> (1,290)
Etretinate

>  <Catalog Number> (1,290)
S4699

>  <Synonyms> (1,290)
N/A

>  <Target> (1,290)
Retinoid Receptor

>  <Form> (1,290)
Free Base

>  <URL> (1,290)
http://www.selleckchem.com/products/etretinate.html

>  <CAS Number> (1,290)
54350-48-0

$$$$
S4726 Lauric Acid.cdx
csChFnd80/01151910432D

 14 13  0  0  0  0  0  0  0  0999 V2000
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    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
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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M  END
>  <Mol_ID> (1,291)
1291

>  <Formula> (1,291)
C12H24O2

>  <MolWeight> (1,291)
200.31776

>  <Item Name> (1,291)
Lauric Acid

>  <Catalog Number> (1,291)
S4726

>  <Synonyms> (1,291)
N/A

>  <Target> (1,291)
Others

>  <Form> (1,291)
Free Base

>  <URL> (1,291)
http://www.selleckchem.com/products/lauric-acid.html

>  <CAS Number> (1,291)
143-07-7

$$$$
Pantoprazole.cdx
csChFnd80/01151910432D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    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
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    4.8371    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    0.0000    3.8182    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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
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   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
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M  END
>  <Mol_ID> (1,292)
1292

>  <Formula> (1,292)
C16H15F2N3O4S

>  <MolWeight> (1,292)
383.3698064

>  <Item Name> (1,292)
Pantoprazole (Protonix)

>  <Catalog Number> (1,292)
S2105

>  <Synonyms> (1,292)
N/A

>  <Target> (1,292)
Proton Pump

>  <Form> (1,292)
Free Base

>  <URL> (1,292)
http://www.selleckchem.com/products/pantoprazole-protonix.html

>  <CAS Number> (1,292)
102625-70-7

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/01151910432D

 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> (1,293)
1293

>  <Formula> (1,293)
C6H12O5

>  <MolWeight> (1,293)
164.15648

>  <Item Name> (1,293)
2-Deoxy-D-glucose

>  <Catalog Number> (1,293)
S4701

>  <Synonyms> (1,293)
2-deoxyglucose, NSC 15193

>  <Target> (1,293)
Others

>  <Form> (1,293)
Free Base

>  <URL> (1,293)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

>  <CAS Number> (1,293)
154-17-6

$$$$
S4723 (-)Epicatechin.cdx
csChFnd80/01151910432D

 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
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    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
    8.4870    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    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
    8.4870    1.4000    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
    3.6373    5.6000    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
    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 O   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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 12  1  0  0  0  0
 10 14  2  0  0  0  0
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 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
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 14 18  1  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
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,294)
1294

>  <Formula> (1,294)
C15H14O6

>  <MolWeight> (1,294)
290.26806

>  <Item Name> (1,294)
(-)Epicatechin

>  <Catalog Number> (1,294)
S4723

>  <Synonyms> (1,294)
L-Epicatechin, (-)-Epicatechol

>  <Target> (1,294)
Others

>  <Form> (1,294)
Free Base

>  <URL> (1,294)
http://www.selleckchem.com/products/-epicatechin.html

>  <CAS Number> (1,294)
490-46-0

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/01151910432D

 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
    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
    4.8497    4.8951    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
    7.2746    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    6.9951    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
  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
 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 18  1  0  0  0  0
 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> (1,295)
1295

>  <Formula> (1,295)
C21H26ClN3OS

>  <MolWeight> (1,295)
403.96864

>  <Item Name> (1,295)
Perphenazine

>  <Catalog Number> (1,295)
S4731

>  <Synonyms> (1,295)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (1,295)
Dopamine Receptor

>  <Form> (1,295)
Free Base

>  <URL> (1,295)
http://www.selleckchem.com/products/perphenazine.html

>  <CAS Number> (1,295)
58-39-9

$$$$
Prochlorperazine dimaleate salt.cdx
csChFnd80/01151910432D

 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
    2.4249    1.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.0816    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.8816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.8816    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.0816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.4816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9805    6.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1899    7.5319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7734    7.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7756    8.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9849    9.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1921    8.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9871   11.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9784    5.4411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4802    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6895    2.0908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2753    3.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4846    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917    3.4859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4868    5.5806    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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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 14  2  1  0  0  0  0
  9 15  1  0  0  0  0
  6 16  1  0  0  0  0
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 22 23  1  0  0  0  0
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 22 25  1  0  0  0  0
 26 27  1  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  1  0  0  0  0
 30 32  2  0  0  0  0
 26 33  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
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 37 38  1  0  0  0  0
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 38 40  2  0  0  0  0
 34 41  2  0  0  0  0
M  END
>  <Mol_ID> (1,296)
1296

>  <Formula> (1,296)
C28H32ClN3O8S

>  <MolWeight> (1,296)
606.08698

>  <Item Name> (1,296)
Prochlorperazine dimaleate salt

>  <Catalog Number> (1,296)
S4631

>  <Synonyms> (1,296)
Prochlorperazin, Compazine, Capazine, Stemetil

>  <Target> (1,296)
Dopamine Receptor

>  <Form> (1,296)
dimaleate

>  <URL> (1,296)
http://www.selleckchem.com/products/prochlorperazine.html

>  <CAS Number> (1,296)
84-02-6

$$$$
S4729 Tamsulosin hydrochloride.cdx
csChFnd80/01151910432D

 29 29  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    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
    1.2124    2.8000    0.0000 S   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    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  1  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 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
   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> (1,297)
1297

>  <Formula> (1,297)
C20H29ClN2O5S

>  <MolWeight> (1,297)
444.97266

>  <Item Name> (1,297)
Tamsulosin hydrochloride

>  <Catalog Number> (1,297)
S4729

>  <Synonyms> (1,297)
Tamsulosina hydrochloride, Tamsulosinum hydrochloride

>  <Target> (1,297)
Adrenergic Receptor

>  <Form> (1,297)
hydrochloride

>  <URL> (1,297)
http://www.selleckchem.com/products/tamsulosin-hydrochloride.html

>  <CAS Number> (1,297)
106463-17-6

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/01151910432D

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   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
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   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
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   13.5510    7.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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
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   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
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    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
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   17.7261   12.4573    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  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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 23 29  1  0  0  0  0
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 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> (1,298)
1298

>  <Formula> (1,298)
C36H30O16

>  <MolWeight> (1,298)
718.6138

>  <Item Name> (1,298)
Salvianolic acid B

>  <Catalog Number> (1,298)
S4735

>  <Synonyms> (1,298)
Lithospermate B

>  <Target> (1,298)
Others

>  <Form> (1,298)
Free Base

>  <URL> (1,298)
http://www.selleckchem.com/products/salvianolic-acid-b.html

>  <CAS Number> (1,298)
121521-90-2

$$$$
S4733 Retigabine.cdx
csChFnd80/01151910432D

 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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    0.0000    4.9000    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
    3.6373    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
    6.0622    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
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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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    8.4870    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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 13 14  1  0  0  0  0
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 12 13  1  0  0  0  0
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  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> (1,299)
1299

>  <Formula> (1,299)
C16H18FN3O2

>  <MolWeight> (1,299)
303.3314232

>  <Item Name> (1,299)
Retigabine

>  <Catalog Number> (1,299)
S4733

>  <Synonyms> (1,299)
N-(2-amino-4-[fluorobenzylamino]-phenyl) carbamic acid|D-23129

>  <Target> (1,299)
Potassium Channel

>  <Form> (1,299)
Free Base

>  <URL> (1,299)
http://www.selleckchem.com/products/retigabine.html

>  <CAS Number> (1,299)
150812-12-7

$$$$
S4736 Trapidil.cdx
csChFnd80/01151910432D

 15 16  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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    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,300)
1300

>  <Formula> (1,300)
C10H15N5

>  <MolWeight> (1,300)
205.2596

>  <Item Name> (1,300)
Trapidil

>  <Catalog Number> (1,300)
S4736

>  <Synonyms> (1,300)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (1,300)
PDGFR

>  <Form> (1,300)
Free Base

>  <URL> (1,300)
http://www.selleckchem.com/products/trapidil.html

>  <CAS Number> (1,300)
15421-84-8

$$$$
S4737 Psoralen.cdx
csChFnd80/01151910432D

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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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    2.4249    0.0000    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
    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 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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M  END
>  <Mol_ID> (1,301)
1301

>  <Formula> (1,301)
C11H6O3

>  <MolWeight> (1,301)
186.16354

>  <Item Name> (1,301)
Psoralen

>  <Catalog Number> (1,301)
S4737

>  <Synonyms> (1,301)
psoralene, Ficusin, Furocoumarin

>  <Target> (1,301)
DNA/RNA Synthesis

>  <Form> (1,301)
Free Base

>  <URL> (1,301)
http://www.selleckchem.com/products/psoralen.html

>  <CAS Number> (1,301)
66-97-7

$$$$
Genistin.cdx
csChFnd80/01151910432D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6331    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    0.7024    0.0000 O   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    0.7024    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
   13.3284    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    2.8000    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
   16.9615    0.0024    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  6  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  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  9  2  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 13  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  2  0  0  0  0
 11 21  1  0  0  0  0
  1 22  1  1  0  0  0
  3 23  1  1  0  0  0
  2 24  1  6  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
 22 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,302)
1302

>  <Formula> (1,302)
C21H20O10

>  <MolWeight> (1,302)
432.3775

>  <Item Name> (1,302)
Genistin (Genistoside)

>  <Catalog Number> (1,302)
S2301

>  <Synonyms> (1,302)
Genistoside, Genistine, Genistein 7-glucoside, Genistein glucoside

>  <Target> (1,302)
Others

>  <Form> (1,302)
Free Base

>  <URL> (1,302)
http://www.selleckchem.com/products/Genistin(Genistoside).html

>  <CAS Number> (1,302)
529-59-9

$$$$
S4750 Sulfacetamide sodium salt hydrate.cdx
csChFnd80/01151910432D

 16 15  0  0  0  0  0  0  0  0999 V2000
    5.6000    3.5355    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.5355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    4.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.1355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.3231    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    5.9604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8349    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
  1  5  2  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
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,303)
1303

>  <Formula> (1,303)
C8H11N2NaO4S

>  <MolWeight> (1,303)
254.23871

>  <Item Name> (1,303)
Sulfacetamide Sodium salt hydrate

>  <Catalog Number> (1,303)
S4750

>  <Synonyms> (1,303)
N/A

>  <Target> (1,303)
Autophagy

>  <Form> (1,303)
sodium salt hyd

>  <URL> (1,303)
http://www.selleckchem.com/products/sulfacetamide-sodium-salt-hydrate.html

>  <CAS Number> (1,303)
6209-17-2

$$$$
S4749 Citalopram HBr.cdx
csChFnd80/01151910432D

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.1812    5.1159    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    5.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6118    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    6.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    4.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    2.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2195    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    7.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8653    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    4.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4729    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    5.1159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9035    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    4.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    6.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2787    2.1544    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  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  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 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
 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
 20 24  3  0  0  0  0
M  END
>  <Mol_ID> (1,304)
1304

>  <Formula> (1,304)
C20H22BrFN2O

>  <MolWeight> (1,304)
405.3038832

>  <Item Name> (1,304)
Citalopram HBr

>  <Catalog Number> (1,304)
S4749

>  <Synonyms> (1,304)
Nitalapram HBr, Prepram HBr, Bonitrile HBr, Lu 10-171 HBr

>  <Target> (1,304)
5-HT Receptor

>  <Form> (1,304)
hydrobromide

>  <URL> (1,304)
http://www.selleckchem.com/products/citalopram-hbr.html

>  <CAS Number> (1,304)
59729-32-7

$$$$
S4748 Ondansetron HCl.cdx
csChFnd80/01151910432D

 25 25  0  0  0  0  0  0  0  0999 V2000
    6.5550    3.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2274    4.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5550    2.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7693    4.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4007    3.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6624    5.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2197    2.0963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7657    1.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862    3.9228    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7693    6.0202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0088    3.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2706    5.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7825    0.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9736    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    4.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    4.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4117    3.9157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5487    2.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6880    4.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5051    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6192    3.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   12.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7813    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
  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  7  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  1  0  0  0  0
  9 14  1  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,305)
1305

>  <Formula> (1,305)
C18H24ClN3O3

>  <MolWeight> (1,305)
365.85446

>  <Item Name> (1,305)
Ondansetron Hydrochloride Dihydrate

>  <Catalog Number> (1,305)
S4748

>  <Synonyms> (1,305)
N/A

>  <Target> (1,305)
5-HT Receptor

>  <Form> (1,305)
hydrochloride

>  <URL> (1,305)
http://www.selleckchem.com/products/ondansetron-hcl.html

>  <CAS Number> (1,305)
103639-04-9

$$$$
S4752 Corticosterone.cdx
csChFnd80/01151910432D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.8554    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.0975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6416    2.1025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8583    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2803    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0636    0.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4305    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0721    4.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9605    5.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6109    2.3597    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
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    8.6155    4.6250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4323    5.5871    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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,306)
1306

>  <Formula> (1,306)
C21H30O4

>  <MolWeight> (1,306)
346.4605

>  <Item Name> (1,306)
Corticosterone

>  <Catalog Number> (1,306)
S4752

>  <Synonyms> (1,306)
17-deoxycortisol, 11¦Â,21-dihydroxyprogesterone

>  <Target> (1,306)
Glucocorticoid Receptor

>  <Form> (1,306)
Free Base

>  <URL> (1,306)
http://www.selleckchem.com/products/corticosterone.html

>  <CAS Number> (1,306)
50-22-6

$$$$
S4751 Cisapride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,307)
1307

>  <Formula> (1,307)
C23H31ClFN3O5

>  <MolWeight> (1,307)
483.9607432

>  <Item Name> (1,307)
Cisapride hydrate

>  <Catalog Number> (1,307)
S4751

>  <Synonyms> (1,307)
Propulsid, Alimix, Propulsin, Enteropride, Kinestase

>  <Target> (1,307)
5-HT Receptor

>  <Form> (1,307)
hydrate

>  <URL> (1,307)
http://www.selleckchem.com/products/cisapride.html

>  <CAS Number> (1,307)
260779-88-2

$$$$
Imidapril hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,308)
1308

>  <Formula> (1,308)
C20H28ClN3O6

>  <MolWeight> (1,308)
441.90582

>  <Item Name> (1,308)
Imidapril HCl

>  <Catalog Number> (1,308)
S2109

>  <Synonyms> (1,308)
N/A

>  <Target> (1,308)
RAAS

>  <Form> (1,308)
Hydrochloride

>  <URL> (1,308)
http://www.selleckchem.com/products/imidapril-tanatril.html

>  <CAS Number> (1,308)
89396-94-1

$$$$
S4678 Povidone iodine.cdx
csChFnd80/01151910432D

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A   11
n
A   12
xI2
M  END
>  <Mol_ID> (1,309)
1309

>  <Formula> (1,309)
C8H15NOR2

>  <MolWeight> (1,309)
141.2108

>  <Item Name> (1,309)
Povidone iodine

>  <Catalog Number> (1,309)
S4678

>  <Synonyms> (1,309)
Betadine, PVP iodine, PVP-I, Isodine

>  <Target> (1,309)
Antifection

>  <Form> (1,309)
iodine

>  <URL> (1,309)
http://www.selleckchem.com/products/povidone-iodine.html

>  <CAS Number> (1,309)
25655-41-8

$$$$
Azatadine dimaleate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,310)
1310

>  <Formula> (1,310)
C28H30N2O8

>  <MolWeight> (1,310)
522.5464

>  <Item Name> (1,310)
Azatadine dimaleate

>  <Catalog Number> (1,310)
S3186

>  <Synonyms> (1,310)
SCH10649

>  <Target> (1,310)
Histamine Receptor

>  <Form> (1,310)
Dimaleate

>  <URL> (1,310)
http://www.selleckchem.com/products/azatadine-dimaleate.html

>  <CAS Number> (1,310)
3978-86-7

$$$$
S1499 Cefaclor.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,311)
1311

>  <Formula> (1,311)
C15H16ClN3O5S

>  <MolWeight> (1,311)
385.82264

>  <Item Name> (1,311)
Cefaclor

>  <Catalog Number> (1,311)
S1499

>  <Synonyms> (1,311)
Cefachlor, Cefaclorum

>  <Target> (1,311)
Antifection

>  <Form> (1,311)
monohydrate

>  <URL> (1,311)
http://www.selleckchem.com/products/Cefaclor-(Ceclor).html

>  <CAS Number> (1,311)
70356-03-5

$$$$
Stavudine.cdx
csChFnd80/01151910432D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,312)
1312

>  <Formula> (1,312)
C10H12N2O4

>  <MolWeight> (1,312)
224.21328

>  <Item Name> (1,312)
Stavudine

>  <Catalog Number> (1,312)
S1398

>  <Synonyms> (1,312)
BMY-27857, Sanilvudine, NSC 163661

>  <Target> (1,312)
Reverse Transcriptase

>  <Form> (1,312)
free base

>  <URL> (1,312)
http://selleckchem.com/products/Stavudine.html

>  <CAS Number> (1,312)
3056-17-5

$$$$
NS-187.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,313)
1313

>  <Formula> (1,313)
C30H31F3N8O

>  <MolWeight> (1,313)
576.6153496

>  <Item Name> (1,313)
Bafetinib (INNO-406)

>  <Catalog Number> (1,313)
S1369

>  <Synonyms> (1,313)
NS-187

>  <Target> (1,313)
Abl,Lyn

>  <Form> (1,313)
Free Base

>  <URL> (1,313)
http://www.selleckchem.com/products/Bafetinib.html

>  <CAS Number> (1,313)
859212-16-1

$$$$
S4757 Dihydrotestosterone.cdx
csChFnd80/01151910432D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,314)
1314

>  <Formula> (1,314)
C19H30O2

>  <MolWeight> (1,314)
290.4403

>  <Item Name> (1,314)
Dihydrotestosterone (DHT)

>  <Catalog Number> (1,314)
S4757

>  <Synonyms> (1,314)
androstanolone, stanolone, 5¦Á-DHT

>  <Target> (1,314)
androgen receptor

>  <Form> (1,314)
free base

>  <URL> (1,314)
http://www.selleckchem.com/products/dihydrotestosterone.html

>  <CAS Number> (1,314)
521-18-6

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,315)
1315

>  <Formula> (1,315)
C18H16O8

>  <MolWeight> (1,315)
360.31484

>  <Item Name> (1,315)
Rosmarinic acid

>  <Catalog Number> (1,315)
S3612

>  <Synonyms> (1,315)
Rosemary acid

>  <Target> (1,315)
IKK ¦Â

>  <Form> (1,315)
free base

>  <URL> (1,315)
http://www.selleckchem.com/products/rosmarinic-acid.html

>  <CAS Number> (1,315)
20283-92-5

$$$$
S3697 Mafenide hydrochloride.cdx
csChFnd80/01151910432D

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    4.8376    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.7932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,316)
1316

>  <Formula> (1,316)
C7H11ClN2O2S

>  <MolWeight> (1,316)
222.69244

>  <Item Name> (1,316)
Mafenide hydrochloride

>  <Catalog Number> (1,316)
S3697

>  <Synonyms> (1,316)
4-Aminomethylbenzenesulfonamide hydrochloride

>  <Target> (1,316)
carbonic anhydrase

>  <Form> (1,316)
hydrochloride

>  <URL> (1,316)
http://www.selleckchem.com/products/mafenide-hydrochloride.html

>  <CAS Number> (1,316)
138-37-4

$$$$
S3698 Nortriptyline (hydrochloride).cdx
csChFnd80/01151910432D

 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
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    2.3826    6.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,317)
1317

>  <Formula> (1,317)
C19H22ClN

>  <MolWeight> (1,317)
299.83768

>  <Item Name> (1,317)
Nortriptyline hydrochloride

>  <Catalog Number> (1,317)
S3698

>  <Synonyms> (1,317)
ELF-101 hydrochloride, EN-7048 hydrochloride, Desmethylamitriptyline hydrochloride

>  <Target> (1,317)
Kv channels

>  <Form> (1,317)
hydrochloride

>  <URL> (1,317)
http://www.selleckchem.com/products/nortriptyline-hydrochloride.html

>  <CAS Number> (1,317)
894-71-3

$$$$
S3701 Benactyzine hydrochloride.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (1,318)
1318

>  <Formula> (1,318)
C20H26ClNO3

>  <MolWeight> (1,318)
363.87834

>  <Item Name> (1,318)
Benactyzine hydrochloride

>  <Catalog Number> (1,318)
S3701

>  <Synonyms> (1,318)
N/A

>  <Target> (1,318)
AChR

>  <Form> (1,318)
hydrochloride

>  <URL> (1,318)
http://www.selleckchem.com/products/benactyzine-hydrochloride.html

>  <CAS Number> (1,318)
57-37-4

$$$$
S3687 Urea.cdx
csChFnd80/01151910432D

  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 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
M  END
>  <Mol_ID> (1,319)
1319

>  <Formula> (1,319)
CH4N2O

>  <MolWeight> (1,319)
60.05526

>  <Item Name> (1,319)
Urea

>  <Catalog Number> (1,319)
S3687

>  <Synonyms> (1,319)
Carbamide, Carbonyldiamide, Ureophil

>  <Target> (1,319)
Others

>  <Form> (1,319)
free base

>  <URL> (1,319)
http://www.selleckchem.com/products/urea.html

>  <CAS Number> (1,319)
57-13-6

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,320)
1320

>  <Formula> (1,320)
C5H12N2S2

>  <MolWeight> (1,320)
164.29218

>  <Item Name> (1,320)
Pyrrolidinedithiocarbamate ammonium

>  <Catalog Number> (1,320)
S3633

>  <Synonyms> (1,320)
APDC, PDTC

>  <Target> (1,320)
NF-¦ÊB

>  <Form> (1,320)
ammonium salt

>  <URL> (1,320)
http://www.selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

>  <CAS Number> (1,320)
5108-96-3

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,321)
1321

>  <Formula> (1,321)
C42H68N2O16

>  <MolWeight> (1,321)
856.99312

>  <Item Name> (1,321)
Diammonium Glycyrrhizinate

>  <Catalog Number> (1,321)
S3622

>  <Synonyms> (1,321)
N/A

>  <Target> (1,321)
Others

>  <Form> (1,321)
ammonium salt 

>  <URL> (1,321)
http://www.selleckchem.com/products/diammonium-glycyrrhizinate.html

>  <CAS Number> (1,321)
79165-06-3

$$$$
S3610 Cordycepin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,322)
1322

>  <Formula> (1,322)
C10H13N5O3

>  <MolWeight> (1,322)
251.24192

>  <Item Name> (1,322)
Cordycepin

>  <Catalog Number> (1,322)
S3610

>  <Synonyms> (1,322)
N/A

>  <Target> (1,322)
Others

>  <Form> (1,322)
free base

>  <URL> (1,322)
http://www.selleckchem.com/products/cordycepin.html

>  <CAS Number> (1,322)
73-03-0

$$$$
S3621 Pazufloxacin (mesylate).cdx
csChFnd80/01151910432D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,323)
1323

>  <Formula> (1,323)
C17H19FN2O7S

>  <MolWeight> (1,323)
414.4053632

>  <Item Name> (1,323)
Pazufloxacin mesylate

>  <Catalog Number> (1,323)
S3621

>  <Synonyms> (1,323)
T-3762, Pazucross

>  <Target> (1,323)
Antifection

>  <Form> (1,323)
methanesulfonate

>  <URL> (1,323)
http://www.selleckchem.com/products/pazufloxacin-mesylate.html

>  <CAS Number> (1,323)
163680-77-1

$$$$
S3625 Tyramine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,324)
1324

>  <Formula> (1,324)
C8H11NO

>  <MolWeight> (1,324)
137.17904

>  <Item Name> (1,324)
Tyramine

>  <Catalog Number> (1,324)
S3625

>  <Synonyms> (1,324)
4-hydroxyphenethylamine, para-tyramine, mydrial, uteramin

>  <Target> (1,324)
Others

>  <Form> (1,324)
free base

>  <URL> (1,324)
http://www.selleckchem.com/products/tyramine.html

>  <CAS Number> (1,324)
51-67-2

$$$$
S3684 Methacholine chloride.cdx
csChFnd80/01151910432D

 12 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,325)
1325

>  <Formula> (1,325)
C8H18ClNO2

>  <MolWeight> (1,325)
195.68702

>  <Item Name> (1,325)
Methacholine chloride

>  <Catalog Number> (1,325)
S3684

>  <Synonyms> (1,325)
Mecholyl chloride, Acetyl-¦Â-methylcholine chloride

>  <Target> (1,325)
muscarinic receptor

>  <Form> (1,325)
chloride

>  <URL> (1,325)
http://www.selleckchem.com/products/methacholine-chloride.html

>  <CAS Number> (1,325)
62-51-1

$$$$
S3732 Avibactam sodium.cdx
csChFnd80/01151910432D

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 19  3  1  0  0  0  0
M  END
>  <Mol_ID> (1,326)
1326

>  <Formula> (1,326)
C7H10N3NaO6S

>  <MolWeight> (1,326)
287.22557

>  <Item Name> (1,326)
Avibactam sodium

>  <Catalog Number> (1,326)
S3732

>  <Synonyms> (1,326)
AVE-1330A, NXL104

>  <Target> (1,326)
 ¦Â-lactamase

>  <Form> (1,326)
sodium salt

>  <URL> (1,326)
http://www.selleckchem.com/products/avibactam-sodium.html

>  <CAS Number> (1,326)
1192491-61-4

$$$$
S3645 Kitasamycin.cdx
csChFnd80/01151910432D

 55 57  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,327)
1327

>  <Formula> (1,327)
C40H67NO14

>  <MolWeight> (1,327)
785.95828

>  <Item Name> (1,327)
Kitasamycin

>  <Catalog Number> (1,327)
S3645

>  <Synonyms> (1,327)
leucomycin

>  <Target> (1,327)
Antifection

>  <Form> (1,327)
free base

>  <URL> (1,327)
http://www.selleckchem.com/products/kitasamycin.html

>  <CAS Number> (1,327)
1392-21-8

$$$$
S3646 Thimerosal.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,328)
1328

>  <Formula> (1,328)
C9H9HgNaO2S

>  <MolWeight> (1,328)
404.81133

>  <Item Name> (1,328)
Thimerosal

>  <Catalog Number> (1,328)
S3646

>  <Synonyms> (1,328)
Thiomersalate, Mercurothiolate

>  <Target> (1,328)
Antifection

>  <Form> (1,328)
sodium salt

>  <URL> (1,328)
http://www.selleckchem.com/products/thimerosal.html

>  <CAS Number> (1,328)
54-64-8

$$$$
S3668 Thymopentin.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,329)
1329

>  <Formula> (1,329)
C30H49N9O9

>  <MolWeight> (1,329)
679.76496

>  <Item Name> (1,329)
Thymopentin

>  <Catalog Number> (1,329)
S3668

>  <Synonyms> (1,329)
TP5

>  <Target> (1,329)
Immunology & Inflammation related

>  <Form> (1,329)
free base

>  <URL> (1,329)
http://www.selleckchem.com/products/thymopentin.html

>  <CAS Number> (1,329)
69558-55-0

$$$$
S3672 Cefonicid (sodium).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,330)
1330

>  <Formula> (1,330)
C18H16N6Na2O8S3

>  <MolWeight> (1,330)
586.52958

>  <Item Name> (1,330)
Cefonicid sodium

>  <Catalog Number> (1,330)
S3672

>  <Synonyms> (1,330)
Cefonicid sodium

>  <Target> (1,330)
Antifection

>  <Form> (1,330)
disodium salt

>  <URL> (1,330)
http://www.selleckchem.com/products/cefonicid-sodium.html

>  <CAS Number> (1,330)
61270-78-8

$$$$
S3674 Levamlodipine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,331)
1331

>  <Formula> (1,331)
C20H25ClN2O5

>  <MolWeight> (1,331)
408.8759

>  <Item Name> (1,331)
Levamlodipine

>  <Catalog Number> (1,331)
S3674

>  <Synonyms> (1,331)
S-amlodipine

>  <Target> (1,331)
calcium channel

>  <Form> (1,331)
free base

>  <URL> (1,331)
http://www.selleckchem.com/products/levamlodipine.html

>  <CAS Number> (1,331)
103129-82-4

$$$$
S3120 Doxepin hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,332)
1332

>  <Formula> (1,332)
C19H22ClNO

>  <MolWeight> (1,332)
315.83708

>  <Item Name> (1,332)
Doxepin hydrochloride

>  <Catalog Number> (1,332)
S3120

>  <Synonyms> (1,332)
N/A

>  <Target> (1,332)
CYP2D6

>  <Form> (1,332)
hydrochloride

>  <URL> (1,332)
http://www.selleckchem.com/products/doxepin-hydrochloride-sinequan.html

>  <CAS Number> (1,332)
1229-29-4

$$$$
S3690 Pargyline (hydrochloride).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,333)
1333

>  <Formula> (1,333)
C11H14ClN

>  <MolWeight> (1,333)
195.68856

>  <Item Name> (1,333)
Pargyline hydrochloride

>  <Catalog Number> (1,333)
S3690

>  <Synonyms> (1,333)
Pargylamine hydrochloride

>  <Target> (1,333)
monoamine oxidase (MAO)-B

>  <Form> (1,333)
hydrochloride 

>  <URL> (1,333)
http://www.selleckchem.com/products/pargyline-hydrochloride.html

>  <CAS Number> (1,333)
306-07-0

$$$$
S3713 Moxidectin.cdx
csChFnd80/01151910432D

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C37H53NO8

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>  <Item Name> (1,334)
Moxidectin

>  <Catalog Number> (1,334)
S3713

>  <Synonyms> (1,334)
milbemycin B

>  <Target> (1,334)
Antifection

>  <Form> (1,334)
free base

>  <URL> (1,334)
http://www.selleckchem.com/products/moxidectin.html

>  <CAS Number> (1,334)
113507-06-5

$$$$
S3671 Quinestrol.cdx
csChFnd80/01151910432D

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>  <Formula> (1,335)
C25H32O2

>  <MolWeight> (1,335)
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>  <Item Name> (1,335)
Quinestrol

>  <Catalog Number> (1,335)
S3671

>  <Synonyms> (1,335)
Ethinylestradiol 3-cyclopentyl ether, EE2CPE, W-3566

>  <Target> (1,335)
Estrogen/progestogen Receptor

>  <Form> (1,335)
free base

>  <URL> (1,335)
http://www.selleckchem.com/products/quinestrol.html

>  <CAS Number> (1,335)
152-43-2

$$$$
Iopromide.cdx
csChFnd80/01151910432D

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>  <Formula> (1,336)
C18H24I3N3O8

>  <MolWeight> (1,336)
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>  <Item Name> (1,336)
Iopromide

>  <Catalog Number> (1,336)
S3207

>  <Synonyms> (1,336)
N/A

>  <Target> (1,336)
Others

>  <Form> (1,336)
free base

>  <URL> (1,336)
http://www.selleckchem.com/products/iopromide.html

>  <CAS Number> (1,336)
73334-07-3

$$$$
S3726 Selexipag.cdx
csChFnd80/01151910432D

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1337

>  <Formula> (1,337)
C26H32N4O4S

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Selexipag

>  <Catalog Number> (1,337)
S3726

>  <Synonyms> (1,337)
NS-304, ACT-293987

>  <Target> (1,337)
prostacyclin IP receptor

>  <Form> (1,337)
free base

>  <URL> (1,337)
http://www.selleckchem.com/products/selexipag.html

>  <CAS Number> (1,337)
475086-01-2

$$$$
S3728 Grazoprevir.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,338)
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>  <Formula> (1,338)
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>  <MolWeight> (1,338)
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>  <Item Name> (1,338)
Grazoprevir

>  <Catalog Number> (1,338)
S3728

>  <Synonyms> (1,338)
MK5172

>  <Target> (1,338)
Hepatitis C Virus NS3/4A Protease

>  <Form> (1,338)
free base

>  <URL> (1,338)
http://www.selleckchem.com/products/grazoprevir.html

>  <CAS Number> (1,338)
1350514-68-9

$$$$
S3731 Tipiracil hydrochloride.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,339)
1339

>  <Formula> (1,339)
C9H12Cl2N4O2

>  <MolWeight> (1,339)
279.12318

>  <Item Name> (1,339)
Tipiracil hydrochloride

>  <Catalog Number> (1,339)
S3731

>  <Synonyms> (1,339)
MA-1 hydrochloride

>  <Target> (1,339)
thymidine phosphorylase

>  <Form> (1,339)
hydrochloride

>  <URL> (1,339)
http://www.selleckchem.com/products/tipiracil-hydrochloride.html

>  <CAS Number> (1,339)
183204-72-0

$$$$
S3635 Medroxyprogesterone.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,340)
1340

>  <Formula> (1,340)
C22H32O3

>  <MolWeight> (1,340)
344.48768

>  <Item Name> (1,340)
Medroxyprogesterone

>  <Catalog Number> (1,340)
S3635

>  <Synonyms> (1,340)
MP

>  <Target> (1,340)
progesterone receptor

>  <Form> (1,340)
free base

>  <URL> (1,340)
http://www.selleckchem.com/products/medroxyprogesterone.html

>  <CAS Number> (1,340)
520-85-4

$$$$
S3636 Cefadroxil (hydrate).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,341)
1341

>  <Formula> (1,341)
C16H19N3O6S

>  <MolWeight> (1,341)
381.40356

>  <Item Name> (1,341)
Cefadroxil hydrate

>  <Catalog Number> (1,341)
S3636

>  <Synonyms> (1,341)
N/A

>  <Target> (1,341)
Antifection

>  <Form> (1,341)
hydrate

>  <URL> (1,341)
http://www.selleckchem.com/products/cefadroxil-hydrate.html

>  <CAS Number> (1,341)
66592-87-8

$$$$
S3637 Cefpirome (sulfate).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,342)
1342

>  <Formula> (1,342)
C22H24N6O9S3

>  <MolWeight> (1,342)
612.65576

>  <Item Name> (1,342)
Cefpirome sulfate

>  <Catalog Number> (1,342)
S3637

>  <Synonyms> (1,342)
N/A

>  <Target> (1,342)
Antifection

>  <Form> (1,342)
sulfate

>  <URL> (1,342)
http://www.selleckchem.com/products/cefpirome-sulfate.html

>  <CAS Number> (1,342)
98753-19-6

$$$$
S3638 Cefamandole (nafate).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,343)
1343

>  <Formula> (1,343)
C19H17N6NaO6S2

>  <MolWeight> (1,343)
512.49465

>  <Catalog Number> (1,343)
S3638

>  <Synonyms> (1,343)
N/A

>  <Target> (1,343)
penicillin-binding proteins

>  <Form> (1,343)
sodium salt

>  <URL> (1,343)
http://www.selleckchem.com/products/cefamandole-nafate.html

>  <CAS Number> (1,343)
42540-40-9

$$$$
S3640 Methoxyphenamine (Hydrochloride).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,344)
1344

>  <Formula> (1,344)
C11H18ClNO

>  <MolWeight> (1,344)
215.71972

>  <Item Name> (1,344)
Methoxyphenamine Hydrochloride

>  <Catalog Number> (1,344)
S3640

>  <Synonyms> (1,344)
2-methoxy-N-methylamphetamine Hydrochloride, OMMA Hydrochloride

>  <Target> (1,344)
 ¦Â-adrenergic receptor

>  <Form> (1,344)
hydrochloride

>  <URL> (1,344)
http://www.selleckchem.com/products/methoxyphenamine-hydrochloride.html

>  <CAS Number> (1,344)
5588-10-3

$$$$
S3641 Osalmid.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,345)
1345

>  <Formula> (1,345)
C13H11NO3

>  <MolWeight> (1,345)
229.23134

>  <Item Name> (1,345)
Osalmid

>  <Catalog Number> (1,345)
S3641

>  <Synonyms> (1,345)
N/A

>  <Target> (1,345)
ribonucleotide reductase

>  <Form> (1,345)
free base

>  <URL> (1,345)
http://www.selleckchem.com/products/osalmid.html

>  <CAS Number> (1,345)
526-18-1

$$$$
S3644 Sulfamonomethoxine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,346)
1346

>  <Formula> (1,346)
C11H12N4O3S

>  <MolWeight> (1,346)
280.30298

>  <Item Name> (1,346)
Sulfamonomethoxine

>  <Catalog Number> (1,346)
S3644

>  <Synonyms> (1,346)
N/A

>  <Target> (1,346)
Antifection

>  <Form> (1,346)
free base

>  <URL> (1,346)
http://www.selleckchem.com/products/sulfamonomethoxine.html

>  <CAS Number> (1,346)
1220-83-3

$$$$
S3648 Amlexanox.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,347)
1347

>  <Formula> (1,347)
C16H14N2O4

>  <MolWeight> (1,347)
298.29336

>  <Item Name> (1,347)
Amlexanox

>  <Catalog Number> (1,347)
S3648

>  <Synonyms> (1,347)
AA-673, CHX-3673

>  <Target> (1,347)
TBK1,IKK-¦Å

>  <Form> (1,347)
free base

>  <URL> (1,347)
http://www.selleckchem.com/products/amlexanox.html

>  <CAS Number> (1,347)
68302-57-8

$$$$
S3727 Vilanterol Trifenate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,348)
1348

>  <Formula> (1,348)
C44H49Cl2NO7

>  <MolWeight> (1,348)
774.76836

>  <Item Name> (1,348)
Vilanterol Trifenate

>  <Catalog Number> (1,348)
S3727

>  <Synonyms> (1,348)
GW642444M Trifenate

>  <Target> (1,348)
¦Â2-adrenoceptor

>  <Form> (1,348)
trifenatate

>  <URL> (1,348)
http://www.selleckchem.com/products/vilanterol-trifenate.html

>  <CAS Number> (1,348)
503070-58-4

$$$$
S3655 Cefepime (Dihydrochloride Monohydrate).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,349)
1349

>  <Formula> (1,349)
C19H28Cl2N6O6S2

>  <MolWeight> (1,349)
571.49822

>  <Item Name> (1,349)
Cefepime Dihydrochloride Monohydrate

>  <Catalog Number> (1,349)
S3655

>  <Synonyms> (1,349)
N/A

>  <Target> (1,349)
Antifection

>  <Form> (1,349)
dihydrochloride hydrate

>  <URL> (1,349)
http://www.selleckchem.com/products/cefepime-dihydrochloride-monohydrate.html

>  <CAS Number> (1,349)
123171-59-5

$$$$
S3656 Piribedil.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,350)
1350

>  <Formula> (1,350)
C16H18N4O2

>  <MolWeight> (1,350)
298.33972

>  <Item Name> (1,350)
Piribedil

>  <Catalog Number> (1,350)
S3656

>  <Synonyms> (1,350)
Trivastal, Trivastan

>  <Target> (1,350)
D3 receptor,adrenoceptor ¦Á2,D2 receptor

>  <Form> (1,350)
free base

>  <URL> (1,350)
http://www.selleckchem.com/products/piribedil.html

>  <CAS Number> (1,350)
3605-01-4

$$$$
S3657 Promestriene.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,351)
1351

>  <Formula> (1,351)
C22H32O2

>  <MolWeight> (1,351)
328.48828

>  <Item Name> (1,351)
Promestriene

>  <Catalog Number> (1,351)
S3657

>  <Synonyms> (1,351)
3-propyl ethyl, 17B-methyl estradiol

>  <Target> (1,351)
Estrogen Receptor

>  <Form> (1,351)
free base

>  <URL> (1,351)
http://www.selleckchem.com/products/promestriene.html

>  <CAS Number> (1,351)
39219-28-8

$$$$
S3658 O6-Benzylguanine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,352)
1352

>  <Formula> (1,352)
C12H11N5O

>  <MolWeight> (1,352)
241.24864

>  <Item Name> (1,352)
O6-Benzylguanine

>  <Catalog Number> (1,352)
S3658

>  <Synonyms> (1,352)
O6-BG

>  <Target> (1,352)
O6-alkylguanine DNA alkyltransferase

>  <Form> (1,352)
free base

>  <URL> (1,352)
http://www.selleckchem.com/products/o6-benzylguanine.html

>  <CAS Number> (1,352)
19916-73-5

$$$$
S3659 Fludrocortisone (acetate).cdx
csChFnd80/01151910432D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
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M  END
>  <Mol_ID> (1,353)
1353

>  <Formula> (1,353)
C23H31FO6

>  <MolWeight> (1,353)
422.4870432

>  <Item Name> (1,353)
Fludrocortisone acetate

>  <Catalog Number> (1,353)
S3659

>  <Synonyms> (1,353)
9¦Á-fluorocortisol acetate

>  <Target> (1,353)
others

>  <Form> (1,353)
free base

>  <URL> (1,353)
http://www.selleckchem.com/products/fludrocortisone-acetate.html

>  <CAS Number> (1,353)
514-36-3

$$$$
S3663 Afloqualone.cdx
csChFnd80/01151910432D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,354)
1354

>  <Formula> (1,354)
C16H14FN3O

>  <MolWeight> (1,354)
283.3002632

>  <Item Name> (1,354)
Afloqualone

>  <Catalog Number> (1,354)
S3663

>  <Synonyms> (1,354)
HQ-495

>  <Target> (1,354)
GABAA ¦Â receptor

>  <Form> (1,354)
free base

>  <URL> (1,354)
http://www.selleckchem.com/products/afloqualone.html

>  <CAS Number> (1,354)
56287-74-2

$$$$
S3673 Sulfaphenazole.cdx
csChFnd80/01151910432D

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 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,355)
1355

>  <Formula> (1,355)
C15H14N4O2S

>  <MolWeight> (1,355)
314.36226

>  <Item Name> (1,355)
Sulfaphenazole

>  <Catalog Number> (1,355)
S3673

>  <Synonyms> (1,355)
Depocid, Depotsulfonamide, Plisulfan, Raziosulfa

>  <Target> (1,355)
CYP2C9

>  <Form> (1,355)
free base

>  <URL> (1,355)
http://www.selleckchem.com/products/sulfaphenazole.html

>  <CAS Number> (1,355)
526-08-9

$$$$
S3742 Cholic acid.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,356)
1356

>  <Formula> (1,356)
C24H40O5

>  <MolWeight> (1,356)
408.5714

>  <Item Name> (1,356)
Cholic acid

>  <Catalog Number> (1,356)
S3742

>  <Synonyms> (1,356)
N/A

>  <Target> (1,356)
Others

>  <Form> (1,356)
free base

>  <URL> (1,356)
http://www.selleckchem.com/products/cholic-acid.html

>  <CAS Number> (1,356)
81-25-4

$$$$
S3711 Carbasalate Calcium.cdx
csChFnd80/01151910432D

 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
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   13.0195    5.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,357)
1357

>  <Formula> (1,357)
C19H18CaN2O9

>  <MolWeight> (1,357)
458.43222

>  <Item Name> (1,357)
Carbasalate Calcium

>  <Catalog Number> (1,357)
S3711

>  <Synonyms> (1,357)
Iromin, Alcacyl, Omegin, Rheomin, Solupsan

>  <Target> (1,357)
platelet aggregation

>  <Form> (1,357)
calcium salt

>  <URL> (1,357)
http://www.selleckchem.com/products/carbasalate-calcium.html

>  <CAS Number> (1,357)
5749-67-7

$$$$
S3743 Oxiglutatione.cdx
csChFnd80/01151910432D

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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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M  END
>  <Mol_ID> (1,358)
1358

>  <Formula> (1,358)
C20H32N6O12S2

>  <MolWeight> (1,358)
612.63108

>  <Item Name> (1,358)
Oxiglutatione

>  <Catalog Number> (1,358)
S3743

>  <Synonyms> (1,358)
Oxidized glutathione, Glutathione disulfide, GSSG, Bi(glutathion-S-yl)

>  <Target> (1,358)
Others

>  <Form> (1,358)
free base

>  <URL> (1,358)
http://www.selleckchem.com/products/oxiglutatione.html

>  <CAS Number> (1,358)
27025-41-8

$$$$
S3705 Chlorobutanol.cdx
csChFnd80/01151910432D

  8  7  0  0  0  0  0  0  0  0999 V2000
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    1.4000    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  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> (1,359)
1359

>  <Formula> (1,359)
C4H7Cl3O

>  <MolWeight> (1,359)
177.45678

>  <Item Name> (1,359)
Chlorobutanol

>  <Catalog Number> (1,359)
S3705

>  <Synonyms> (1,359)
Chlorbutol, Chloreton, Chloretone, Chlortran|

>  <Target> (1,359)
Antifection

>  <Form> (1,359)
free base

>  <URL> (1,359)
http://www.selleckchem.com/products/chlorobutanol.html

>  <CAS Number> (1,359)
57-15-8

$$$$
S3717 Testosterone Enanthate.cdx
csChFnd80/01151910432D

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Testosterone Enanthate

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Testosterone heptanoate, NSC-17591

>  <Target> (1,360)
androgen receptor

>  <Form> (1,360)
free base

>  <URL> (1,360)
http://www.selleckchem.com/products/testosterone-enanthate.html

>  <CAS Number> (1,360)
315-37-7

$$$$
S3714 Lifitegrast.cdx
csChFnd80/01151910432D

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>  <Item Name> (1,361)
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>  <Catalog Number> (1,361)
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>  <Synonyms> (1,361)
SAR1118

>  <Target> (1,361)
Integrin

>  <Form> (1,361)
free base

>  <URL> (1,361)
http://www.selleckchem.com/products/lifitegrast.html

>  <CAS Number> (1,361)
1025967-78-5

$$$$
S3718 Leuprolide Acetate.cdx
csChFnd80/01151910432D

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M  END
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>  <Formula> (1,362)
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>  <MolWeight> (1,362)
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>  <Synonyms> (1,362)
Leuprorelin Acetate

>  <Target> (1,362)
GnRHR

>  <Form> (1,362)
acetate

>  <URL> (1,362)
http://www.selleckchem.com/products/leuprolide-acetate.html

>  <CAS Number> (1,362)
74381-53-6

$$$$
S3719 Topiroxostat.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,363)
1363

>  <Formula> (1,363)
C13H8N6

>  <MolWeight> (1,363)
248.24282

>  <Item Name> (1,363)
Topiroxostat

>  <Catalog Number> (1,363)
S3719

>  <Synonyms> (1,363)
N/A

>  <Target> (1,363)
XOR

>  <Form> (1,363)
free base

>  <URL> (1,363)
http://www.selleckchem.com/products/topiroxostat.html

>  <CAS Number> (1,363)
577778-58-6

$$$$
S3720 Elafibranor.cdx
csChFnd80/01151910432D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,364)
1364

>  <Formula> (1,364)
C22H24O4S

>  <MolWeight> (1,364)
384.48856

>  <Item Name> (1,364)
Elafibranor

>  <Catalog Number> (1,364)
S3720

>  <Synonyms> (1,364)
GFT505

>  <Target> (1,364)
PPAR¦Á,PPAR¦Ä

>  <Form> (1,364)
free base

>  <URL> (1,364)
http://www.selleckchem.com/products/elafibranor.html

>  <CAS Number> (1,364)
923978-27-2

$$$$
S3722 Isavuconazole.cdx
csChFnd80/01151910432D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,365)
1365

>  <Formula> (1,365)
C22H17F2N5OS

>  <MolWeight> (1,365)
437.4650864

>  <Item Name> (1,365)
Isavuconazole

>  <Catalog Number> (1,365)
S3722

>  <Synonyms> (1,365)
BAL-4815, RO-0094815

>  <Target> (1,365)
Antifection

>  <Form> (1,365)
free base

>  <URL> (1,365)
http://www.selleckchem.com/products/isavuconazole.html

>  <CAS Number> (1,365)
241479-67-4

$$$$
S3723 Ramosetron  Hydrochloride.cdx
csChFnd80/01151910432D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  6  0  0  0
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M  END
>  <Mol_ID> (1,366)
1366

>  <Formula> (1,366)
C17H18ClN3O

>  <MolWeight> (1,366)
315.79732

>  <Item Name> (1,366)
Ramosetron Hydrochloride

>  <Catalog Number> (1,366)
S3723

>  <Synonyms> (1,366)
YM-060

>  <Target> (1,366)
5-HT3 receptor

>  <Form> (1,366)
hydrochloride

>  <URL> (1,366)
http://www.selleckchem.com/products/ramosetron-hydrochloride.html

>  <CAS Number> (1,366)
132907-72-3

$$$$
S3724 Velpatasvir.cdx
csChFnd80/01151910432D

 65 73  0  0  0  0  0  0  0  0999 V2000
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M  END
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>  <Formula> (1,367)
C49H54N8O8

>  <MolWeight> (1,367)
883.00186

>  <Item Name> (1,367)
Velpatasvir

>  <Catalog Number> (1,367)
S3724

>  <Synonyms> (1,367)
GS-5816

>  <Target> (1,367)
NS5A

>  <Form> (1,367)
free base

>  <URL> (1,367)
http://www.selleckchem.com/products/velpatasvir.html

>  <CAS Number> (1,367)
1377049-84-7

$$$$
S3735 Umeclidinium bromide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,368)
1368

>  <Formula> (1,368)
C29H34BrNO2

>  <MolWeight> (1,368)
508.48976

>  <Item Name> (1,368)
Umeclidinium bromide

>  <Catalog Number> (1,368)
S3735

>  <Synonyms> (1,368)
N/A

>  <Target> (1,368)
mAChR

>  <Form> (1,368)
bromide

>  <URL> (1,368)
http://www.selleckchem.com/products/umeclidinium-bromide.html

>  <CAS Number> (1,368)
869113-09-7

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,369)
1369

>  <Formula> (1,369)
C17H17N3Na2O8

>  <MolWeight> (1,369)
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>  <Item Name> (1,369)
Balsalazide disodium

>  <Catalog Number> (1,369)
S3745

>  <Synonyms> (1,369)
N/A

>  <Target> (1,369)
Immunology & Inflammation related

>  <Form> (1,369)
disodium salt dihydrate

>  <URL> (1,369)
http://www.selleckchem.com/products/balsalazide-disodium.html

>  <CAS Number> (1,369)
150399-21-6

$$$$
S3746 Lumefantrine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,370)
1370

>  <Formula> (1,370)
C30H32Cl3NO

>  <MolWeight> (1,370)
528.94018

>  <Item Name> (1,370)
Lumefantrine

>  <Catalog Number> (1,370)
S3746

>  <Synonyms> (1,370)
benflumetol

>  <Target> (1,370)
Antifection

>  <Form> (1,370)
free base

>  <URL> (1,370)
http://www.selleckchem.com/products/lumefantrine.html

>  <CAS Number> (1,370)
82186-77-4

$$$$
S3706 Sarpogrelate hydrochloride.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,371)
1371

>  <Formula> (1,371)
C24H32ClNO6

>  <MolWeight> (1,371)
465.96698

>  <Item Name> (1,371)
Sarpogrelate hydrochloride

>  <Catalog Number> (1,371)
S3706

>  <Synonyms> (1,371)
MCI-9042

>  <Target> (1,371)
5-HT2A, 5-HT2C, 5-HT2B

>  <Form> (1,371)
hydrochloride

>  <URL> (1,371)
http://www.selleckchem.com/products/sarpogrelate-hydrochloride.html

>  <CAS Number> (1,371)
135159-51-2

$$$$
S3707 Ethopabate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,372)
1372

>  <Formula> (1,372)
C12H15NO4

>  <MolWeight> (1,372)
237.2518

>  <Item Name> (1,372)
Ethopabate

>  <Catalog Number> (1,372)
S3707

>  <Synonyms> (1,372)
Ethyl pabate

>  <Target> (1,372)
Antifection

>  <Form> (1,372)
free base

>  <URL> (1,372)
http://www.selleckchem.com/products/ethopabate.html

>  <CAS Number> (1,372)
59-06-3

$$$$
S3708 Sulfachloropyridazine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,373)
1373

>  <Formula> (1,373)
C10H9ClN4O2S

>  <MolWeight> (1,373)
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>  <Item Name> (1,373)
Sulfachloropyridazine

>  <Catalog Number> (1,373)
S3708

>  <Synonyms> (1,373)
N/A

>  <Target> (1,373)
Antifection

>  <Form> (1,373)
free base

>  <URL> (1,373)
http://www.selleckchem.com/products/sulfachloropyridazine.html

>  <CAS Number> (1,373)
80-32-0

$$$$
S3716 Flibanserin.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,374)
1374

>  <Formula> (1,374)
C20H21F3N4O

>  <MolWeight> (1,374)
390.4021496

>  <Item Name> (1,374)
Flibanserin

>  <Catalog Number> (1,374)
S3716

>  <Synonyms> (1,374)
BIMT-17, BIMT-17-BS

>  <Target> (1,374)
5-HT1A receptor.D4 receptor,5-HT2A receptor

>  <Form> (1,374)
free base

>  <URL> (1,374)
http://www.selleckchem.com/products/flibanserin.html

>  <CAS Number> (1,374)
167933-07-5

$$$$
S3739 Calcipotriene.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,375)
1375

>  <Formula> (1,375)
C27H40O3

>  <MolWeight> (1,375)
412.6047

>  <Item Name> (1,375)
Calcipotriene

>  <Catalog Number> (1,375)
S3739

>  <Synonyms> (1,375)
Calcipotriol

>  <Target> (1,375)
Others

>  <Form> (1,375)
free base

>  <URL> (1,375)
http://www.selleckchem.com/products/calcipotriene.html

>  <CAS Number> (1,375)
112965-21-6

$$$$
S3685 4-Biphenylacetic acid.cdx
csChFnd80/01151910432D

 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
    4.9002    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3001    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    0.0000    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  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
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M  END
>  <Mol_ID> (1,376)
1376

>  <Formula> (1,376)
C14H12O2

>  <MolWeight> (1,376)
212.24388

>  <Item Name> (1,376)
4-Biphenylacetic acid

>  <Catalog Number> (1,376)
S3685

>  <Synonyms> (1,376)
BPA

>  <Target> (1,376)
Immunology & Inflammation related

>  <Form> (1,376)
free base

>  <URL> (1,376)
http://www.selleckchem.com/products/4-biphenylacetic-acid.html

>  <CAS Number> (1,376)
5728-52-9

$$$$
S3694 Glucosamine (hydrochloride).cdx
csChFnd80/01151910432D

 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
    2.4035    2.1151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.7747    2.2587    0.0000 Cl  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> (1,377)
1377

>  <Formula> (1,377)
C6H14ClNO5

>  <MolWeight> (1,377)
215.63206

>  <Item Name> (1,377)
Glucosamine hydrochloride

>  <Catalog Number> (1,377)
S3694

>  <Synonyms> (1,377)
2-Amino-2-deoxy-glucose HCl, Chitosamine HCl

>  <Target> (1,377)
Others

>  <Form> (1,377)
hydrochloride

>  <URL> (1,377)
http://www.selleckchem.com/products/glucosamine-hydrochloride.html

>  <CAS Number> (1,377)
66-84-2

$$$$
Boceprevir (SCH 503034).cdx
csChFnd80/01151910432D

 39 41  0  0  0  0  0  0  0  0999 V2000
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  3 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,378)
1378

>  <Formula> (1,378)
C27H45N5O5

>  <MolWeight> (1,378)
519.6767

>  <Item Name> (1,378)
Boceprevir

>  <Catalog Number> (1,378)
S3733

>  <Synonyms> (1,378)
N/A

>  <Target> (1,378)
hepatitis C virus (HCV) protease

>  <Form> (1,378)
free base

>  <URL> (1,378)
http://www.selleckchem.com/products/boceprevir.html

>  <CAS Number> (1,378)
394730-60-0

$$$$
S3750 Sodium benzoate.cdx
csChFnd80/01151910432D

 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
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    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
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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  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,379)
1379

>  <Formula> (1,379)
C7H5NaO2

>  <MolWeight> (1,379)
144.10317

>  <Item Name> (1,379)
Sodium benzoate

>  <Catalog Number> (1,379)
S3750

>  <Synonyms> (1,379)
Benzoic acid sodium salt

>  <Target> (1,379)
Antifection

>  <Form> (1,379)
sodium salt

>  <URL> (1,379)
http://www.selleckchem.com/products/sodium-benzoate.html

>  <CAS Number> (1,379)
532-32-1

$$$$
S3730 Metaxalone.cdx
csChFnd80/01151910432D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    2.4489    1.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2264    3.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4489    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2939    4.1944    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    4.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5733    3.6285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4434    5.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5077    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8111    5.8775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9013    4.5266    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
  3  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  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  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
 14 16  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,380)
1380

>  <Formula> (1,380)
C12H15NO3

>  <MolWeight> (1,380)
221.2524

>  <Item Name> (1,380)
Metaxalone

>  <Catalog Number> (1,380)
S3730

>  <Synonyms> (1,380)
Skelaxin, Methaxalonum, Zorane

>  <Target> (1,380)
Others

>  <Form> (1,380)
free base

>  <URL> (1,380)
http://www.selleckchem.com/products/metaxalone.html

>  <CAS Number> (1,380)
1665-48-1

$$$$
S3747 Levothyroxine sodium.cdx
csChFnd80/01151910432D

 25 25  0  0  0  0  0  0  0  0999 V2000
    3.6552    3.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8689    4.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4652    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (1,381)
1381

>  <Formula> (1,381)
C15H10I4NNaO4

>  <MolWeight> (1,381)
798.85185

>  <Item Name> (1,381)
Levothyroxine sodium

>  <Catalog Number> (1,381)
S3747

>  <Synonyms> (1,381)
L-T4 sodium, L-Thyroxine sodium, LT4 sodium

>  <Target> (1,381)
Thyroid hormone receptor

>  <Form> (1,381)
sodium salt

>  <URL> (1,381)
http://www.selleckchem.com/products/levothyroxine-sodium.html

>  <CAS Number> (1,381)
55-03-8

$$$$
S3729 Iron sucrose.cdx
csChFnd80/01151910432D

 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> (1,382)
1382

>  <Formula> (1,382)
C18H24Fe2O24

>  <MolWeight> (1,382)
736.05876

>  <Item Name> (1,382)
Iron sucrose

>  <Catalog Number> (1,382)
S3729

>  <Synonyms> (1,382)
Iron saccharate, Sucroferric oxyhydroxide

>  <Target> (1,382)
Others

>  <Form> (1,382)
Iron saccharate

>  <URL> (1,382)
http://www.selleckchem.com/products/iron-sucrose.html

>  <CAS Number> (1,382)
8047-67-4

$$$$
S3751 Quinidine sulfate.cdx
csChFnd80/01151910432D

 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
    9.8438    2.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8545    5.8961    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   15.5336    6.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4751    7.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1531    5.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3557    7.1012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7797    8.4799    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.6665    6.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6978    9.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8722    3.8637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1830    8.2307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9226    3.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6206    1.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9226    4.5465    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1093    2.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3656    0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8271    0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1472    5.2535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7223    5.2395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1117    1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1850    1.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12 18  1  6  0  0  0
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 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 32  1  6  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
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M  END
>  <Mol_ID> (1,383)
1383

>  <Formula> (1,383)
C40H54N4O10S

>  <MolWeight> (1,383)
782.94256

>  <Item Name> (1,383)
Quinidine sulfate

>  <Catalog Number> (1,383)
S3751

>  <Synonyms> (1,383)
Chinidin Sodium, Pitayine Sodium, ¦Â-quinine Sodium, (+)-quinidine Sodium

>  <Target> (1,383)
sodium channels

>  <Form> (1,383)
sulfate dihydrate

>  <URL> (1,383)
http://www.selleckchem.com/products/quinidine-sulfate.html

>  <CAS Number> (1,383)
6591-63-5

$$$$
S3664 Flupenthixol dihydrochloride.cdx
csChFnd80/01151910432D

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  1  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,384)
1384

>  <Formula> (1,384)
C23H27Cl2F3N2OS

>  <MolWeight> (1,384)
507.4394896

>  <Item Name> (1,384)
Flupenthixol dihydrochloride

>  <Catalog Number> (1,384)
S3664

>  <Synonyms> (1,384)
N/A

>  <Target> (1,384)
dopamine receptors

>  <Form> (1,384)
dihydrochloride

>  <URL> (1,384)
http://www.selleckchem.com/products/flupenthixol-dihydrochloride.html

>  <CAS Number> (1,384)
51529-01-2

$$$$
S3741 Benznidazole.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,385)
1385

>  <Formula> (1,385)
C12H12N4O3

>  <MolWeight> (1,385)
260.24868

>  <Item Name> (1,385)
Benznidazole

>  <Catalog Number> (1,385)
S3741

>  <Synonyms> (1,385)
Radanil

>  <Target> (1,385)
Antifection

>  <Form> (1,385)
free base

>  <URL> (1,385)
http://www.selleckchem.com/products/benznidazole.html

>  <CAS Number> (1,385)
22994-85-0

$$$$
Colchicine.cdx
csChFnd80/01151910432D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,386)
1386

>  <Formula> (1,386)
C22H25NO6

>  <MolWeight> (1,386)
399.437

>  <Item Name> (1,386)
Colchicine

>  <Catalog Number> (1,386)
S2284

>  <Synonyms> (1,386)
Colchineos, Colchisol, Colcin

>  <Target> (1,386)
Microtubule Associated inhibitor 

>  <Form> (1,386)
free base

>  <URL> (1,386)
http://www.selleckchem.com/products/colchicine.html

>  <CAS Number> (1,386)
64-86-8

$$$$
Cinchonine.cdx
csChFnd80/01151910432D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,387)
1387

>  <Formula> (1,387)
C19H22N2O

>  <MolWeight> (1,387)
294.39078

>  <Catalog Number> (1,387)
S2283

>  <Synonyms> (1,387)
N/A

>  <Target> (1,387)
Others

>  <Form> (1,387)
free base

>  <URL> (1,387)
http://www.selleckchem.com/products/cinchonine.html

>  <CAS Number> (1,387)
118-10-5

$$$$
S3666 Ilaprazole.cdx
csChFnd80/01151910432D

 26 29  0  0  0  0  0  0  0  0999 V2000
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    3.4248    1.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4243    3.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,388)
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>  <Formula> (1,388)
C19H18N4O2S

>  <MolWeight> (1,388)
366.43682

>  <Item Name> (1,388)
Ilaprazole

>  <Catalog Number> (1,388)
S3666

>  <Synonyms> (1,388)
IY-81149

>  <Target> (1,388)
Proton pump,TOPK 

>  <Form> (1,388)
free base

>  <URL> (1,388)
http://www.selleckchem.com/products/ilaprazole.html

>  <CAS Number> (1,388)
172152-36-2

$$$$
S3643 Amitraz.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,389)
1389

>  <Formula> (1,389)
C19H23N3

>  <MolWeight> (1,389)
293.40602

>  <Item Name> (1,389)
Amitraz

>  <Catalog Number> (1,389)
S3643

>  <Synonyms> (1,389)
NSC 324552

>  <Target> (1,389)
¦Á2 adrenergic receptor

>  <Form> (1,389)
free base

>  <URL> (1,389)
http://www.selleckchem.com/products/amitraz.html

>  <CAS Number> (1,389)
33089-61-1

$$$$
S4758 Crocin.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,390)
1390

>  <Formula> (1,390)
C44H64O24

>  <MolWeight> (1,390)
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>  <Item Name> (1,390)
Crocin

>  <Catalog Number> (1,390)
S4758

>  <Synonyms> (1,390)
Alpha-Crocin, Gardenia Yellow

>  <Target> (1,390)
Others

>  <Form> (1,390)
free base

>  <URL> (1,390)
http://www.selleckchem.com/products/crocin.html

>  <CAS Number> (1,390)
42553-65-1

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,391)
1391

>  <Formula> (1,391)
C26H45NO6S

>  <MolWeight> (1,391)
499.7036

>  <Item Name> (1,391)
Tauroursodeoxycholic Acid

>  <Catalog Number> (1,391)
S3654

>  <Synonyms> (1,391)
N/A

>  <Target> (1,391)
Others

>  <Form> (1,391)
free base

>  <URL> (1,391)
http://www.selleckchem.com/products/tauroursodeoxycholic-acid.html

>  <CAS Number> (1,391)
14605-22-2

$$$$
S3941 Pinocembrin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,392)
1392

>  <Formula> (1,392)
C15H12O4

>  <MolWeight> (1,392)
256.25338

>  <Item Name> (1,392)
Pinocembrin

>  <Catalog Number> (1,392)
S3941

>  <Synonyms> (1,392)
Pinocembrin

>  <Target> (1,392)
Antifection

>  <Form> (1,392)
free base

>  <URL> (1,392)
http://www.selleckchem.com/products/pinocembrin.html

>  <CAS Number> (1,392)
480-39-7

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,393)
1393

>  <Formula> (1,393)
C18H22O4

>  <MolWeight> (1,393)
302.36488

>  <Item Name> (1,393)
Nordihydroguaiaretic acid

>  <Catalog Number> (1,393)
S3984

>  <Synonyms> (1,393)
N/A

>  <Target> (1,393)
lipoxygenase

>  <Form> (1,393)
free base

>  <URL> (1,393)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

>  <CAS Number> (1,393)
500-38-9

$$$$
S3954 Alphalipoic acid.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,394)
1394

>  <Formula> (1,394)
C8H14O2S2

>  <MolWeight> (1,394)
206.32556

>  <Item Name> (1,394)
Alphalipoic acid

>  <Catalog Number> (1,394)
S3954

>  <Synonyms> (1,394)
thioctic acid

>  <Target> (1,394)
ROS

>  <Form> (1,394)
free base

>  <URL> (1,394)
http://www.selleckchem.com/products/alphalipoic-acid.html

>  <CAS Number> (1,394)
1077-28-7

$$$$
S3960 Higenamine hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,395)
1395

>  <Formula> (1,395)
C16H18ClNO3

>  <MolWeight> (1,395)
307.77202

>  <Item Name> (1,395)
Higenamine hydrochloride

>  <Catalog Number> (1,395)
S3960

>  <Synonyms> (1,395)
Higenamine hydrochloride

>  <Target> (1,395)
¦Â2-adrenoceptor,¦Á1-adrenoceptor

>  <Form> (1,395)
hydrochloride

>  <URL> (1,395)
http://www.selleckchem.com/products/higenamine-hydrochloride.html

>  <CAS Number> (1,395)
11041-94-4

$$$$
S3823 Schizandrol A.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,396)
1396

>  <Formula> (1,396)
C24H32O7

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>  <Synonyms> (1,396)
N/A

>  <Target> (1,396)
Others

>  <Form> (1,396)
free base

>  <URL> (1,396)
http://www.selleckchem.com/products/schizandrol-a.html

>  <CAS Number> (1,396)
7432-28-2

$$$$
S3835 Loganin.cdx
csChFnd80/01151910432D

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>  <Formula> (1,397)
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>  <MolWeight> (1,397)
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>  <Item Name> (1,397)
Loganin

>  <Catalog Number> (1,397)
S3835

>  <Synonyms> (1,397)
Loganoside

>  <Target> (1,397)
AChE,BACE1,BChE

>  <Form> (1,397)
free base

>  <URL> (1,397)
http://www.selleckchem.com/products/loganin.html

>  <CAS Number> (1,397)
18524-94-2

$$$$
S3957 Gamma-Oryzanol.cdx
csChFnd80/01151910432D

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>  <Formula> (1,398)
C40H58O4

>  <MolWeight> (1,398)
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>  <Item Name> (1,398)
Gamma-Oryzanol

>  <Catalog Number> (1,398)
S3957

>  <Synonyms> (1,398)
N/A

>  <Target> (1,398)
Others

>  <Form> (1,398)
free base

>  <URL> (1,398)
http://www.selleckchem.com/products/gamma-oryzanol.html

>  <CAS Number> (1,398)
11042-64-1

$$$$
S3968 Histamine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,399)
1399

>  <Formula> (1,399)
C5H9N3

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>  <Item Name> (1,399)
Histamine

>  <Catalog Number> (1,399)
S3968

>  <Synonyms> (1,399)
N/A

>  <Target> (1,399)
Histamine receptor

>  <Form> (1,399)
free base

>  <URL> (1,399)
http://www.selleckchem.com/products/histamine.html

>  <CAS Number> (1,399)
51-45-6

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,400)
1400

>  <Formula> (1,400)
C19H17NaO6S

>  <MolWeight> (1,400)
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>  <Item Name> (1,400)
Tanshinone IIA sulfonate (sodium)

>  <Catalog Number> (1,400)
S3766

>  <Synonyms> (1,400)
N/A

>  <Target> (1,400)
CYP3A4

>  <Form> (1,400)
sodium salt

>  <URL> (1,400)
http://www.selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

>  <CAS Number> (1,400)
69659-80-9

$$$$
S3775 Ligustrazine hydrochloride.cdx
csChFnd80/01151910432D

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  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> (1,401)
1401

>  <Formula> (1,401)
C8H13ClN2

>  <MolWeight> (1,401)
172.65522

>  <Item Name> (1,401)
Ligustrazine hydrochloride

>  <Catalog Number> (1,401)
S3775

>  <Synonyms> (1,401)
Tetramethylpyrazine HCl, Tetrapyrazine HCl

>  <Target> (1,401)
Immunology & Inflammation

>  <Form> (1,401)
hydrochloride

>  <URL> (1,401)
http://www.selleckchem.com/products/ligustrazine-hydrochloride.html

>  <CAS Number> (1,401)
76494-51-4

$$$$
Lappaconitine.cdx
csChFnd80/01151910432D

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 10 43  1  1  0  0  0
  4 44  1  1  0  0  0
 38 45  1  1  0  0  0
 45 46  1  0  0  0  0
M  END
>  <Mol_ID> (1,402)
1402

>  <Formula> (1,402)
C32H44N2O8

>  <MolWeight> (1,402)
584.70036

>  <Item Name> (1,402)
Lappaconitine

>  <Catalog Number> (1,402)
S2318

>  <Synonyms> (1,402)
N/A

>  <Target> (1,402)
Sodium channel 

>  <Form> (1,402)
free base

>  <URL> (1,402)
http://www.selleckchem.com/products/lappaconitine.html

>  <CAS Number> (1,402)
32854-75-4

$$$$
S3758 Sinomenine hydrochloride.cdx
csChFnd80/01151910432D

 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
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    5.6000    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  CFW  27 BOND_GSTEREO 4
M  END
>  <Mol_ID> (1,403)
1403

>  <Formula> (1,403)
C19H24ClNO4

>  <MolWeight> (1,403)
365.85116

>  <Item Name> (1,403)
Sinomenine hydrochloride

>  <Catalog Number> (1,403)
S3758

>  <Synonyms> (1,403)
Cucoline hydrochloride, Kukoline hydrochloride, Sabianine A hydrochloride

>  <Target> (1,403)
Immunology & Inflammation

>  <Form> (1,403)
hydrochloride

>  <URL> (1,403)
http://www.selleckchem.com/products/sinomenine-hydrochloride.html

>  <CAS Number> (1,403)
6080-33-7

$$$$
S3764 Isoferulic Acid.cdx
csChFnd80/01151910432D

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    4.8451    3.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,404)
1404

>  <Formula> (1,404)
C10H10O4

>  <MolWeight> (1,404)
194.184

>  <Item Name> (1,404)
Isoferulic Acid

>  <Catalog Number> (1,404)
S3764

>  <Synonyms> (1,404)
Hesperetic acid, Hesperetate, Isoferulate

>  <Target> (1,404)
Others

>  <Form> (1,404)
free base

>  <URL> (1,404)
http://www.selleckchem.com/products/isoferulic-acid.html

>  <CAS Number> (1,404)
537-73-5

$$$$
S3780 Secoisolariciresinol diglucoside.cdx
csChFnd80/01151910432D

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  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
 13  8  1  1  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 16 10  1  1  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  2  0  0  0  0
 17 26  1  0  0  0  0
 18 25  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
 20 29  1  6  0  0  0
 21 30  2  0  0  0  0
 21 31  1  0  0  0  0
 22 30  1  0  0  0  0
 23 32  1  0  0  0  0
 24 33  1  0  0  0  0
 24 34  1  6  0  0  0
 25 35  1  0  0  0  0
 26 36  1  0  0  0  0
 27 37  1  0  0  0  0
 27 38  1  1  0  0  0
 28 39  1  1  0  0  0
 28 37  1  0  0  0  0
 30 40  1  0  0  0  0
 31 41  1  0  0  0  0
 32 42  1  0  0  0  0
 32 43  1  1  0  0  0
 33 44  1  1  0  0  0
 33 42  1  0  0  0  0
 37 45  1  6  0  0  0
 38 46  1  0  0  0  0
 42 47  1  6  0  0  0
 43 48  1  0  0  0  0
M  END
>  <Mol_ID> (1,405)
1405

>  <Formula> (1,405)
C32H46O16

>  <MolWeight> (1,405)
686.69804

>  <Item Name> (1,405)
Secoisolariciresinol diglucoside

>  <Catalog Number> (1,405)
S3780

>  <Synonyms> (1,405)
N/A

>  <Target> (1,405)
Others

>  <Form> (1,405)
free base

>  <URL> (1,405)
http://www.selleckchem.com/products/secoisolariciresinol-diglucoside.html

>  <CAS Number> (1,405)
148244-82-0

$$$$
S3755 Betaine.cdx
csChFnd80/01151910432D

  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> (1,406)
1406

>  <Formula> (1,406)
C5H11NO2

>  <MolWeight> (1,406)
117.14634

>  <Item Name> (1,406)
Betaine

>  <Catalog Number> (1,406)
S3755

>  <Synonyms> (1,406)
trimethylglycine, glycine betaine, lycine, oxyneurine

>  <Target> (1,406)
Others

>  <Form> (1,406)
inner salt

>  <URL> (1,406)
http://www.selleckchem.com/products/betaine.html

>  <CAS Number> (1,406)
107-43-7

$$$$
S3846 Eupatilin.cdx
csChFnd80/01151910432D

 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> (1,407)
1407

>  <Formula> (1,407)
C18H16O7

>  <MolWeight> (1,407)
344.31544

>  <Item Name> (1,407)
Eupatilin

>  <Catalog Number> (1,407)
S3846

>  <Synonyms> (1,407)
NSC 122413

>  <Target> (1,407)
Others

>  <Form> (1,407)
free base

>  <URL> (1,407)
http://www.selleckchem.com/products/eupatilin.html

>  <CAS Number> (1,407)
22368-21-4

$$$$
S3948 Spermine.cdx
csChFnd80/01151910432D

 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> (1,408)
1408

>  <Formula> (1,408)
C10H26N4

>  <MolWeight> (1,408)
202.34024

>  <Item Name> (1,408)
Spermine

>  <Catalog Number> (1,408)
S3948

>  <Synonyms> (1,408)
4,9-Diaza-1,12-dodecanediamine

>  <Target> (1,408)
Others

>  <Form> (1,408)
free base

>  <URL> (1,408)
http://www.selleckchem.com/products/spermine.html

>  <CAS Number> (1,408)
71-44-3

$$$$
S3945 L-Cycloserine.cdx
csChFnd80/01151910432D

  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> (1,409)
1409

>  <Formula> (1,409)
C3H6N2O2

>  <MolWeight> (1,409)
102.09194

>  <Item Name> (1,409)
L-Cycloserine

>  <Catalog Number> (1,409)
S3945

>  <Synonyms> (1,409)
Levcycloserine, Levcicloserina, Levcycloserinum, (-)-Cycloserine, (S)-Cycloserine

>  <Target> (1,409)
3-ketodihydrosphingosine synthetase

>  <Form> (1,409)
free base

>  <URL> (1,409)
http://www.selleckchem.com/products/l-cycloserine.html

>  <CAS Number> (1,409)
339-72-0

$$$$
S3979 Zinc Undecylenate.cdx
csChFnd80/01151910432D

 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> (1,410)
1410

>  <Formula> (1,410)
C22H38O4Zn

>  <MolWeight> (1,410)
431.92472

>  <Item Name> (1,410)
Zinc Undecylenate

>  <Catalog Number> (1,410)
S3979

>  <Synonyms> (1,410)
Zinc diundec-10-enoate, Zinc 10-undecenoate

>  <Target> (1,410)
Antifection

>  <Form> (1,410)
zinc salt

>  <URL> (1,410)
http://www.selleckchem.com/products/zinc-undecylenate.html

>  <CAS Number> (1,410)
557-08-4

$$$$
S3812 Monocrotaline.cdx
csChFnd80/01151910432D

 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
    1.0998    7.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0372    7.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  6  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 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> (1,411)
1411

>  <Formula> (1,411)
C16H23NO6

>  <MolWeight> (1,411)
325.35692

>  <Item Name> (1,411)
Monocrotaline

>  <Catalog Number> (1,411)
S3812

>  <Synonyms> (1,411)
Crotaline

>  <Target> (1,411)
Others

>  <Form> (1,411)
free base

>  <URL> (1,411)
http://www.selleckchem.com/products/monocrotaline.html

>  <CAS Number> (1,411)
315-22-0

$$$$
S3889 Arteether.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (1,412)
1412

>  <Formula> (1,412)
C17H28O5

>  <MolWeight> (1,412)
312.40122

>  <Item Name> (1,412)
Arteether

>  <Catalog Number> (1,412)
S3889

>  <Synonyms> (1,412)
N/A

>  <Target> (1,412)
Others

>  <Form> (1,412)
free base

>  <URL> (1,412)
http://www.selleckchem.com/products/arteether.html

>  <CAS Number> (1,412)
75887-54-6

$$$$
S3881 Scopoletin.cdx
csChFnd80/01151910432D

 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
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    2.4241    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4309    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,413)
1413

>  <Formula> (1,413)
C10H8O4

>  <MolWeight> (1,413)
192.16812

>  <Item Name> (1,413)
Scopoletin

>  <Catalog Number> (1,413)
S3881

>  <Synonyms> (1,413)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (1,413)
Immunology & Inflammation related

>  <Form> (1,413)
free base

>  <URL> (1,413)
http://www.selleckchem.com/products/scopoletin.html

>  <CAS Number> (1,413)
92-61-5

$$$$
S3809 Imperatorin.cdx
csChFnd80/01151910432D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,414)
1414

>  <Formula> (1,414)
C16H14O4

>  <MolWeight> (1,414)
270.27996

>  <Item Name> (1,414)
Imperatorin

>  <Catalog Number> (1,414)
S3809

>  <Synonyms> (1,414)
Ammidin, Marmelosin, Pentosalen, 8-Isoamylenoxypsoralen, 8-Isopentenyloxypsoralene

>  <Target> (1,414)
Calcium channel

>  <Form> (1,414)
free base

>  <URL> (1,414)
http://www.selleckchem.com/products/imperatorin.html

>  <CAS Number> (1,414)
482-44-0

$$$$
S3778 Patchouli alcohol.cdx
csChFnd80/01151910432D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,415)
1415

>  <Formula> (1,415)
C15H26O

>  <MolWeight> (1,415)
222.36634

>  <Item Name> (1,415)
Patchouli alcohol

>  <Catalog Number> (1,415)
S3778

>  <Synonyms> (1,415)
(-)-Patchouli Alcohol, Patchoulol, Patchouli camphor

>  <Target> (1,415)
Immunology & Inflammation related

>  <Form> (1,415)
free base

>  <URL> (1,415)
http://www.selleckchem.com/products/patchouli-alcohol.html

>  <CAS Number> (1,415)
5986-55-0

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/01151910432D

 32 37  0  0  0  0  0  0  0  0999 V2000
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    4.8359    2.8234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,416)
1416

>  <Formula> (1,416)
C20H24O11

>  <MolWeight> (1,416)
440.39796

>  <Item Name> (1,416)
Ginkgolide C

>  <Catalog Number> (1,416)
S3781

>  <Synonyms> (1,416)
BN-52022

>  <Target> (1,416)
Others

>  <Form> (1,416)
free base

>  <URL> (1,416)
http://www.selleckchem.com/products/ginkgolide-c.html

>  <CAS Number> (1,416)
15291-76-6

$$$$
S3791 Succinic acid.cdx
csChFnd80/01151910432D

  8  7  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,417)
1417

>  <Formula> (1,417)
C4H6O4

>  <MolWeight> (1,417)
118.08804

>  <Item Name> (1,417)
Succinic acid

>  <Catalog Number> (1,417)
S3791

>  <Synonyms> (1,417)
1,4-Butandioic Acid; 1,2-Ethanedicarboxylic acid; Amber acid; Asuccin; Butanedioic acid

>  <Target> (1,417)
Others

>  <Form> (1,417)
free base

>  <URL> (1,417)
http://www.selleckchem.com/products/succinic-acid.html

>  <CAS Number> (1,417)
110-15-6

$$$$
S3926 Forsythin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,418)
1418

>  <Formula> (1,418)
C27H34O11

>  <MolWeight> (1,418)
534.55226

>  <Item Name> (1,418)
Forsythin

>  <Catalog Number> (1,418)
S3926

>  <Synonyms> (1,418)
Phillyrin

>  <Target> (1,418)
Others

>  <Form> (1,418)
free base

>  <URL> (1,418)
http://www.selleckchem.com/products/forsythin.html

>  <CAS Number> (1,418)
487-41-2

$$$$
S3927 Swertiamarin.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (1,419)
1419

>  <Formula> (1,419)
C16H22O10

>  <MolWeight> (1,419)
374.33988

>  <Item Name> (1,419)
Swertiamarin

>  <Catalog Number> (1,419)
S3927

>  <Synonyms> (1,419)
Swertiamarin

>  <Target> (1,419)
Others

>  <Form> (1,419)
free base

>  <URL> (1,419)
http://www.selleckchem.com/products/swertiamarin.html

>  <CAS Number> (1,419)
17388-39-5

$$$$
S4797 Nicergoline.cdx
csChFnd80/01151910432D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,420)
1420

>  <Formula> (1,420)
C24H26BrN3O3

>  <MolWeight> (1,420)
484.38554

>  <Item Name> (1,420)
Nicergoline

>  <Catalog Number> (1,420)
S4797

>  <Synonyms> (1,420)
N/A

>  <Target> (1,420)
Androgen Receptor

>  <Form> (1,420)
free base

>  <URL> (1,420)
http://www.selleckchem.com/products/nicergoline.html

>  <CAS Number> (1,420)
27848-84-6

$$$$
S3872 Guaiacol.cdx
csChFnd80/01151910432D

  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
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    0.0000    0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,421)
1421

>  <Formula> (1,421)
C7H8O2

>  <MolWeight> (1,421)
124.13722

>  <Item Name> (1,421)
Guaiacol

>  <Catalog Number> (1,421)
S3872

>  <Synonyms> (1,421)
o-methoxyphenol, 2-hydroxyanisole, O-methylcatechol

>  <Target> (1,421)
Others

>  <Form> (1,421)
free base

>  <URL> (1,421)
http://www.selleckchem.com/products/guaiacol.html

>  <CAS Number> (1,421)
90-05-1

$$$$
S3907 Bulleyaconi cine A.cdx
csChFnd80/01151910432D

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    4.4044    2.8878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,422)
1422

>  <Formula> (1,422)
C35H49NO9

>  <MolWeight> (1,422)
627.76486

>  <Item Name> (1,422)
Bulleyaconi cine A

>  <Catalog Number> (1,422)
S3907

>  <Synonyms> (1,422)
Bulleyaconitine A, Bulleyaconi cine A

>  <Target> (1,422)
Sodium channel

>  <Form> (1,422)
free base

>  <URL> (1,422)
http://www.selleckchem.com/products/bulleyaconi-cine-a.html

>  <CAS Number> (1,422)
107668-79-1

$$$$
S3923 Ginsenoside Rg1.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,423)
1423

>  <Formula> (1,423)
C42H72O14

>  <MolWeight> (1,423)
801.01268

>  <Item Name> (1,423)
Ginsenoside Rg1

>  <Catalog Number> (1,423)
S3923

>  <Synonyms> (1,423)
Ginsenoside A2, Panaxoside A, Panaxoside Rg1, Sanchinoside C1, Sanchinoside Rg1

>  <Target> (1,423)
Others

>  <Form> (1,423)
free base

>  <URL> (1,423)
http://www.selleckchem.com/products/ginsenoside-rg1.html

>  <CAS Number> (1,423)
22427-39-0

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/01151910432D

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   20.2307   16.8945    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   21.4761   16.2329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2399   18.2652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1717    1.2648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6380   16.8821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.4418   18.9717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.0372   18.9310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6209   18.2882    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.8085   16.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4658   20.3715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 25  1  1  0  0  0
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 29 32  1  0  0  0  0
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 31 36  1  0  0  0  0
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M  END
>  <Mol_ID> (1,424)
1424

>  <Formula> (1,424)
C54H92O23

>  <MolWeight> (1,424)
1109.29448

>  <Item Name> (1,424)
Ginsenoside Rb1

>  <Catalog Number> (1,424)
S3924

>  <Synonyms> (1,424)
Gypenoside ¢ó

>  <Target> (1,424)
Others

>  <Form> (1,424)
free base

>  <URL> (1,424)
http://www.selleckchem.com/products/ginsenoside-rb1.html

>  <CAS Number> (1,424)
41753-43-9

$$$$
S3850 Glucosamine sulfate.cdx
csChFnd80/01151910432D

 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
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    8.4870    6.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,425)
1425

>  <Formula> (1,425)
C6H15NO9S

>  <MolWeight> (1,425)
277.2496

>  <Item Name> (1,425)
Glucosamine sulfate

>  <Catalog Number> (1,425)
S3850

>  <Synonyms> (1,425)
D-Glucosaminesulfate, D-Glucosamine sulphate

>  <Target> (1,425)
Others

>  <Form> (1,425)
sulfate

>  <URL> (1,425)
http://www.selleckchem.com/products/glucosamine-sulfate.html

>  <CAS Number> (1,425)
29031-19-4

$$$$
S3851 Camphor.cdx
csChFnd80/01151910432D

 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> (1,426)
1426

>  <Formula> (1,426)
C10H16O

>  <MolWeight> (1,426)
152.23344

>  <Item Name> (1,426)
Camphor

>  <Catalog Number> (1,426)
S3851

>  <Synonyms> (1,426)
2-Bornanone, Bornan-2-one, 2-Camphanone, Formosa

>  <Target> (1,426)
Others

>  <Form> (1,426)
free base

>  <URL> (1,426)
http://www.selleckchem.com/products/camphor.html

>  <CAS Number> (1,426)
76-22-2

$$$$
S3854 Tetrahydropalmatine hydrochloride.cdx
csChFnd80/01151910432D

 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
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    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
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  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
  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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  8 11  1  0  0  0  0
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  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
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 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> (1,427)
1427

>  <Formula> (1,427)
C21H26ClNO4

>  <MolWeight> (1,427)
391.88844

>  <Item Name> (1,427)
Tetrahydropalmatine hydrochloride

>  <Catalog Number> (1,427)
S3854

>  <Synonyms> (1,427)
Gindarine hydrochloride, 1-Tetrahydropalmitine HCl

>  <Target> (1,427)
Others

>  <Form> (1,427)
hydrochloride

>  <URL> (1,427)
http://www.selleckchem.com/products/tetrahydropalmatine-hydrochloride.html

>  <CAS Number> (1,427)
6024-85-7

$$$$
S3897 (-)-Arctigenin.cdx
csChFnd80/01151910432D

 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
    1.9478    2.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2220    0.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7570    2.7657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9744    5.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5581    2.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8323    0.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3619    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  1  0  0  0
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>  <Mol_ID> (1,428)
1428

>  <Formula> (1,428)
C21H24O6

>  <MolWeight> (1,428)
372.41166

>  <Item Name> (1,428)
(-)-Arctigenin

>  <Catalog Number> (1,428)
S3897

>  <Synonyms> (1,428)
N/A

>  <Target> (1,428)
Others

>  <Form> (1,428)
free base

>  <URL> (1,428)
http://www.selleckchem.com/products/neg-rotation-arctigenin.html

>  <CAS Number> (1,428)
7770-78-7

$$$$
S3876 Indigo.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,429)
1429

>  <Formula> (1,429)
C16H10N2O2

>  <MolWeight> (1,429)
262.2628

>  <Item Name> (1,429)
Indigo

>  <Catalog Number> (1,429)
S3876

>  <Synonyms> (1,429)
Indigotin

>  <Target> (1,429)
Others

>  <Form> (1,429)
free base

>  <URL> (1,429)
http://www.selleckchem.com/products/indigo.html

>  <CAS Number> (1,429)
482-89-3

$$$$
S4779 Menadiol Diacetate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,430)
1430

>  <Formula> (1,430)
C15H14O4

>  <MolWeight> (1,430)
258.26926

>  <Item Name> (1,430)
Menadiol Diacetate

>  <Catalog Number> (1,430)
S4779

>  <Synonyms> (1,430)
Vitamin K4, Acetomenaphthone, Kapilin

>  <Target> (1,430)
Others

>  <Form> (1,430)
free base

>  <URL> (1,430)
http://www.selleckchem.com/products/menadiol-diacetate.html

>  <CAS Number> (1,430)
573-20-6

$$$$
S4769 L-5-Hydroxytryptophan.cdx
csChFnd80/01151910432D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,431)
1431

>  <Formula> (1,431)
C11H12N2O3

>  <MolWeight> (1,431)
220.22458

>  <Item Name> (1,431)
L-5-Hydroxytryptophan

>  <Catalog Number> (1,431)
S4769

>  <Synonyms> (1,431)
L-oxitriptan

>  <Target> (1,431)
Others

>  <Form> (1,431)
free base

>  <URL> (1,431)
http://www.selleckchem.com/products/l-5-hydroxytryptophan.html

>  <CAS Number> (1,431)
4350-09-8

$$$$
S4775 Cortodoxone.cdx
csChFnd80/01151910432D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,432)
1432

>  <Formula> (1,432)
C21H30O4

>  <MolWeight> (1,432)
346.4605

>  <Item Name> (1,432)
Cortodoxone

>  <Catalog Number> (1,432)
S4775

>  <Synonyms> (1,432)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (1,432)
Glucocorticoid Receptor

>  <Form> (1,432)
free base

>  <URL> (1,432)
http://www.selleckchem.com/products/cortodoxone.html

>  <CAS Number> (1,432)
152-58-9

$$$$
S3951 Tannic acid.cdx
csChFnd80/01151910432D

122132  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,433)
1433

>  <Formula> (1,433)
C76H52O46

>  <MolWeight> (1,433)
1701.19848

>  <Item Name> (1,433)
Tannic acid

>  <Catalog Number> (1,433)
S3951

>  <Synonyms> (1,433)
Gallotannic acid

>  <Target> (1,433)
CXCR4 

>  <Form> (1,433)
free base

>  <URL> (1,433)
http://www.selleckchem.com/products/tannic-acid.html

>  <CAS Number> (1,433)
1401-55-4

$$$$
S3980 Pyridoxine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,434)
1434

>  <Formula> (1,434)
C8H11NO3

>  <MolWeight> (1,434)
169.17784

>  <Item Name> (1,434)
Pyridoxine

>  <Catalog Number> (1,434)
S3980

>  <Synonyms> (1,434)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (1,434)
Others

>  <Form> (1,434)
free base

>  <URL> (1,434)
http://www.selleckchem.com/products/pyridoxine.html

>  <CAS Number> (1,434)
65-23-6

$$$$
CEFTIN (cefuroxime axetil).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,435)
1435

>  <Formula> (1,435)
C20H22N4O10S

>  <MolWeight> (1,435)
510.47448

>  <Item Name> (1,435)
Cefuroxime axetil

>  <Catalog Number> (1,435)
S4813

>  <Synonyms> (1,435)
N/A

>  <Target> (1,435)
Antifection

>  <Form> (1,435)
free base

>  <URL> (1,435)
http://www.selleckchem.com/products/cefuroxime-axetil.html

>  <CAS Number> (1,435)
64544-07-6

$$$$
S4844 Cefcapene Pivoxil Hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,436)
1436

>  <Formula> (1,436)
C23H32ClN5O9S2

>  <MolWeight> (1,436)
622.11128

>  <Item Name> (1,436)
Cefcapene Pivoxil Hydrochloride

>  <Catalog Number> (1,436)
S4844

>  <Synonyms> (1,436)
N/A

>  <Target> (1,436)
Others

>  <Form> (1,436)
hydrochloride, hydrate

>  <URL> (1,436)
http://www.selleckchem.com/products/cefcapene-pivoxil-hydrochloride.html

>  <CAS Number> (1,436)
147816-24-8

$$$$
S5005 Cefotiam hydrochloride.cdx
csChFnd80/01151910432D

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   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
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M  END
>  <Mol_ID> (1,437)
1437

>  <Formula> (1,437)
C18H25Cl2N9O4S3

>  <MolWeight> (1,437)
598.55

>  <Item Name> (1,437)
Cefotiam hydrochloride

>  <Catalog Number> (1,437)
S5005

>  <Synonyms> (1,437)
Cefotiam dihydrochloride, Halospor, Pansporin, Pansporine

>  <Target> (1,437)
Antifection

>  <Form> (1,437)
dihydrochloride

>  <URL> (1,437)
http://www.selleckchem.com/products/cefotiam-hydrochloride.html

>  <CAS Number> (1,437)
66309-69-1

$$$$
S5009 Brivudine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,438)
1438

>  <Formula> (1,438)
C11H13BrN2O5

>  <MolWeight> (1,438)
333.13532

>  <Item Name> (1,438)
Brivudine

>  <Catalog Number> (1,438)
S5009

>  <Synonyms> (1,438)
BVDU

>  <Target> (1,438)
Antifection

>  <Form> (1,438)
free base

>  <URL> (1,438)
http://www.selleckchem.com/products/brivudine.html

>  <CAS Number> (1,438)
69304-47-8

$$$$
S3987 L-Tryptophan.cdx
csChFnd80/01151910432D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,439)
1439

>  <Formula> (1,439)
C11H12N2O2

>  <MolWeight> (1,439)
204.22518

>  <Item Name> (1,439)
L-Tryptophan

>  <Catalog Number> (1,439)
S3987

>  <Synonyms> (1,439)
N/A

>  <Target> (1,439)
Others

>  <Form> (1,439)
free base

>  <URL> (1,439)
http://www.selleckchem.com/products/l-tryptophan.html

>  <CAS Number> (1,439)
73-22-3

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/01151910432D

 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
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    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
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  1  2  2  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
  3  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,440)
1440

>  <Formula> (1,440)
C9H10N4O4

>  <MolWeight> (1,440)
238.2001

>  <Item Name> (1,440)
Theophylline-7-acetic acid

>  <Catalog Number> (1,440)
S3988

>  <Synonyms> (1,440)
Acefylline, acetyloxytheophylline, Carboxymethyltheophylline

>  <Target> (1,440)
adenosine receptor

>  <Form> (1,440)
free base

>  <URL> (1,440)
http://www.selleckchem.com/products/theophylline-7-acetic.html

>  <CAS Number> (1,440)
652-37-9

$$$$
S3990 Trans-Anethole.cdx
csChFnd80/01151910432D

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    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
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    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
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  1  2  1  0  0  0  0
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  6  8  2  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,441)
1441

>  <Formula> (1,441)
C10H12O

>  <MolWeight> (1,441)
148.20168

>  <Item Name> (1,441)
Trans-Anethole

>  <Catalog Number> (1,441)
S3990

>  <Synonyms> (1,441)
4-Propenylanisole

>  <Target> (1,441)
Others

>  <Form> (1,441)
free base

>  <URL> (1,441)
http://www.selleckchem.com/products/trans-tnethole.html

>  <CAS Number> (1,441)
4180-23-8

$$$$
S3996 Thioctic acid.cdx
csChFnd80/01151910432D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.2085    1.6794    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.4206    2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6633    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6374    1.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8472    2.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0605    1.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2721    2.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4839    1.6745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2721    3.7742    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
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  5  6  1  0  0  0  0
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  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,442)
1442

>  <Formula> (1,442)
C8H14O2S2

>  <MolWeight> (1,442)
206.32556

>  <Item Name> (1,442)
Thioctic acid

>  <Catalog Number> (1,442)
S3996

>  <Synonyms> (1,442)
DL-¦Á-Lipoic Acid

>  <Target> (1,442)
Others

>  <Form> (1,442)
free base

>  <URL> (1,442)
http://www.selleckchem.com/products/thioctic-acid.html

>  <CAS Number> (1,442)
1077-28-7

$$$$
S3997 Oxaceprol.cdx
csChFnd80/01151910432D

 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
    1.4980    2.1016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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  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  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  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> (1,443)
1443

>  <Formula> (1,443)
C7H11NO4

>  <MolWeight> (1,443)
173.16654

>  <Item Name> (1,443)
Oxaceprol

>  <Catalog Number> (1,443)
S3997

>  <Synonyms> (1,443)
N-acetyl-L-hydroxyproline

>  <Target> (1,443)
Others

>  <Form> (1,443)
free base

>  <URL> (1,443)
http://www.selleckchem.com/products/oxaceprol.html

>  <CAS Number> (1,443)
33996-33-7

$$$$
S3998 Lipoic acid.cdx
csChFnd80/01151910432D

 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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  9 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  3 10  1  1  0  0  0
M  END
>  <Mol_ID> (1,444)
1444

>  <Formula> (1,444)
C8H14O2S2

>  <MolWeight> (1,444)
206.32556

>  <Item Name> (1,444)
(+)-¦Á-Lipoic acid

>  <Catalog Number> (1,444)
S3998

>  <Synonyms> (1,444)
(R)-(+)-¦Á-Lipoic acid, ¦Á-Lipoic acid, Alpha-Lipoic acid

>  <Target> (1,444)
Others

>  <Form> (1,444)
free base

>  <URL> (1,444)
http://www.selleckchem.com/products/alpha-lipoic-acid.html

>  <CAS Number> (1,444)
1200-22-2

$$$$
S4812 Ceftizoxime.cdx
csChFnd80/01151910432D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.9527    2.7402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3991    2.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3991    4.1455    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.4293    7.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0358    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0669    5.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7407    7.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4092    5.1354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 15  4  1  0  0  0  0
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 13  5  2  0  0  0  0
 12  6  1  0  0  0  0
 16  6  2  0  0  0  0
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 17  7  2  0  0  0  0
 11  8  2  0  0  0  0
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 24 17  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,445)
1445

>  <Formula> (1,445)
C13H13N5O5S2

>  <MolWeight> (1,445)
383.40282

>  <Item Name> (1,445)
Ceftizoxime

>  <Catalog Number> (1,445)
S4812

>  <Synonyms> (1,445)
N/A

>  <Target> (1,445)
Others

>  <Form> (1,445)
free base

>  <URL> (1,445)
http://www.selleckchem.com/products/ceftizoxime.html

>  <CAS Number> (1,445)
68401-81-0

$$$$
S4817 Atenolol.cdx
csChFnd80/01151910432D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8540    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,446)
1446

>  <Formula> (1,446)
C14H22N2O3

>  <MolWeight> (1,446)
266.33608

>  <Item Name> (1,446)
Atenolol

>  <Catalog Number> (1,446)
S4817

>  <Synonyms> (1,446)
Tenormin, Normiten, Blokium

>  <Target> (1,446)
¦Â1 receptor,¦Â2 receptor

>  <Form> (1,446)
free base

>  <URL> (1,446)
http://www.selleckchem.com/products/atenolol.html

>  <CAS Number> (1,446)
29122-68-7

$$$$
S4854 Bedaquiline fumarate.cdx
csChFnd80/01151910432D

 45 48  0  0  0  0  0  0  0  0999 V2000
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csChFnd80/01151910432D

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csChFnd80/01151910432D

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357336-20-0

$$$$
S4935 Asunaprevir.cdx
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hepatitis C virus enzyme serine protease NS

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630420-16-5

$$$$
S5007 Delamanid.cdx
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>  <Target> (1,451)
Others

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free base

>  <URL> (1,451)
http://www.selleckchem.com/products/delamanid.html

>  <CAS Number> (1,451)
681492-22-8

$$$$
S5015 Simeprevir.cdx
csChFnd80/01151910432D

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TMC-435, TMC-435350

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TMC-435, TMC-435350

>  <Target> (1,452)
HCV NS3/4A protease

>  <Form> (1,452)
free base

>  <URL> (1,452)
http://www.selleckchem.com/products/simeprevir.html

>  <CAS Number> (1,452)
923604-59-5

$$$$
S4980 Anamorelin.cdx
csChFnd80/01151910432D

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>  <Target> (1,453)
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>  <Form> (1,453)
free base

>  <URL> (1,453)
http://selleckchem.com/products/anamorelin.html

>  <CAS Number> (1,453)
249921-19-5

$$$$
S3074 Chlortalidone.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,454)
1454

>  <Formula> (1,454)
C14H11ClN2O4S

>  <MolWeight> (1,454)
338.76614

>  <Item Name> (1,454)
Chlorthalidone

>  <Catalog Number> (1,454)
S3074

>  <Synonyms> (1,454)
Chlortalidone

>  <Target> (1,454)
Others

>  <Form> (1,454)
free base

>  <URL> (1,454)
http://selleckchem.com/products/chlorthalidone-chlortalidone.html

>  <CAS Number> (1,454)
77-36-1

$$$$
S4896 Elagolix Sodium.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,455)
1455

>  <Formula> (1,455)
C32H29F5N3NaO5

>  <MolWeight> (1,455)
653.571546

>  <Item Name> (1,455)
Elagolix Sodium

>  <Catalog Number> (1,455)
S4896

>  <Synonyms> (1,455)
NBI-56418, ABT-620

>  <Target> (1,455)
Estrogen/progestogen Receptor

>  <URL> (1,455)
http://selleckchem.com/products/elagolix-sodium.html

>  <CAS Number> (1,455)
832720-36-2

$$$$
S5023 Nadolol.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,456)
1456

>  <Formula> (1,456)
C17H27NO4

>  <MolWeight> (1,456)
309.40058

>  <Item Name> (1,456)
Nadolol

>  <Catalog Number> (1,456)
S5023

>  <Synonyms> (1,456)
Corgard, Solgol, Anabet

>  <Target> (1,456)
Androgen Receptor

>  <Form> (1,456)
free base

>  <URL> (1,456)
http://selleckchem.com/products/nadolol.html

>  <CAS Number> (1,456)
42200-33-9

$$$$
S3776 Sophoricoside.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,457)
1457

>  <Formula> (1,457)
C21H20O10

>  <MolWeight> (1,457)
432.3775

>  <Item Name> (1,457)
Sophoricoside

>  <Catalog Number> (1,457)
S3776

>  <Synonyms> (1,457)
N/A

>  <Target> (1,457)
Immunology & Inflammation related

>  <URL> (1,457)
http://selleckchem.com/products/sophoricoside.html

>  <CAS Number> (1,457)
152-95-4

$$$$
S4834 Propantheline bromide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,458)
1458

>  <Formula> (1,458)
C23H30BrNO3

>  <MolWeight> (1,458)
448.3932

>  <Item Name> (1,458)
Propantheline bromide

>  <Catalog Number> (1,458)
S4834

>  <Synonyms> (1,458)
Pro-Banthine, Neometantyl, Neopepulsan

>  <Target> (1,458)
AChR

>  <Form> (1,458)
bromide 

>  <URL> (1,458)
http://selleckchem.com/products/propantheline-bromide.html

>  <CAS Number> (1,458)
50-34-0

$$$$
S4877 Eperisone hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,459)
1459

>  <Formula> (1,459)
C17H26ClNO

>  <MolWeight> (1,459)
295.84744

>  <Item Name> (1,459)
Eperisone hydrochloride

>  <Catalog Number> (1,459)
S4877

>  <Synonyms> (1,459)
N/A

>  <Target> (1,459)
Others

>  <Form> (1,459)
hydrochloride 

>  <URL> (1,459)
http://selleckchem.com/products/eperisone-hydrochloride.html

>  <CAS Number> (1,459)
56839-43-1

$$$$
S4878 Neticonazole Hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,460)
1460

>  <Formula> (1,460)
C17H23ClN2OS

>  <MolWeight> (1,460)
338.89532

>  <Item Name> (1,460)
Neticonazole Hydrochloride

>  <Catalog Number> (1,460)
S4878

>  <Synonyms> (1,460)
N/A

>  <Target> (1,460)
Anti-infection

>  <Form> (1,460)
hydrochloride 

>  <URL> (1,460)
http://selleckchem.com/products/neticonazole-hydrochloride.html

>  <CAS Number> (1,460)
130773-02-3

$$$$
S4991 Valpromide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,461)
1461

>  <Formula> (1,461)
C8H17NO

>  <MolWeight> (1,461)
143.22668

>  <Item Name> (1,461)
Valpromide

>  <Catalog Number> (1,461)
S4991

>  <Synonyms> (1,461)
Depamide, Dipropylacetamide, 2-propylpentanamide

>  <Target> (1,461)
Others

>  <Form> (1,461)
free base

>  <URL> (1,461)
http://selleckchem.com/products/valpromide.html

>  <CAS Number> (1,461)
2430-27-5

$$$$
S4836 Nilutamide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,462)
1462

>  <Formula> (1,462)
C12H10F3N3O4

>  <MolWeight> (1,462)
317.2207096

>  <Item Name> (1,462)
Nilutamide

>  <Catalog Number> (1,462)
S4836

>  <Synonyms> (1,462)
RU23908

>  <Target> (1,462)
Androgen Receptor

>  <URL> (1,462)
http://selleckchem.com/products/nilutamide.html

>  <CAS Number> (1,462)
63612-50-0

$$$$
S4837 Ibudilast.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,463)
1463

>  <Formula> (1,463)
C14H18N2O

>  <MolWeight> (1,463)
230.30552

>  <Item Name> (1,463)
Ibudilast

>  <Catalog Number> (1,463)
S4837

>  <Synonyms> (1,463)
KC-404, AV411, MN166

>  <Target> (1,463)
PDE

>  <Form> (1,463)
free base

>  <URL> (1,463)
http://selleckchem.com/products/Ibudilast.html

>  <CAS Number> (1,463)
50847-11-5

$$$$
S4848 Dalbavancin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,464)
1464

>  <Formula> (1,464)
C88H100Cl2N10O28

>  <MolWeight> (1,464)
1816.6918

>  <Item Name> (1,464)
Dalbavancin

>  <Catalog Number> (1,464)
S4848

>  <Synonyms> (1,464)
zeven

>  <Target> (1,464)
Anti-infection

>  <Form> (1,464)
free base

>  <URL> (1,464)
http://selleckchem.com/products/dalbavancin.html

>  <CAS Number> (1,464)
171500-79-1

$$$$
S4852 Gadopentetate Dimeglumine.cdx
csChFnd80/01151910432D

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    2.2242    6.0787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5401    4.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8793    5.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6902    8.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3087    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.5212    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0963    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.3087    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5212    3.5000    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  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
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 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 19 24  2  0  0  0  0
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 21 27  1  0  0  0  0
 23 28  1  0  0  0  0
 25 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 28 33  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 32  1  0  0  0  0
 31 34  1  0  0  0  0
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 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  2  0  0  0  0
 37 40  1  0  0  0  0
 37 41  2  0  0  0  0
 42 43  1  0  0  0  0
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 42 45  1  6  0  0  0
 43 46  1  0  0  0  0
 43 47  1  6  0  0  0
 44 48  1  0  0  0  0
 44 49  1  6  0  0  0
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 46 51  1  1  0  0  0
 48 52  1  0  0  0  0
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M  END
>  <Mol_ID> (1,465)
1465

>  <Formula> (1,465)
C28H54GdN5O20

>  <MolWeight> (1,465)
937.99986

>  <Item Name> (1,465)
Gadopentetate Dimeglumine

>  <Catalog Number> (1,465)
S4852

>  <Synonyms> (1,465)
Gadopentetic acid dimeglumine, Gd-DTPA, Meglumine gadopentetate

>  <Target> (1,465)
Others

>  <Form> (1,465)
dimeglumine salt

>  <URL> (1,465)
http://selleckchem.com/products/gadopentetate-dimeglumine.html

>  <CAS Number> (1,465)
86050-77-3

$$$$
S4931 Propiverine hydrochloride.cdx
csChFnd80/01151910432D

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    7.3099    3.9747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223    4.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6099    5.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0975    3.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0099    2.7622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7058    3.9914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5223    6.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3056    6.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2086    5.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8850    3.9747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0975    1.8747    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  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  2  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  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
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 13 19  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 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
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,466)
1466

>  <Formula> (1,466)
C23H30ClNO3

>  <MolWeight> (1,466)
403.9422

>  <Item Name> (1,466)
Propiverine hydrochloride

>  <Catalog Number> (1,466)
S4931

>  <Synonyms> (1,466)
N/A

>  <Target> (1,466)
Others

>  <URL> (1,466)
http://selleckchem.com/products/propiverine-hydrochloride.html

>  <CAS Number> (1,466)
54556-98-8

$$$$
S4932 Proxyphylline.cdx
csChFnd80/01151910432D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6401    3.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    3.9565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    4.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455    1.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910    1.6915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7905    2.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.4705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7265    5.6013    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.7164    4.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0888    6.9536    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  1  0  0  0  0
M  END
>  <Mol_ID> (1,467)
1467

>  <Formula> (1,467)
C10H14N4O3

>  <MolWeight> (1,467)
238.24316

>  <Item Name> (1,467)
Proxyphylline

>  <Catalog Number> (1,467)
S4932

>  <Synonyms> (1,467)
Monophylline, Spasmolysin

>  <Target> (1,467)
Adenosine Receptor

>  <Form> (1,467)
free base

>  <URL> (1,467)
http://selleckchem.com/products/proxyphylline.html

>  <CAS Number> (1,467)
603-00-9

$$$$
S5006 Teprenone.cdx
csChFnd80/01151910432D

 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
   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 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
   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
   14.5492    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
   15.7617    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
    6.0622    2.1000    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
   15.7617    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
   18.1865    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
   19.3990    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
   20.6114    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
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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
  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  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  2  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
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,468)
1468

>  <Formula> (1,468)
C23H38O

>  <MolWeight> (1,468)
330.54722

>  <Item Name> (1,468)
Teprenone

>  <Catalog Number> (1,468)
S5006

>  <Synonyms> (1,468)
geranylgeranylacetone, Tetraprenylacetone

>  <Target> (1,468)
Others

>  <URL> (1,468)
http://selleckchem.com/products/teprenone.html

>  <CAS Number> (1,468)
6809-52-5

$$$$
S5012 Octenidine Dihydrochloride.cdx
csChFnd80/01151910432D

 42 41  0  0  0  0  0  0  0  0999 V2000
   12.6204    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6204    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4079    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8328    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    7.7706    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6825    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7706    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8950    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5582    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1074    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (1,469)
C36H64Cl2N4

>  <MolWeight> (1,469)
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>  <Item Name> (1,469)
Octenidine Dihydrochloride

>  <Catalog Number> (1,469)
S5012

>  <Synonyms> (1,469)
N/A

>  <Target> (1,469)
Anti-infection

>  <URL> (1,469)
http://selleckchem.com/products/octenidine-ihydrochloride.html

>  <CAS Number> (1,469)
70775-75-6

$$$$
S5013 Ioversol.cdx
csChFnd80/01151910432D

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>  <Formula> (1,470)
C18H24I3N3O9

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Ioversol

>  <Catalog Number> (1,470)
S5013

>  <Synonyms> (1,470)
N/A

>  <Target> (1,470)
Others

>  <URL> (1,470)
http://selleckchem.com/products/lversol.html

>  <CAS Number> (1,470)
87771-40-2

$$$$
S5014 Crisaborole (AN2728).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,471)
1471

>  <Formula> (1,471)
C14H10BNO3

>  <MolWeight> (1,471)
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Crisaborole (AN2728)

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S5014

>  <Synonyms> (1,471)
N/A

>  <Target> (1,471)
PDE

>  <Form> (1,471)
free base

>  <URL> (1,471)
http://selleckchem.com/products/crisaborole-an2728.html

>  <CAS Number> (1,471)
906673-24-3

$$$$
S4849 Levocetirizine Dihydrochloride.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,472)
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>  <Formula> (1,472)
C21H27Cl3N2O3

>  <MolWeight> (1,472)
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>  <Item Name> (1,472)
Levocetirizine Dihydrochloride

>  <Catalog Number> (1,472)
S4849

>  <Synonyms> (1,472)
Xyzal Dihydrochloride, (-)-Cetirizine Dihydrochloride

>  <Target> (1,472)
Histamine Receptor

>  <Form> (1,472)
dihydrochloride 

>  <URL> (1,472)
http://selleckchem.com/products/levocetirizine-dihydrochloride.html

>  <CAS Number> (1,472)
130018-87-0

$$$$
S4876 Robenidine Hydrochoride.cdx
csChFnd80/01151910432D

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  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 11 13  2  0  0  0  0
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 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> (1,473)
1473

>  <Formula> (1,473)
C15H14Cl3N5

>  <MolWeight> (1,473)
370.66416

>  <Item Name> (1,473)
Robenidine Hydrochoride

>  <Catalog Number> (1,473)
S4876

>  <Synonyms> (1,473)
Dexium, Nugatex, Rasexinium, Toraxine

>  <Target> (1,473)
Anti-infection

>  <Form> (1,473)
hydrochloride 

>  <URL> (1,473)
http://selleckchem.com/products/robenidine-hydrochoride.html

>  <CAS Number> (1,473)
25875-50-7

$$$$
S4940 Maltol.cdx
csChFnd80/01151910432D

  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> (1,474)
1474

>  <Formula> (1,474)
C6H6O3

>  <MolWeight> (1,474)
126.11004

>  <Item Name> (1,474)
Maltol

>  <Catalog Number> (1,474)
S4940

>  <Synonyms> (1,474)
Larixinic acid, Palatone, Veltol

>  <Target> (1,474)
Others

>  <URL> (1,474)
http://selleckchem.com/products/maltol.html

>  <CAS Number> (1,474)
118-71-8

$$$$
S4952 Fumaric acid.cdx
csChFnd80/01151910432D

  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> (1,475)
1475

>  <Formula> (1,475)
C4H4O4

>  <MolWeight> (1,475)
116.07216

>  <Item Name> (1,475)
Fumaric acid

>  <Catalog Number> (1,475)
S4952

>  <Synonyms> (1,475)
2-Butenedioic acid, Trans-Butenedioic acid, Allomaleic acid, Boletic acid, Donitic acid, Lichenic aci

>  <Target> (1,475)
Others

>  <Form> (1,475)
free base

>  <URL> (1,475)
http://selleckchem.com/products/fumaric-acid.html

>  <CAS Number> (1,475)
110-17-8

$$$$
S2501 Pyrantel pamoate.cdx
csChFnd80/01151910432D

 43 47  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    9.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4927    0.0000 C   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
    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    9.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.7176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   10.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1903    0.0000 O   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
    7.2662    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8649    5.6348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8711    4.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6629    3.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440    4.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4401    5.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6506    6.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6629    2.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0793    3.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2896    4.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4968    3.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7761    4.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7129    3.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0129    1.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6435    2.1512    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  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
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
 13 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
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  8 25  1  0  0  0  0
 17 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 30 31  2  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 30  1  0  0  0  0
 32 36  1  0  0  0  0
 31 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 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 39  1  0  0  0  0
M  END
>  <Mol_ID> (1,476)
1476

>  <Formula> (1,476)
C34H30N2O6S

>  <MolWeight> (1,476)
594.6768

>  <Item Name> (1,476)
Pyrantel Pamoate 

>  <Catalog Number> (1,476)
S2501

>  <Synonyms> (1,476)
Pyrantel Embonate

>  <Target> (1,476)
Anti-infection

>  <Form> (1,476)
salt

>  <URL> (1,476)
http://selleckchem.com/products/Pyrantel-pamoate(Pyrantel-embonate).html

>  <CAS Number> (1,476)
22204-24-6

$$$$
S4815 L-Cysteine HCL.cdx
csChFnd80/01151910432D

  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> (1,477)
1477

>  <Formula> (1,477)
C3H8ClNO2S

>  <MolWeight> (1,477)
157.61912

>  <Item Name> (1,477)
L-Cysteine HCl

>  <Catalog Number> (1,477)
S4815

>  <Synonyms> (1,477)
N/A

>  <Target> (1,477)
Others

>  <Form> (1,477)
hydrochloride 

>  <URL> (1,477)
http://selleckchem.com/products/l-cysteine-hcl.html

>  <CAS Number> (1,477)
52-89-1

$$$$
S4816 Diatrizoate sodium.cdx
csChFnd80/01151910432D

 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
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    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
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 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> (1,478)
1478

>  <Formula> (1,478)
C11H8I3N2NaO4

>  <MolWeight> (1,478)
635.8954

>  <Item Name> (1,478)
Diatrizoate sodium

>  <Catalog Number> (1,478)
S4816

>  <Synonyms> (1,478)
amidotrizoate sodium, Hypaque sodium, Triombrin

>  <Target> (1,478)
Others

>  <URL> (1,478)
http://selleckchem.com/products/diatrizoate-sodium.html

>  <CAS Number> (1,478)
737-31-5

$$$$
S4819 Saccharin.cdx
csChFnd80/01151910432D

 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> (1,479)
1479

>  <Formula> (1,479)
C7H5NO3S

>  <MolWeight> (1,479)
183.1845

>  <Item Name> (1,479)
Saccharin

>  <Catalog Number> (1,479)
S4819

>  <Synonyms> (1,479)
Benzoic sulfimide, O-Sulfobenzimide, O-Benzoic sulfimide, Saccharimide

>  <Target> (1,479)
Others

>  <Form> (1,479)
free base

>  <URL> (1,479)
http://selleckchem.com/products/saccharin.html

>  <CAS Number> (1,479)
81-07-2

$$$$
S4830 Maltose.cdx
csChFnd80/01151910432D

 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
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    2.3092    0.0000    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
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  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
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  6 11  1  0  0  0  0
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  7 11  1  0  0  0  0
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M  END
>  <Mol_ID> (1,480)
1480

>  <Formula> (1,480)
C12H22O11

>  <MolWeight> (1,480)
342.29648

>  <Item Name> (1,480)
Maltose

>  <Catalog Number> (1,480)
S4830

>  <Synonyms> (1,480)
maltobiose, malt sugar, Beta-maltose, D-Maltose

>  <Target> (1,480)
Others

>  <Form> (1,480)
free base

>  <URL> (1,480)
http://selleckchem.com/products/maltose.html

>  <CAS Number> (1,480)
 69-79-4

$$$$
S4831 Piperonyl butoxide.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (1,481)
1481

>  <Formula> (1,481)
C19H30O5

>  <MolWeight> (1,481)
338.4385

>  <Item Name> (1,481)
Piperonyl butoxide

>  <Catalog Number> (1,481)
S4831

>  <Synonyms> (1,481)
Butacide, Ethanol butoxide, Pyrenone 606

>  <Target> (1,481)
Others

>  <URL> (1,481)
http://selleckchem.com/products/piperonyl-butoxide.html

>  <CAS Number> (1,481)
51-03-6

$$$$
S4832 Tolmetin.cdx
csChFnd80/01151910432D

 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
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    2.0281    2.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 18  2  0  0  0  0
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M  END
>  <Mol_ID> (1,482)
1482

>  <Formula> (1,482)
C15H15NO3

>  <MolWeight> (1,482)
257.2845

>  <Item Name> (1,482)
Tolmetin

>  <Catalog Number> (1,482)
S4832

>  <Synonyms> (1,482)
Tolectin

>  <Target> (1,482)
Immunology & Inflammation related

>  <Form> (1,482)
free base

>  <URL> (1,482)
http://selleckchem.com/products/tolmetin.html

>  <CAS Number> (1,482)
26171-23-3

$$$$
S4835 Aceclofenac.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (1,483)
1483

>  <Formula> (1,483)
C16H13Cl2NO4

>  <MolWeight> (1,483)
354.18472

>  <Item Name> (1,483)
Aceclofenac

>  <Catalog Number> (1,483)
S4835

>  <Synonyms> (1,483)
Preservex, Airtal

>  <Target> (1,483)
Immunology & Inflammation related

>  <Form> (1,483)
free base

>  <URL> (1,483)
http://selleckchem.com/products/aceclofenac.html

>  <CAS Number> (1,483)
89796-99-6

$$$$
S4839 Mosapride.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (1,484)
1484

>  <Formula> (1,484)
C21H25ClFN3O3

>  <MolWeight> (1,484)
421.8929032

>  <Item Name> (1,484)
Mosapride

>  <Catalog Number> (1,484)
S4839

>  <Synonyms> (1,484)
N/A

>  <Target> (1,484)
5-HT Receptor

>  <URL> (1,484)
http://selleckchem.com/products/mosapride.html

>  <CAS Number> (1,484)
112885-41-3

$$$$
S4887 Nikethamide.cdx
csChFnd80/01151910432D

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  9 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,485)
1485

>  <Formula> (1,485)
C10H14N2O

>  <MolWeight> (1,485)
178.23096

>  <Item Name> (1,485)
Nikethamide

>  <Catalog Number> (1,485)
S4887

>  <Synonyms> (1,485)
Corvin, Anacardone

>  <Target> (1,485)
Others

>  <Form> (1,485)
free base

>  <URL> (1,485)
http://selleckchem.com/products/nikethamide.html

>  <CAS Number> (1,485)
59-26-7

$$$$
S4894 D-Glucurone.cdx
csChFnd80/01151910432D

 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
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    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
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M  CFW   6 BOND_GSTEREO 4
M  END
>  <Mol_ID> (1,486)
1486

>  <Formula> (1,486)
C6H8O6

>  <MolWeight> (1,486)
176.12412

>  <Item Name> (1,486)
D-Glucurone

>  <Catalog Number> (1,486)
S4894

>  <Synonyms> (1,486)
N/A

>  <Target> (1,486)
Others

>  <Form> (1,486)
free base

>  <URL> (1,486)
http://selleckchem.com/products/d-glucurone.html

>  <CAS Number> (1,486)
32449-92-6

$$$$
S4897 Nortropine Hydrochloride.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (1,487)
1487

>  <Formula> (1,487)
C7H14ClNO

>  <MolWeight> (1,487)
163.64516

>  <Item Name> (1,487)
Nortropine Hydrochloride

>  <Catalog Number> (1,487)
S4897

>  <Synonyms> (1,487)
Nortropeno Hydrochloride

>  <Target> (1,487)
Others

>  <Form> (1,487)
hydrochloride

>  <URL> (1,487)
http://selleckchem.com/products/nortropine-hydrochloride.html

>  <CAS Number> (1,487)
14383-51-8

$$$$
S4898 Sulfalozine sodium.cdx
csChFnd80/01151910432D

 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
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  3  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,488)
1488

>  <Formula> (1,488)
C10H9ClN4O2S

>  <MolWeight> (1,488)
284.72206

>  <Item Name> (1,488)
Sulfalozine sodium

>  <Catalog Number> (1,488)
S4898

>  <Synonyms> (1,488)
sulfaclozine sodium, sulfachlopryrazine sodium

>  <Target> (1,488)
Anti-infection

>  <Form> (1,488)
free base

>  <URL> (1,488)
http://selleckchem.com/products/sulfalozine-sodium.html

>  <CAS Number> (1,488)
102-65-8

$$$$
S4899 Sulfogaiacol.cdx
csChFnd80/01151910432D

 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
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    5.6034    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,489)
1489

>  <Formula> (1,489)
C7H7KO5S

>  <MolWeight> (1,489)
242.29078

>  <Item Name> (1,489)
Sulfogaiacol

>  <Catalog Number> (1,489)
S4899

>  <Synonyms> (1,489)
guaiacolsulfonate

>  <Target> (1,489)
Others

>  <URL> (1,489)
http://selleckchem.com/products/sulfogaiacol.html

>  <CAS Number> (1,489)
1321-14-8

$$$$
S4975 Fimasartan.cdx
csChFnd80/01151910432D

 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
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 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,490)
1490

>  <Formula> (1,490)
C27H31N7OS

>  <MolWeight> (1,490)
501.64634

>  <Item Name> (1,490)
Fimasartan

>  <Catalog Number> (1,490)
S4975

>  <Synonyms> (1,490)
Kanarb

>  <Target> (1,490)
RAAS

>  <Form> (1,490)
free base

>  <URL> (1,490)
http://selleckchem.com/products/fimasartan.html

>  <CAS Number> (1,490)
247257-48-3

$$$$
S4977 Efonidipine.cdx
csChFnd80/01151910432D

 45 49  0  0  0  0  0  0  0  0999 V2000
   12.3119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5244    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    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> (1,491)
1491

>  <Formula> (1,491)
C34H38N3O7P

>  <MolWeight> (1,491)
631.655181

>  <Item Name> (1,491)
Efonidipine

>  <Catalog Number> (1,491)
S4977

>  <Synonyms> (1,491)
NZ-105

>  <Target> (1,491)
Calcium Channel

>  <Form> (1,491)
free base

>  <URL> (1,491)
http://selleckchem.com/products/efonidipine.html

>  <CAS Number> (1,491)
111011-63-3

$$$$
S5017 Oxyclozanide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,492)
1492

>  <Formula> (1,492)
C13H6Cl5NO3

>  <MolWeight> (1,492)
401.45664

>  <Item Name> (1,492)
Oxyclozanide

>  <Catalog Number> (1,492)
S5017

>  <Synonyms> (1,492)
Oxiclozanidum, Zanil, Oxyclozanid, Zanilox

>  <Target> (1,492)
Anti-infection

>  <Form> (1,492)
free base

>  <URL> (1,492)
http://selleckchem.com/products/oxyclozanide.html

>  <CAS Number> (1,492)
2277-92-1

$$$$
S4847 Faropenem Sodium.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,493)
1493

>  <Formula> (1,493)
C12H14NNaO5S

>  <MolWeight> (1,493)
307.29803

>  <Item Name> (1,493)
Faropenem Sodium

>  <Catalog Number> (1,493)
S4847

>  <Synonyms> (1,493)
N/A

>  <Target> (1,493)
Anti-infection

>  <URL> (1,493)
http://selleckchem.com/products/faropenem-sodium.html

>  <CAS Number> (1,493)
122547-49-3

$$$$
QUTENZA (capsaicin).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,494)
1494

>  <Formula> (1,494)
C18H27NO3

>  <MolWeight> (1,494)
305.41188

>  <Item Name> (1,494)
Capsaicin

>  <Catalog Number> (1,494)
S1990

>  <Synonyms> (1,494)
Qutenza, Vanilloid

>  <Target> (1,494)
Others

>  <URL> (1,494)
http://www.selleckchem.com/products/Capsaicin(Qutenza).html

>  <CAS Number> (1,494)
404-86-4

$$$$
S4866 Nicarbazin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,495)
1495

>  <Formula> (1,495)
C19H18N6O6

>  <MolWeight> (1,495)
426.38282

>  <Item Name> (1,495)
Nicarbazin

>  <Catalog Number> (1,495)
S4866

>  <Synonyms> (1,495)
N/A

>  <Target> (1,495)
Anti-infection

>  <Form> (1,495)
salt

>  <URL> (1,495)
http://selleckchem.com/products/nicarbazin.html

>  <CAS Number> (1,495)
330-95-0

$$$$
S4976 Sulfalene(SMPZ).cdx
csChFnd80/01151910432D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6195    7.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    5.6116    0.0000 S   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> (1,496)
1496

>  <Formula> (1,496)
C11H12N4O3S

>  <MolWeight> (1,496)
280.30298

>  <Item Name> (1,496)
Sulfalene(SMPZ)

>  <Catalog Number> (1,496)
S4976

>  <Synonyms> (1,496)
Butadiene sulfone, 3-Sulfolene

>  <Target> (1,496)
Others

>  <Form> (1,496)
free base

>  <URL> (1,496)
http://selleckchem.com/products/sulfalene-smpz.html

>  <CAS Number> (1,496)
152-47-6

$$$$
S5016 Isoprinosine.cdx
csChFnd80/01151910432D

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    2.8936    5.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2241    6.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2241    7.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4620    4.4015    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8917    7.9986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2858    3.2701    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0698    6.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1314    3.9678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   31.9794    7.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.3211    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1087    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1087    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.5335    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> (1,497)
1497

>  <Formula> (1,497)
C52H78N10O17

>  <MolWeight> (1,497)
1115.23252

>  <Item Name> (1,497)
Isoprinosine

>  <Catalog Number> (1,497)
S5016

>  <Synonyms> (1,497)
inosine pranobex, Immunovir, Groprinosin, Delimmun

>  <Target> (1,497)
Anti-infection,Immunology & Inflammation rel

>  <Form> (1,497)
salt

>  <URL> (1,497)
http://selleckchem.com/products/isoprinosine.html

>  <CAS Number> (1,497)
36703-88-5

$$$$
Sodium valproate.cdx
csChFnd80/01151910432D

 11 10  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
    1.2124    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    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
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Na  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
    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
    4.8497    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
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  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
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  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,498)
1498

>  <Formula> (1,498)
C8H15NaO2

>  <MolWeight> (1,498)
166.19327

>  <Item Name> (1,498)
Valproic acid sodium salt (Sodium valproate)

>  <Catalog Number> (1,498)
S1168

>  <Synonyms> (1,498)
N/A 

>  <Target> (1,498)
GABA Receptor, HDAC

>  <URL> (1,498)
http://www.selleckchem.com/products/Sodium-valproate.html

>  <CAS Number> (1,498)
1069-66-5, 99-66-1 (FREE BASE)

$$$$
S4623 5,5-Dimethyloxazolidine-2,4-dione.cdx
csChFnd80/01151910432D

  9  9  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
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    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
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
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  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,499)
1499

>  <Formula> (1,499)
C5H7NO3

>  <MolWeight> (1,499)
129.11398

>  <Item Name> (1,499)
5,5-Dimethyloxazolidine-2,4-dione

>  <Catalog Number> (1,499)
S4624

>  <Synonyms> (1,499)
Dimethadione, Dimethyloxazolidinedione, Dimethadion

>  <Target> (1,499)
Others

>  <Form> (1,499)
free base

>  <URL> (1,499)
http://selleckchem.com/products/5-5-dimethyloxazolidine-2-4-dione.html

>  <CAS Number> (1,499)
695-53-4

$$$$
S3971 Fusidine.cdx
csChFnd80/01151910432D

 40 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
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M  END
>  <Mol_ID> (1,500)
1500

>  <Formula> (1,500)
C31H48O6

>  <MolWeight> (1,500)
516.70922

>  <Item Name> (1,500)
Fusidine

>  <Catalog Number> (1,500)
S3971

>  <Synonyms> (1,500)
Fusidic Acid

>  <Target> (1,500)
Anti-infection

>  <Form> (1,500)
free base

>  <URL> (1,500)
http://selleckchem.com/products/fusidine.html

>  <CAS Number> (1,500)
6990-06-3

$$$$
Clindamycin hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,501)
1501

>  <Formula> (1,501)
C18H34Cl2N2O5S

>  <MolWeight> (1,501)
461.44396

>  <Item Name> (1,501)
Clindamycin HCl 

>  <Catalog Number> (1,501)
S2457

>  <Target> (1,501)
50S ribosomal 

>  <Form> (1,501)
hydrochloride

>  <URL> (1,501)
http://www.selleckchem.com/products/Clindamycin-

>  <CAS Number> (1,501)
21462-39-5 

$$$$
Clindamycin hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,502)
1502

>  <Formula> (1,502)
C34H64Cl2N2O6S

>  <MolWeight> (1,502)
699.85276

>  <Item Name> (1,502)
Clindamycin palmitate HCl

>  <Catalog Number> (1,502)
S2596

>  <Synonyms> (1,502)
N/A

>  <Target> (1,502)
Others

>  <Form> (1,502)
hydrochloride

>  <URL> (1,502)
http://selleckchem.com/products/clindamycin-palmitate-hcl.html

>  <CAS Number> (1,502)
25507-04-4 

$$$$
Isotretinoin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,503)
1503

>  <Formula> (1,503)
C20H28O2

>  <MolWeight> (1,503)
300.43512

>  <Item Name> (1,503)
Isotretinoin 

>  <Catalog Number> (1,503)
S1379 

>  <Synonyms> (1,503)
13-cis retinoic acid

>  <Target> (1,503)
hydroxylase

>  <Form> (1,503)
free base

>  <URL> (1,503)
http://www.selleckchem.com/products/Isotretinoin.html

>  <CAS Number> (1,503)
4759-48-2

$$$$
Ulipristal acetate.cdx
csChFnd80/01151910432D

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    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
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   11.6206    6.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 27  1  0  0  0  0
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  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
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 25 37  1  0  0  0  0
M  END
>  <Mol_ID> (1,504)
1504

>  <Formula> (1,504)
C30H37NO4

>  <MolWeight> (1,504)
475.61908

>  <Item Name> (1,504)
Ulipristal acetate

>  <Catalog Number> (1,504)
S3081

>  <Synonyms> (1,504)
CDB-2914

>  <Target> (1,504)
Estrogen/progestogen Receptor

>  <URL> (1,504)
http://selleckchem.com/products/ulipristal.html

>  <CAS Number> (1,504)
126784-99-4

$$$$
spiramycin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,505)
1505

>  <Formula> (1,505)
C43H74N2O14

>  <MolWeight> (1,505)
843.05266

>  <Item Name> (1,505)
spiramycin

>  <Catalog Number> (1,505)
S4082

>  <Synonyms> (1,505)
Formacidine

>  <Target> (1,505)
Anti-infection

>  <URL> (1,505)
http://selleckchem.com/products/spiramycin.html

>  <CAS Number> (1,505)
8025-81-8

$$$$
Methyl-Hesperidin.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,506)
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>  <Formula> (1,506)
C29H36O15

>  <MolWeight> (1,506)
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>  <Item Name> (1,506)
Methyl-Hesperidin

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S2323

>  <Form> (1,506)
free base

>  <CAS Number> (1,506)
 11013-97-1

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,507)
1507

>  <Formula> (1,507)
C18H21N5O2

>  <MolWeight> (1,507)
339.39164

>  <Item Name> (1,507)
Alogliptin£¨SYR-322£©

>  <Catalog Number> (1,507)
S2868

>  <Synonyms> (1,507)
N/A

>  <Target> (1,507)
DPP-4

>  <Form> (1,507)
Free Base

>  <URL> (1,507)
http://www.selleckchem.com/products/alogliptin-syr-322.html

>  <CAS Number> (1,507)
850649-61-5

$$$$
Propranolol HCl.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,508)
1508

>  <Formula> (1,508)
C16H22ClNO2

>  <MolWeight> (1,508)
295.80438

>  <Item Name> (1,508)
Propranolol HCl

>  <Catalog Number> (1,508)
S4076

>  <Synonyms> (1,508)
N/A

>  <Target> (1,508)
Adrenergic Receptor

>  <Form> (1,508)
Hydrochloride

>  <URL> (1,508)
http://www.selleckchem.com/products/propranolol-hcl.html

>  <CAS Number> (1,508)
318-98-9

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,509)
1509

>  <Formula> (1,509)
C15H14O6

>  <MolWeight> (1,509)
290.26806

>  <Item Name> (1,509)
(+)-Catechin

>  <Catalog Number> (1,509)
S4722

>  <Synonyms> (1,509)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (1,509)
Others

>  <Form> (1,509)
Free Base

>  <URL> (1,509)
http://www.selleckchem.com/products/catechin.html

>  <CAS Number> (1,509)
154-23-4

$$$$
untitled.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,510)
1510

>  <Formula> (1,510)
C31H42N6O4

>  <MolWeight> (1,510)
562.70298

>  <Item Name> (1,510)
Tandutinib (MLN518)

>  <Catalog Number> (1,510)
S1043

>  <Synonyms> (1,510)
CT53518

>  <Target> (1,510)
Flt

>  <Form> (1,510)
Free Base

>  <URL> (1,510)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

>  <CAS Number> (1,510)
387867-13-2

$$$$
untitled.cdx
csChFnd80/01151910432D

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

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443913-73-3

$$$$
Enrofloxacin.cdx
csChFnd80/01151910432D

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C19H22FN3O3

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Enrofloxacin

>  <Catalog Number> (1,512)
S3059

>  <Synonyms> (1,512)
N/A

>  <Target> (1,512)
Antifection

>  <Form> (1,512)
Free Base

>  <URL> (1,512)
http://www.selleckchem.com/products/enrofloxacin.html

>  <CAS Number> (1,512)
93106-60-6

$$$$
(R)-baclofen.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,513)
1513

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(R)-baclofen

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S3072

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N/A

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GABA Receptor

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Free Base

>  <URL> (1,513)
http://www.selleckchem.com/products/r-baclofen.html

>  <CAS Number> (1,513)
69308-37-8

$$$$
untitled.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,514)
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>  <Formula> (1,514)
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>  <Item Name> (1,514)
Miltefosine (Hexadecylphosphocholine)

>  <Catalog Number> (1,514)
S3056

>  <Synonyms> (1,514)
N/A

>  <Target> (1,514)
Akt

>  <Form> (1,514)
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>  <URL> (1,514)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

>  <CAS Number> (1,514)
58066-85-6

$$$$
L-NAME HCl.cdx
csChFnd80/01151910432D

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S2877

>  <Synonyms> (1,515)
N/A

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NOS

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>  <URL> (1,515)
http://www.selleckchem.com/products/l-name-hcl.html

>  <CAS Number> (1,515)
51298-62-5

$$$$
Ambroxol HCl.cdx
csChFnd80/01151910432D

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 13 15  1  0  0  0  0
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  8  9  1  0  0  0  0
  7  8  1  0  0  0  0
  4  7  1  6  0  0  0
  1 18  1  1  0  0  0
M  END
>  <Mol_ID> (1,516)
1516

>  <Formula> (1,516)
C13H19Br2ClN2O

>  <MolWeight> (1,516)
414.56376

>  <Item Name> (1,516)
Ambroxol HCl

>  <Catalog Number> (1,516)
S3064

>  <Synonyms> (1,516)
N/A

>  <Target> (1,516)
Sodium Channel

>  <Form> (1,516)
Hydrochloride

>  <URL> (1,516)
http://www.selleckchem.com/products/ambroxol-hcl.html

>  <CAS Number> (1,516)
23828-92-4

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/01151910432D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.2746    5.6000    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
    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    7.0000    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
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 14 19  1  0  0  0  0
  9 15  1  0  0  0  0
  3  9  1  0  0  0  0
 23 25  1  1  0  0  0
M  END
>  <Mol_ID> (1,517)
1517

>  <Formula> (1,517)
C18H21N5O2

>  <MolWeight> (1,517)
339.39164

>  <Item Name> (1,517)
Alogliptin

>  <Catalog Number> (1,517)
S5365

>  <CAS Number> (1,517)
850649-61-5

$$$$
Hygromycin B.cdx
csChFnd80/01151910432D

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    8.5856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4207   10.6808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    6.4881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2758    4.8583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.3808    3.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0612    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 27 39  1  6  0  0  0
  7 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,518)
1518

>  <Formula> (1,518)
C20H37N3O13

>  <MolWeight> (1,518)
527.52008

>  <Item Name> (1,518)
Hygromycin B

>  <Catalog Number> (1,518)
S2908

>  <Synonyms> (1,518)
N/A

>  <Target> (1,518)
Antifection

>  <Form> (1,518)
Free Base

>  <URL> (1,518)
http://www.selleckchem.com/products/hygromycin-b.html

>  <CAS Number> (1,518)
31282-04-9

$$$$
Mozavaptan.cdx
csChFnd80/01151910432D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4019    7.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4019    8.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5858    6.3541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5520    9.5114    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.5858    4.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,519)
1519

>  <Formula> (1,519)
C27H29N3O2

>  <MolWeight> (1,519)
427.53806

>  <Item Name> (1,519)
Mozavaptan

>  <Catalog Number> (1,519)
S2920

>  <Synonyms> (1,519)
N/A

>  <Target> (1,519)
Others

>  <Form> (1,519)
Free Base

>  <URL> (1,519)
http://www.selleckchem.com/products/mozavaptan.html

>  <CAS Number> (1,519)
137975-06-5

$$$$
Prazosin hydrochloride.cdx
csChFnd80/01151910432D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,520)
1520

>  <Formula> (1,520)
C19H22ClN5O4

>  <MolWeight> (1,520)
419.86208

>  <Item Name> (1,520)
Prazosin HCl

>  <Catalog Number> (1,520)
S1424

>  <Synonyms> (1,520)
Minipress,Vasoflex,Pressin and Hypovase

>  <Target> (1,520)
Others

>  <Form> (1,520)
Hydrochloride

>  <URL> (1,520)
http://www.selleckchem.com/products/Prazosin-hydrochloride.html

>  <CAS Number> (1,520)
19237-84-4

$$$$
DEPEN (penicillamine).cdx
csChFnd80/01151910432D

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    0.0000    1.3976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  1  0  0  0  0
  3  9  1  6  0  0  0
M  END
>  <Mol_ID> (1,521)
1521

>  <Formula> (1,521)
C5H11NO2S

>  <MolWeight> (1,521)
149.21134

>  <Item Name> (1,521)
Penicillamine (Cuprimine)

>  <Catalog Number> (1,521)
S1853

>  <Synonyms> (1,521)
Depen, Distamine, D-Mercaptovaline, D-Penamine, Kuprenil

>  <Target> (1,521)
Others

>  <Form> (1,521)
Free Base

>  <URL> (1,521)
http://www.selleckchem.com/products/Penicillamine(Cuprimine).html

>  <CAS Number> (1,521)
52-67-5

$$$$
LIQUID PRED (Lisinopril).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,522)
1522

>  <Formula> (1,522)
C21H31N3O5

>  <MolWeight> (1,522)
405.48794

>  <Item Name> (1,522)
Lisinopril (Zestril)

>  <Catalog Number> (1,522)
S2076

>  <Synonyms> (1,522)
Prinivil

>  <Target> (1,522)
RAAS

>  <Form> (1,522)
Free Base

>  <URL> (1,522)
http://www.selleckchem.com/products/lisinopril-zestril.html

>  <CAS Number> (1,522)
83915-83-7

$$$$
Fosinopril sodium.cdx
csChFnd80/01151910432D

 40 41  0  0  0  0  0  0  0  0999 V2000
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   10.8116   16.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,523)
1523

>  <Formula> (1,523)
C30H45NNaO7P

>  <MolWeight> (1,523)
585.644331

>  <Item Name> (1,523)
Fosinopril sodium (Monopril)

>  <Catalog Number> (1,523)
S2095

>  <Synonyms> (1,523)
N/A

>  <Target> (1,523)
RAAS

>  <Form> (1,523)
Sodium Salt

>  <URL> (1,523)
http://www.selleckchem.com/products/fosinopril-sodium-monopril.html

>  <CAS Number> (1,523)
88889-14-9

$$$$
Vinpocetine.cdx
csChFnd80/01151910432D

 27 31  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,524)
1524

>  <Formula> (1,524)
C22H26N2O2

>  <MolWeight> (1,524)
350.45404

>  <Item Name> (1,524)
Vinpocetine (Cavinton)

>  <Catalog Number> (1,524)
S2110

>  <Synonyms> (1,524)
N/A

>  <Target> (1,524)
Sodium Channel

>  <Form> (1,524)
Free Base

>  <URL> (1,524)
http://www.selleckchem.com/products/vinpocetine-cavinton.html

>  <CAS Number> (1,524)
42971-09-5

$$$$
Dichlorphenamide.cdx
csChFnd80/01151910432D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,525)
1525

>  <Formula> (1,525)
C6H6Cl2N2O4S2

>  <MolWeight> (1,525)
305.15884

>  <Item Name> (1,525)
Dichlorphenamide (Diclofenamide)

>  <Catalog Number> (1,525)
S2177

>  <Synonyms> (1,525)
Diclofenamide

>  <Target> (1,525)
Others

>  <Form> (1,525)
Free Base

>  <URL> (1,525)
http://www.selleckchem.com/products/Dichlorphenamide(Diclofenamide).html

>  <CAS Number> (1,525)
120-97-8

$$$$
Tobramycin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,526)
1526

>  <Formula> (1,526)
C18H37N5O9

>  <MolWeight> (1,526)
467.51448

>  <Item Name> (1,526)
Tobramycin

>  <Catalog Number> (1,526)
S2514

>  <Synonyms> (1,526)
N/A

>  <Target> (1,526)
Antifection

>  <Form> (1,526)
Free Base

>  <URL> (1,526)
http://www.selleckchem.com/products/Tobramycin(free-base).html

>  <CAS Number> (1,526)
32986-56-4

$$$$
Vancomycin hydrochloride.cdx
csChFnd80/01151910432D

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$$$$
RELENZA (zanamivir).cdx
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139110-80-8

$$$$
SULFAPYRIDINE (sulfapyridine).cdx
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144-83-2

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Raf

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Free Base

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http://www.selleckchem.com/products/cep-32496.html

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1188910-76-0

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CP-945598 HCl

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N/A

>  <Target> (1,533)
Cannabinoid Receptor

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>  <URL> (1,533)
http://www.selleckchem.com/products/cp-945598-hcl.html

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686347-12-6

$$$$
TAK-438.cdx
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Potassium Channel

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Fumarate

>  <URL> (1,534)
http://www.selleckchem.com/products/tak-438.html

>  <CAS Number> (1,534)
1260141-27-2

$$$$
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http://www.selleckchem.com/products/vortioxetine-lu-aa21004-hydrobromide.html

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960203-27-4

$$$$
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M  END
>  <Mol_ID> (1,536)
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>  <Formula> (1,536)
C23H21ClFN5O4S

>  <MolWeight> (1,536)
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>  <Item Name> (1,536)
PRX-08066 Maleic acid

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S8010

>  <Synonyms> (1,536)
N/A

>  <Target> (1,536)
5-HT Receptor

>  <Form> (1,536)
Maleate

>  <URL> (1,536)
http://www.selleckchem.com/products/prx-08066.html

>  <CAS Number> (1,536)
866206-55-5

$$$$
AZD5363.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,537)
1537

>  <Formula> (1,537)
C21H25ClN6O2

>  <MolWeight> (1,537)
428.9152

>  <Item Name> (1,537)
AZD5363

>  <Catalog Number> (1,537)
S8019

>  <Synonyms> (1,537)
N/A

>  <Target> (1,537)
Akt

>  <Form> (1,537)
Free Base

>  <URL> (1,537)
http://www.selleckchem.com/products/azd5363.html

>  <CAS Number> (1,537)
1143532-39-1

$$$$
Plerixafor.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,538)
1538

>  <Formula> (1,538)
C28H54N8

>  <MolWeight> (1,538)
502.78196

>  <Item Name> (1,538)
Plerixafor

>  <Catalog Number> (1,538)
S8030

>  <Synonyms> (1,538)
N/A

>  <Target> (1,538)
CXCR

>  <Form> (1,538)
Free Base

>  <URL> (1,538)
http://www.selleckchem.com/products/plerixafor.html

>  <CAS Number> (1,538)
110078-46-1

$$$$
Pemirolast potassium.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,539)
1539

>  <Formula> (1,539)
C10H7KN6O

>  <MolWeight> (1,539)
266.30048

>  <Item Name> (1,539)
Pemirolast (BMY 26517) potassium

>  <Catalog Number> (1,539)
S4008

>  <Synonyms> (1,539)
TWT-8152

>  <Target> (1,539)
Histamine Receptor

>  <Form> (1,539)
Potassium

>  <URL> (1,539)
http://www.selleckchem.com/products/pemirolast-bmy-26517-potassium.html

>  <CAS Number> (1,539)
100299-08-9

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,540)
1540

>  <Formula> (1,540)
FNa2O3P

>  <MolWeight> (1,540)
143.9499042

>  <Item Name> (1,540)
Sodium Monofluorophosphate

>  <Catalog Number> (1,540)
S4013

>  <Synonyms> (1,540)
Sodium Fluorophosphate

>  <Target> (1,540)
Others
phosphatase

>  <Form> (1,540)
Disodium salt

>  <URL> (1,540)
http://www.selleckchem.com/products/sodium-monofluorophosphate.html

>  <CAS Number> (1,540)
10163-15-2

$$$$
IPI-145.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,541)
1541

>  <Formula> (1,541)
C22H17ClN6O

>  <MolWeight> (1,541)
416.86298

>  <Item Name> (1,541)
Duvelisib (IPI-145, INK1197)

>  <Catalog Number> (1,541)
S7028

>  <Synonyms> (1,541)
N/A

>  <Target> (1,541)
PI3K

>  <Form> (1,541)
Free Base

>  <URL> (1,541)
http://www.selleckchem.com/products/ipi-145-ink1197.html

>  <CAS Number> (1,541)
1201438-56-3

$$$$
netilmicin sulfate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,542)
1542

>  <Formula> (1,542)
C42H92N10O34S5

>  <MolWeight> (1,542)
1441.55148

>  <Item Name> (1,542)
Netilmicin Sulfate

>  <Catalog Number> (1,542)
S4052

>  <Synonyms> (1,542)
N/A

>  <Target> (1,542)
Antifection

>  <Form> (1,542)
Sulfate

>  <URL> (1,542)
http://www.selleckchem.com/products/netilmicin-sulfate.html

>  <CAS Number> (1,542)
7664-93-9

$$$$
ABT-199.cdx
csChFnd80/01151910432D

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Bcl-2

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Free Base

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http://www.selleckchem.com/products/abt-199.html

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1257044-40-8

$$$$
Birinapant (TL32711).cdx
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Caspase

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http://www.selleckchem.com/products/birinapant-tl32711.html

>  <CAS Number> (1,544)
1260251-31-7

$$$$
Oprozomib (ONX 0912).cdx
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    2.4249    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1123    2.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.0725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.5994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0629    0.2066    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    9.9897    2.6944    0.0000 Br  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  1  0  0  0  0
  2  5  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  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
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,549)
1549

>  <Formula> (1,549)
C12H30Br2N2

>  <MolWeight> (1,549)
362.188

>  <Item Name> (1,549)
Hexamethonium Dibromide

>  <Catalog Number> (1,549)
S4069

>  <Synonyms> (1,549)
N/A

>  <Target> (1,549)
AChR

>  <Form> (1,549)
Dibromide

>  <URL> (1,549)
http://www.selleckchem.com/products/hexamethonium-bromide.html

>  <CAS Number> (1,549)
55-97-0

$$$$
Flavoxate HCL.cdx
csChFnd80/01151910432D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.3783    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    4.1883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    1.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    1.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    6.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0163    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0163    1.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    7.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0163    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1964    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    8.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1964    6.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3947    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    9.6972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3947    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302   10.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783   10.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302   11.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783   11.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379   12.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5789    9.7292    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
  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  2  0  0  0  0
  7 13  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
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
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 20 23  1  0  0  0  0
 21 24  2  0  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
 27 29  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,550)
1550

>  <Formula> (1,550)
C24H26ClNO4

>  <MolWeight> (1,550)
427.92054

>  <Item Name> (1,550)
Flavoxate HCl

>  <Catalog Number> (1,550)
S4027

>  <Synonyms> (1,550)
N/A

>  <Target> (1,550)
AChR

>  <Form> (1,550)
hydrochloride

>  <URL> (1,550)
http://www.selleckchem.com/products/flavoxate-hcl.html

>  <CAS Number> (1,550)
3717-88-2

$$$$
Mildronate.cdx
csChFnd80/01151910432D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    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 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
    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 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
  2  3  2  0  0  0  0
  2  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  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,551)
1551

>  <Formula> (1,551)
C6H15N2O2+

>  <MolWeight> (1,551)
147.1955

>  <Item Name> (1,551)
Mildronate

>  <Catalog Number> (1,551)
S4130

>  <Synonyms> (1,551)
N/A

>  <Target> (1,551)
Hydroxylase

>  <Form> (1,551)
Free Base

>  <URL> (1,551)
https://www.selleckchem.com/products/mildronate.html

>  <CAS Number> (1,551)
76144-81-5

$$$$
Succinylcholine Chloride Dihydrate.cdx
csChFnd80/01151910432D

 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
    2.4249    2.1000    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
    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
    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 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
    8.4871    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    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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 N   0  3  0  0  0  0  0  0  0  0  0  0
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    7.8808    6.1809    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    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
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 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,552)
1552

>  <Formula> (1,552)
C14H34Cl2N2O6

>  <MolWeight> (1,552)
397.33556

>  <Item Name> (1,552)
Succinylcholine Chloride Dihydrate

>  <Catalog Number> (1,552)
S4121

>  <Synonyms> (1,552)
Suxamethonium Chloride Dihydrate

>  <Target> (1,552)
AChR

>  <Form> (1,552)
Chloride

>  <URL> (1,552)
https://www.selleckchem.com/products/succinylcholine-suxamethonium-chloride-dihydrate.html

>  <CAS Number> (1,552)
6101-15-1

$$$$
Terbutaline sulfate.cdx
csChFnd80/01151910432D

 37 36  0  0  0  0  0  0  0  0999 V2000
    8.9399   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7274   11.2317    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1566   11.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5150   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7274   12.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3733   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1566    8.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3026   11.2317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3733    9.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5857   11.2317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1566    7.0244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  2  0  0  0  0
 33 37  2  0  0  0  0
M  END
>  <Mol_ID> (1,553)
1553

>  <Formula> (1,553)
C24H40N2O10S

>  <MolWeight> (1,553)
548.6468

>  <Item Name> (1,553)
Terbutaline Sulfate

>  <Catalog Number> (1,553)
S4127

>  <Synonyms> (1,553)
N/A

>  <Target> (1,553)
Adrenergic Receptor

>  <Form> (1,553)
Sulfate

>  <URL> (1,553)
https://www.selleckchem.com/products/terbutaline-sulfate.html

>  <CAS Number> (1,553)
23031-32-5 

$$$$
Macitentan(ACT-064992).cdx
csChFnd80/01151910432D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.3985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.4985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1961    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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Endothelin Receptor

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Free Base

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441798-33-0

$$$$
Gemcitabine hydrochloride.cdx
csChFnd80/01151910432D

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Gemzar

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http://www.selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

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122111-03-9

$$$$
Imiquimod.cdx
csChFnd80/01151910432D

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Aldara

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Immunology & Inflammation related

>  <Form> (1,556)
Free Base

>  <URL> (1,556)
http://www.selleckchem.com/products/Imiquimod.html

>  <CAS Number> (1,556)
99011-02-6

$$$$
Bleomycin sulfate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,557)
1557

>  <Formula> (1,557)
C55H85N17O25S4

>  <MolWeight> (1,557)
1512.6223

>  <Item Name> (1,557)
Bleomycin sulfate

>  <Catalog Number> (1,557)
S1214

>  <Synonyms> (1,557)
Blenoxane

>  <Target> (1,557)
DNA/RNA Synthesis

>  <Form> (1,557)
Sulfate

>  <URL> (1,557)
http://www.selleckchem.com/products/Bleomycin-sulfate.html

>  <CAS Number> (1,557)
9041-93-4

$$$$
Carboplatin.cdx
csChFnd80/01151910432D

 13 10  0  0  0  0  0  0  0  0999 V2000
    3.2875    2.4207    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    3.9875    1.2082    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,558)
1558

>  <Formula> (1,558)
C6H12N2O4Pt

>  <MolWeight> (1,558)
371.24848

>  <Item Name> (1,558)
Carboplatin

>  <Catalog Number> (1,558)
S1215

>  <Synonyms> (1,558)
Paraplatin

>  <Target> (1,558)
DNA/RNA Synthesis

>  <Form> (1,558)
Free Base

>  <URL> (1,558)
http://www.selleckchem.com/products/Carboplatin.html

>  <CAS Number> (1,558)
41575-94-4

$$$$
Eloxatin (Oxaliplatin).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,559)
1559

>  <Formula> (1,559)
C8H14N2O4Pt

>  <MolWeight> (1,559)
397.28576

>  <Item Name> (1,559)
Oxaliplatin (Eloxatin)

>  <Catalog Number> (1,559)
S1224

>  <Synonyms> (1,559)
Eloxatin

>  <Target> (1,559)
DNA/RNA Synthesis 

>  <Form> (1,559)
Free Base

>  <URL> (1,559)
http://www.selleckchem.com/products/Eloxatin.html

>  <CAS Number> (1,559)
61825-94-3

$$$$
S1037.cdx
csChFnd80/01151910432D

 31 31  0  0  0  0  0  0  0  0999 V2000
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 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,560)
1560

>  <Formula> (1,560)
C25H52NO4P

>  <MolWeight> (1,560)
461.658441

>  <Item Name> (1,560)
Perifosine (KRX-0401)

>  <Catalog Number> (1,560)
S1037

>  <Synonyms> (1,560)
NSC639966

>  <Target> (1,560)
Akt

>  <Form> (1,560)
Free Base

>  <URL> (1,560)
http://www.selleckchem.com/products/Perifosine.html

>  <CAS Number> (1,560)
157716-52-4

$$$$
Camptothecine.cdx
csChFnd80/01151910432D

 26 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.5832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0580    4.6832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,561)
1561

>  <Formula> (1,561)
C20H16N2O4

>  <MolWeight> (1,561)
348.35204

>  <Item Name> (1,561)
Camptothecin

>  <Catalog Number> (1,561)
S1288

>  <Synonyms> (1,561)
N/A

>  <Target> (1,561)
Topoisomerase

>  <Form> (1,561)
Free Base

>  <URL> (1,561)
http://www.selleckchem.com/products/Camptothecine.html

>  <CAS Number> (1,561)
7689-03-4

$$$$
Oxibendazole.cdx
csChFnd80/01151910432D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    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> (1,562)
1562

>  <Formula> (1,562)
C12H15N3O3

>  <MolWeight> (1,562)
249.2658

>  <Item Name> (1,562)
Oxibendazole

>  <Catalog Number> (1,562)
S1851

>  <Synonyms> (1,562)
N/A

>  <Target> (1,562)
Others

>  <Form> (1,562)
Free Base

>  <URL> (1,562)
http://www.selleckchem.com/products/oxibendazole.html

>  <CAS Number> (1,562)
20559-55-1

$$$$
D-glutamine.cdx
csChFnd80/01151910432D

 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> (1,563)
1563

>  <Formula> (1,563)
C5H10N2O3

>  <MolWeight> (1,563)
146.1445

>  <Item Name> (1,563)
D-glutamine

>  <Catalog Number> (1,563)
S1893

>  <Synonyms> (1,563)
N/A

>  <Target> (1,563)
GluR

>  <Form> (1,563)
Free Base

>  <URL> (1,563)
http://www.selleckchem.com/products/D-glutamine.html

>  <CAS Number> (1,563)
5959-95-5

$$$$
Irsogladine.cdx
csChFnd80/01151910432D

 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> (1,564)
1564

>  <Formula> (1,564)
C9H7Cl2N5

>  <MolWeight> (1,564)
256.09138

>  <Item Name> (1,564)
Irsogladine

>  <Catalog Number> (1,564)
S1929

>  <Synonyms> (1,564)
N/A

>  <Target> (1,564)
AChR,PDE

>  <Form> (1,564)
Free Base

>  <URL> (1,564)
http://www.selleckchem.com/products/Irsogladine-maleate.html

>  <CAS Number> (1,564)
57381-26-7

$$$$
Danofloxacin mesylate.cdx
csChFnd80/01151910432D

 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
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   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
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    2.5033    5.6707    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    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
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  3  7  1  0  0  0  0
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  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
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 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> (1,565)
1565

>  <Formula> (1,565)
C20H24FN3O6S

>  <MolWeight> (1,565)
453.4844632

>  <Item Name> (1,565)
Danofloxacin Mesylate

>  <Catalog Number> (1,565)
S3058

>  <Synonyms> (1,565)
N/A

>  <Target> (1,565)
Antifection

>  <Form> (1,565)
Mesylate

>  <URL> (1,565)
http://www.selleckchem.com/products/danofloxacin-mesylate.html

>  <CAS Number> (1,565)
119478-55-6

$$$$
Pamidronate Disodium.cdx
csChFnd80/01151910432D

 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> (1,566)
1566

>  <Formula> (1,566)
C3H9NNa2O7P2

>  <MolWeight> (1,566)
279.033122

>  <Item Name> (1,566)
Pamidronate Disodium

>  <Catalog Number> (1,566)
S1311

>  <Synonyms> (1,566)
Aredia

>  <Target> (1,566)
Others

>  <Form> (1,566)
Disodium salt

>  <URL> (1,566)
http://www.selleckchem.com/products/Pamidronate-Disodium.html

>  <CAS Number> (1,566)
57248-88-1

$$$$
Ellagic acid.cdx
csChFnd80/01151910432D

 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
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    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> (1,567)
1567

>  <Formula> (1,567)
C14H6O8

>  <MolWeight> (1,567)
302.19264

>  <Item Name> (1,567)
Ellagic acid

>  <Catalog Number> (1,567)
S1327

>  <Synonyms> (1,567)
N/A

>  <Target> (1,567)
Topoisomerases

>  <Form> (1,567)
Free Base

>  <URL> (1,567)
http://www.selleckchem.com/products/Ellagic-acid.html

>  <CAS Number> (1,567)
476-66-4

$$$$
Gabapentin hcl.cdx
csChFnd80/01151910432D

 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> (1,568)
1568

>  <Formula> (1,568)
C9H18ClNO2

>  <MolWeight> (1,568)
207.69772

>  <Item Name> (1,568)
Gabapentin Hydrochloride

>  <Catalog Number> (1,568)
S1338

>  <Synonyms> (1,568)
Gabarone, Neurontin

>  <Target> (1,568)
GABA Receptor

>  <Form> (1,568)
Hydrochloride

>  <URL> (1,568)
http://www.selleckchem.com/products/Gabapentin.html

>  <CAS Number> (1,568)
60142-95-2

$$$$
Galanthamine hydrobromide.cdx
csChFnd80/01151910432D

 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> (1,569)
1569

>  <Formula> (1,569)
C17H22BrNO3

>  <MolWeight> (1,569)
368.26548

>  <Item Name> (1,569)
Galanthamine hydrobromide

>  <Catalog Number> (1,569)
S1339

>  <Synonyms> (1,569)
Reminyl

>  <Target> (1,569)
AChR
mAChRs

>  <Form> (1,569)
Hydrobromide

>  <URL> (1,569)
http://www.selleckchem.com/products/Galanthamine-hydrobromide.html

>  <CAS Number> (1,569)
1953-04-4

$$$$
Granisetron Hydrochloride.cdx
csChFnd80/01151910432D

 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> (1,570)
1570

>  <Formula> (1,570)
C18H25ClN4O

>  <MolWeight> (1,570)
348.8703

>  <Item Name> (1,570)
Granisetron HCl

>  <Catalog Number> (1,570)
S1345

>  <Synonyms> (1,570)
Kytril

>  <Target> (1,570)
5-HT Receptor

>  <Form> (1,570)
Hydrochloride

>  <URL> (1,570)
http://www.selleckchem.com/products/Granisetron-Hydrochloride.html

>  <CAS Number> (1,570)
107007-99-8

$$$$
Ketoconazole.cdx
csChFnd80/01151910432D

 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> (1,571)
1571

>  <Formula> (1,571)
C26H28Cl2N4O4

>  <MolWeight> (1,571)
531.43092

>  <Item Name> (1,571)
Ketoconazole

>  <Catalog Number> (1,571)
S1353

>  <Synonyms> (1,571)
Nizoral, Extina, Xolegel, Kuric

>  <Target> (1,571)
P450

>  <Form> (1,571)
Free Base

>  <URL> (1,571)
http://www.selleckchem.com/products/Ketoconazole.html

>  <CAS Number> (1,571)
65277-42-1

$$$$
Dorzolamide HCL.cdx
csChFnd80/01151910432D

 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
    2.4207    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9646    1.4798    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    3.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.4076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    2.6124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5826    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4106    0.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5570    2.4534    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
  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
  6 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
  2 17  1  1  0  0  0
  3 18  2  0  0  0  0
  3 19  2  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> (1,572)
1572

>  <Formula> (1,572)
C10H17ClN2O4S3

>  <MolWeight> (1,572)
360.90098

>  <Item Name> (1,572)
Dorzolamide HCL

>  <Catalog Number> (1,572)
S1375

>  <Synonyms> (1,572)
Trusopt, Cosopt

>  <Target> (1,572)
Carbonic Anhydrase

>  <Form> (1,572)
Hydrochloride

>  <URL> (1,572)
http://www.selleckchem.com/products/Dorzolamide-HCL.html

>  <CAS Number> (1,572)
130693-82-2

$$$$
Mizoribine.cdx
csChFnd80/01151910432D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.1414    3.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7891    3.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0266    2.4356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9077    1.3476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2147    1.8493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2256    4.1254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334    2.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3847    1.0895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5779    3.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3404    4.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,573)
1573

>  <Formula> (1,573)
C9H13N3O6

>  <MolWeight> (1,573)
259.21602

>  <Item Name> (1,573)
Mizoribine (Bredinin)

>  <Catalog Number> (1,573)
S1384

>  <Synonyms> (1,573)
HE 69

>  <Target> (1,573)
DNA/RNA Synthesis

>  <Form> (1,573)
Free Base

>  <URL> (1,573)
http://www.selleckchem.com/products/Mizoribine.html

>  <CAS Number> (1,573)
50924-49-7

$$$$
S3003 Dinoprostone.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,574)
1574

>  <Formula> (1,574)
C20H32O5

>  <MolWeight> (1,574)
352.46508

>  <Item Name> (1,574)
Dinoprostone

>  <Catalog Number> (1,574)
S3003

>  <Form> (1,574)
free base

>  <CAS Number> (1,574)
363-24-6

$$$$
Risedronate sodium.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,575)
1575

>  <Formula> (1,575)
C7H10NNaO7P2

>  <MolWeight> (1,575)
305.094092

>  <Item Name> (1,575)
Risedronate sodium

>  <Catalog Number> (1,575)
S1428

>  <Synonyms> (1,575)
Actonel

>  <Target> (1,575)
Others

>  <Form> (1,575)
Sodium salt

>  <URL> (1,575)
http://www.selleckchem.com/products/Risedronate-sodium.html

>  <CAS Number> (1,575)
115436-72-1

$$$$
Varenicline tartrate.cdx
csChFnd80/01151910432D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,576)
1576

>  <Formula> (1,576)
C17H19N3O6

>  <MolWeight> (1,576)
361.34926

>  <Item Name> (1,576)
Varenicline tartrate

>  <Catalog Number> (1,576)
S1440

>  <Synonyms> (1,576)
Chantix, Champix

>  <Target> (1,576)
AChR

>  <Form> (1,576)
Tartrate

>  <URL> (1,576)
http://www.selleckchem.com/products/Varenicline-tartrate.html

>  <CAS Number> (1,576)
375815-87-5

$$$$
LY2228820.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,577)
1577

>  <Formula> (1,577)
C26H37FN6O6S2

>  <MolWeight> (1,577)
612.7369832

>  <Item Name> (1,577)
LY2228820

>  <Catalog Number> (1,577)
S1494

>  <Synonyms> (1,577)
N/A

>  <Target> (1,577)
p38 MAPK

>  <Form> (1,577)
Dimesylate

>  <URL> (1,577)
http://www.selleckchem.com/products/LY2228820.html

>  <CAS Number> (1,577)
862507-23-1

$$$$
ACEON (perindopril erbumine).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,578)
1578

>  <Formula> (1,578)
C23H43N3O5

>  <MolWeight> (1,578)
441.60462

>  <Item Name> (1,578)
Perindopril Erbumine (Aceon)

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S1506

>  <Synonyms> (1,578)
Perindopril, Coversyl

>  <Target> (1,578)
RAAS

>  <Form> (1,578)
t-Butylamine

>  <URL> (1,578)
http://www.selleckchem.com/products/Perindopril-Erbumine(Aceon).html

>  <CAS Number> (1,578)
107133-36-8

$$$$
IRBESARTAN (irbesartan).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,579)
1579

>  <Formula> (1,579)
C25H28N6O

>  <MolWeight> (1,579)
428.52942

>  <Item Name> (1,579)
Irbesartan (Avapro)

>  <Catalog Number> (1,579)
S1507

>  <Synonyms> (1,579)
BMS-186295, SR-47436                                                                          

>  <Target> (1,579)
RAAS

>  <Form> (1,579)
Free Base

>  <URL> (1,579)
http://www.selleckchem.com/products/Irbesartan(Avapro).html

>  <CAS Number> (1,579)
138402-11-6

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,580)
1580

>  <Formula> (1,580)
C16H18FN3O3

>  <MolWeight> (1,580)
319.3308232

>  <Item Name> (1,580)
Norfloxacin (Norxacin)

>  <Catalog Number> (1,580)
S1509

>  <Synonyms> (1,580)
Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin 

>  <Target> (1,580)
Others

>  <Form> (1,580)
Free Base

>  <URL> (1,580)
http://www.selleckchem.com/products/Norfloxacin(Norxacin).html

>  <CAS Number> (1,580)
70458-96-7

$$$$
Cidofovir .cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,581)
1581

>  <Formula> (1,581)
C8H14N3O6P

>  <MolWeight> (1,581)
279.187021

>  <Item Name> (1,581)
Cidofovir (Vistide)

>  <Catalog Number> (1,581)
S1516

>  <Synonyms> (1,581)
Vistide

>  <Target> (1,581)
Others

>  <Form> (1,581)
Free Base

>  <URL> (1,581)
http://www.selleckchem.com/products/Cidofovir.html

>  <CAS Number> (1,581)
113852-37-2

$$$$
NEOPROFEN (ibuprofen lysine).cdx
csChFnd80/01151910432D

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 17 23  1  1  0  0  0
 16 24  1  0  0  0  0
 16 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,582)
1582

>  <Formula> (1,582)
C19H32N2O4

>  <MolWeight> (1,582)
352.46838

>  <Item Name> (1,582)
Ibuprofen Lysine (NeoProfen)

>  <Catalog Number> (1,582)
S1518

>  <Synonyms> (1,582)
NeoProfen

>  <Target> (1,582)
COX

>  <Form> (1,582)
Lysine

>  <URL> (1,582)
http://www.selleckchem.com/products/Ibuprofen-Lysine(Motrin).html

>  <CAS Number> (1,582)
57469-77-9

$$$$
Tripelennamine hydrochloride.cdx
csChFnd80/01151910432D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.8000    4.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    3.2957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 17  2  0  0  0  0
 11 12  1  0  0  0  0
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  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,583)
1583

>  <Formula> (1,583)
C16H22ClN3

>  <MolWeight> (1,583)
291.81898

>  <Item Name> (1,583)
Tripelennamine HCl

>  <Catalog Number> (1,583)
S3146

>  <Synonyms> (1,583)
N/A 

>  <Target> (1,583)
Histamine Receptor

>  <Form> (1,583)
HCl

>  <URL> (1,583)
http://www.selleckchem.com/products/tripelennamine-hydrochloride.html

>  <CAS Number> (1,583)
154-69-8

$$$$

csChFnd80/01151910432D

 47 52  0  0  0  0  0  0  0  0999 V2000
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   10.6167   12.5458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8249   13.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5225   14.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2200   13.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6355    6.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0230    6.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5537    4.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9552    5.3341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9920    6.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9920    7.6628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4084    7.6628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4084    6.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6167    5.5700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8249    6.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2200    6.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2002    9.7555    0.0000 N   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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 22 23  1  0  0  0  0
 20 22  1  0  0  0  0
 18 26  1  0  0  0  0
  9 15  1  6  0  0  0
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 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  6  0  0  0
 32 33  1  0  0  0  0
 34 35  2  0  0  0  0
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 36 37  1  0  0  0  0
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 38 39  2  0  0  0  0
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 39 47  1  0  0  0  0
 30 36  1  6  0  0  0
M  END
>  <Mol_ID> (1,584)
1584

>  <Formula> (1,584)
C28H38N12O6S

>  <MolWeight> (1,584)
670.74312

>  <Item Name> (1,584)
Abacavir sulfate

>  <Catalog Number> (1,584)
S3165

>  <Synonyms> (1,584)
N/A 

>  <Target> (1,584)
Reverse Transcriptase

>  <Form> (1,584)
Sulfate

>  <URL> (1,584)
http://www.selleckchem.com/products/abacavir-sulfate.html

>  <CAS Number> (1,584)
188062-50-2

$$$$
Amikacin hydrate.cdx
csChFnd80/01151910432D

 43 43  0  0  0  0  0  0  0  0999 V2000
    3.3446    4.2073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3446    2.8024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5612    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7779    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7779    4.2073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.3488    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2028    4.2073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9945    3.5049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6361    2.8024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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A   42
R
M  END
>  <Mol_ID> (1,585)
1585

>  <Formula> (1,585)
C22H45N5O14R

>  <MolWeight> (1,585)
603.6178

>  <Item Name> (1,585)
Amikacin hydrate

>  <Catalog Number> (1,585)
S3122

>  <Synonyms> (1,585)
N/A 

>  <Target> (1,585)
Antifection

>  <Form> (1,585)
Hydrate

>  <URL> (1,585)
http://www.selleckchem.com/products/amikacin-hydrate.html

>  <CAS Number> (1,585)
1257517-67-1

$$$$
RISPERIDONE (risperidone).cdx
csChFnd80/01151910432D

 30 34  0  0  0  0  0  0  0  0999 V2000
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   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
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M  END
>  <Mol_ID> (1,586)
1586

>  <Formula> (1,586)
C23H27FN4O2

>  <MolWeight> (1,586)
410.4844832

>  <Item Name> (1,586)
Risperidone (Risperdal)

>  <Catalog Number> (1,586)
S1615

>  <Synonyms> (1,586)
R 64 766, Risperdal

>  <Target> (1,586)
5-HT Receptor

>  <Form> (1,586)
Free Base

>  <URL> (1,586)
http://www.selleckchem.com/products/Risperidone(Risperdal).html

>  <CAS Number> (1,586)
106266-06-2

$$$$
ALENDRONATE SODIUM (alendronate sodium).cdx
csChFnd80/01151910432D

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    2.8316    3.0899    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4647    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8215    4.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0541    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0340    3.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0686   12.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,587)
1587

>  <Formula> (1,587)
C4H19NNaO10P2

>  <MolWeight> (1,587)
326.131652

>  <Item Name> (1,587)
Alendronate sodium trihydrate

>  <Catalog Number> (1,587)
S1624

>  <Synonyms> (1,587)
N/A

>  <Target> (1,587)
Others

>  <Form> (1,587)
Sodium Salt

>  <URL> (1,587)
http://www.selleckchem.com/products/Alendronate-Sodium(Fosamax).html

>  <CAS Number> (1,587)
121268-17-5

$$$$
Oxacillin sodium monohydrate.cdx
csChFnd80/01151910432D

 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
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    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
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 11  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,588)
1588

>  <Formula> (1,588)
C19H20N3NaO6S

>  <MolWeight> (1,588)
441.43337

>  <Item Name> (1,588)
Oxacillin sodium monohydrate

>  <Catalog Number> (1,588)
S2563

>  <Synonyms> (1,588)
N/A

>  <Target> (1,588)
Antifection

>  <Form> (1,588)
Sodium Salt & hydrate

>  <URL> (1,588)
http://www.selleckchem.com/products/Oxacillin-sodium-monohydrate.html

>  <CAS Number> (1,588)
7240-38-2

$$$$
ALDOMET (methyldopa).cdx
csChFnd80/01151910432D

 15 15  0  0  0  0  0  0  0  0999 V2000
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    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
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    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
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  6  1  1  0  0  0  0
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M  END
>  <Mol_ID> (1,589)
1589

>  <Formula> (1,589)
C10H13NO4

>  <MolWeight> (1,589)
211.21452

>  <Item Name> (1,589)
Methyldopa (Aldomet)

>  <Catalog Number> (1,589)
S1642

>  <Synonyms> (1,589)
Aldoril 

>  <Target> (1,589)
Others

>  <Form> (1,589)
Free Base

>  <URL> (1,589)
http://www.selleckchem.com/products/Methyldopa(Aldomet).html

>  <CAS Number> (1,589)
555-30-6

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/01151910432D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    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
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M  END
>  <Mol_ID> (1,590)
1590

>  <Formula> (1,590)
C9H13N3O5

>  <MolWeight> (1,590)
243.21662

>  <Item Name> (1,590)
Cytarabine

>  <Catalog Number> (1,590)
S1648

>  <Synonyms> (1,590)
N/A 

>  <Target> (1,590)
Others

>  <Form> (1,590)
Free Base

>  <URL> (1,590)
http://www.selleckchem.com/products/Cytarabine(Cytosar-U).html

>  <CAS Number> (1,590)
147-94-4

$$$$
DEMADEX (torsemide).cdx
csChFnd80/01151910432D

 24 25  0  0  0  0  0  0  0  0999 V2000
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    7.2494    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    6.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    6.9951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    6.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,591)
1591

>  <Formula> (1,591)
C16H20N4O3S

>  <MolWeight> (1,591)
348.42

>  <Item Name> (1,591)
Torsemide (Demadex)

>  <Catalog Number> (1,591)
S1698

>  <Synonyms> (1,591)
Demadex

>  <Target> (1,591)
Others

>  <Form> (1,591)
Free Base

>  <URL> (1,591)
http://www.selleckchem.com/products/Torsemide(Demadex).html

>  <CAS Number> (1,591)
56211-40-6

$$$$
EPLERENONE (eplerenone).cdx
csChFnd80/01151910432D

 32 37  0  0  0  0  0  0  0  0999 V2000
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 28 30  2  0  0  0  0
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 11 32  1  6  0  0  0
M  END
>  <Mol_ID> (1,592)
1592

>  <Formula> (1,592)
C24H30O6

>  <MolWeight> (1,592)
414.4914

>  <Item Name> (1,592)
Eplerenone

>  <Catalog Number> (1,592)
S1707

>  <Synonyms> (1,592)
Inspra

>  <Target> (1,592)
Glucocorticoid Receptor

>  <Form> (1,592)
Free Base

>  <URL> (1,592)
http://www.selleckchem.com/products/Eplerenone(Inspra).html

>  <CAS Number> (1,592)
107724-20-9

$$$$
SOLATENE (beta carotene).cdx
csChFnd80/01151910432D

 40 41  0  0  0  0  0  0  0  0999 V2000
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    6.0706    3.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,593)
1593

>  <Formula> (1,593)
C40H56

>  <MolWeight> (1,593)
536.87264

>  <Item Name> (1,593)
Beta Carotene

>  <Catalog Number> (1,593)
S1767

>  <Synonyms> (1,593)
¦Â,¦Â-Carotene, Provitamin A, Solatene, ¦Â-Carotene 

>  <Target> (1,593)
Others

>  <Form> (1,593)
Free Base

>  <URL> (1,593)
http://www.selleckchem.com/products/Beta-Carotene.html

>  <CAS Number> (1,593)
7235-40-7

$$$$
Deferiprone.cdx
csChFnd80/01151910432D

 10 10  0  0  0  0  0  0  0  0999 V2000
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    0.0000    4.1927    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  1  0  0  0  0
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  1  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,594)
1594

>  <Formula> (1,594)
C7H9NO2

>  <MolWeight> (1,594)
139.15186

>  <Item Name> (1,594)
Deferiprone

>  <Catalog Number> (1,594)
S4067

>  <Synonyms> (1,594)
N/A

>  <Target> (1,594)
Others

>  <Form> (1,594)
Free Base

>  <URL> (1,594)
http://www.selleckchem.com/products/deferiprone.html

>  <CAS Number> (1,594)
30652-11-0

$$$$
Levamisole Hydrochloride.cdx
csChFnd80/01151910432D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,595)
1595

>  <Formula> (1,595)
C11H13ClN2S

>  <MolWeight> (1,595)
240.75232

>  <Item Name> (1,595)
(-)-Tetramisole 

>  <Catalog Number> (1,595)
S1939

>  <Synonyms> (1,595)
Ergamisol

>  <Target> (1,595)
Immunology & Inflammation related

>  <Form> (1,595)
Hydrochloride

>  <URL> (1,595)
http://www.selleckchem.com/products/Levamisole-Hydrochloride(Ergamisol).html

>  <CAS Number> (1,595)
16595-80-5 

$$$$
SEROMYCIN (cycloserine).cdx
csChFnd80/01151910432D

  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
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M  END
>  <Mol_ID> (1,596)
1596

>  <Formula> (1,596)
C3H6N2O2

>  <MolWeight> (1,596)
102.09194

>  <Item Name> (1,596)
D-Cycloserine

>  <Catalog Number> (1,596)
S1998

>  <Synonyms> (1,596)
Seromycin

>  <Target> (1,596)
Antifection

>  <Form> (1,596)
Free Base

>  <URL> (1,596)
http://www.selleckchem.com/products/D-Cycloserine.html

>  <CAS Number> (1,596)
68-41-7

$$$$
Sodium butyrate.cdx
csChFnd80/01151910432D

  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
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    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
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    3.6415    2.1024    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
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,597)
1597

>  <Formula> (1,597)
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Sodium butyrate

>  <Catalog Number> (1,597)
S1999

>  <Synonyms> (1,597)
Butyric acid sodium salt

>  <Target> (1,597)
HDAC

>  <Form> (1,597)
Sodium Salt

>  <URL> (1,597)
http://www.selleckchem.com/products/Sodium-butyrate.html

>  <CAS Number> (1,597)
156-54-7

$$$$
Taurine.cdx
csChFnd80/01151910432D

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M  END
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1598

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C2H7NO3S

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Taurine

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S2008

>  <Synonyms> (1,598)
2-Aminoethanesulfonic acid

>  <Target> (1,598)
Others

>  <Form> (1,598)
Free Base

>  <URL> (1,598)
http://www.selleckchem.com/products/Taurine.html

>  <CAS Number> (1,598)
107-35-7

$$$$
Fudosteine.cdx
csChFnd80/01151910432D

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C6H13NO3S

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Fudosteine

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N/A

>  <Target> (1,599)
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>  <Form> (1,599)
Free Base

>  <URL> (1,599)
http://www.selleckchem.com/products/Fudosteine.html

>  <CAS Number> (1,599)
13189-98-5

$$$$
Creatinine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,600)
1600

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C4H7N3O

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Creatinine

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S3102

>  <Synonyms> (1,600)
N/A 

>  <Target> (1,600)
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Free Base

>  <URL> (1,600)
http://www.selleckchem.com/products/creatinine.html

>  <CAS Number> (1,600)
60-27-5

$$$$
Neratinib.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,601)
1601

>  <Formula> (1,601)
C30H29ClN6O3

>  <MolWeight> (1,601)
557.04266

>  <Item Name> (1,601)
Neratinib (HKI-272)

>  <Catalog Number> (1,601)
S2150

>  <Synonyms> (1,601)
N/A 

>  <Target> (1,601)
HER2, EGFR

>  <Form> (1,601)
Free Base

>  <URL> (1,601)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

>  <CAS Number> (1,601)
698387-09-6

$$$$
R 788.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,602)
1602

>  <Formula> (1,602)
C23H24FN6Na2O9P

>  <MolWeight> (1,602)
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>  <Item Name> (1,602)
R935788 (Fostamatinib disodium)

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S2206

>  <Synonyms> (1,602)
N/A 

>  <Target> (1,602)
Syk

>  <Form> (1,602)
Sodium Salt

>  <URL> (1,602)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

>  <CAS Number> (1,602)
1025687-58-4

$$$$
(-)-Huperzine A.cdx
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M  END
>  <Mol_ID> (1,603)
1603

>  <Formula> (1,603)
C15H18N2O

>  <MolWeight> (1,603)
242.31622

>  <Item Name> (1,603)
(-)-Huperzine A (HupA)

>  <Catalog Number> (1,603)
S2251

>  <Synonyms> (1,603)
N/A

>  <Target> (1,603)
AChR & GluR

>  <Form> (1,603)
Free Base

>  <URL> (1,603)
http://www.selleckchem.com/products/(-)-Huperzine-A.html

>  <CAS Number> (1,603)
102518-79-6

$$$$
Diosmin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,604)
1604

>  <Formula> (1,604)
C28H32O15

>  <MolWeight> (1,604)
608.54468

>  <Item Name> (1,604)
Diosmin

>  <Catalog Number> (1,604)
S2292

>  <Synonyms> (1,604)
N/A

>  <Target> (1,604)
Others

>  <Form> (1,604)
Free Base

>  <URL> (1,604)
http://www.selleckchem.com/products/Diosmin.html

>  <CAS Number> (1,604)
520-27-4

$$$$
Donepezil HCl.cdx
csChFnd80/01151910432D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,605)
1605

>  <Formula> (1,605)
C24H30ClNO3

>  <MolWeight> (1,605)
415.9529

>  <Item Name> (1,605)
Donepezil HCl (Aricept)

>  <Catalog Number> (1,605)
S2462

>  <Synonyms> (1,605)
N/A 

>  <Target> (1,605)
AChR

>  <Form> (1,605)
Hydrochloride

>  <URL> (1,605)
http://www.selleckchem.com/products/Donepezil-hydrochloride(Aricept).html

>  <CAS Number> (1,605)
120011-70-3

$$$$
Itraconazole.cdx
csChFnd80/01151910432D

 49 55  0  0  0  0  0  0  0  0999 V2000
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 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> (1,606)
1606

>  <Formula> (1,606)
C35H38Cl2N8O4

>  <MolWeight> (1,606)
705.63342

>  <Item Name> (1,606)
Itraconazole (Sporanox)

>  <Catalog Number> (1,606)
S2476

>  <Synonyms> (1,606)
Sporanox

>  <Target> (1,606)
P450 (e.g. CYP17)

>  <Form> (1,606)
Free Base

>  <URL> (1,606)
http://www.selleckchem.com/products/Itraconazole(Sporanox).html

>  <CAS Number> (1,606)
84625-61-6

$$$$
Neostigmine bromide.cdx
csChFnd80/01151910432D

 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> (1,607)
1607

>  <Formula> (1,607)
C12H19BrN2O2

>  <MolWeight> (1,607)
303.19546

>  <Item Name> (1,607)
Neostigmine bromide (Prostigmin)

>  <Catalog Number> (1,607)
S2490

>  <Synonyms> (1,607)
Prostigmin, Vagostigmin

>  <Target> (1,607)
AChR

>  <Form> (1,607)
Bromide

>  <URL> (1,607)
http://www.selleckchem.com/products/Neostigmine-bromide(Prostigmin).html

>  <CAS Number> (1,607)
114-80-7

$$$$
Salbutamol sulfate.cdx
csChFnd80/01151910432D

 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> (1,608)
1608

>  <Formula> (1,608)
C13H23NO7S

>  <MolWeight> (1,608)
337.38922

>  <Item Name> (1,608)
Salbutamol sulfate (Albuterol)

>  <Catalog Number> (1,608)
S2507

>  <Synonyms> (1,608)
Albuterol, Ventolin, Aerolin, Ventorlin, Asthalin, Asthavent

>  <Target> (1,608)
Adrenergic Receptor

>  <Form> (1,608)
Sulfate

>  <URL> (1,608)
http://www.selleckchem.com/products/Salbutamol-sulfate(Albuterol).html

>  <CAS Number> (1,608)
51022-70-9

$$$$
Methacycline hydrochloride.cdx
csChFnd80/01151910432D

 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
    6.0622    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.4771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    5.8771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.5771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.5771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.4771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.5771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.2722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.9722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.2722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.9722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4971    8.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4770    8.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1499    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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 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
 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
 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
 21 17  1  0  0  0  0
  3 22  1  0  0  0  0
 10 23  2  0  0  0  0
  7 24  2  0  0  0  0
 15 25  2  0  0  0  0
 19 26  2  0  0  0  0
  9 27  1  6  0  0  0
 14 28  1  6  0  0  0
 13 29  1  6  0  0  0
 18 30  1  6  0  0  0
 12 31  1  6  0  0  0
 11 32  1  0  0  0  0
  7  8  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,609)
1609

>  <Formula> (1,609)
C22H23ClN2O8

>  <MolWeight> (1,609)
478.87962

>  <Item Name> (1,609)
Methacycline hydrochloride (Physiomycine)

>  <Catalog Number> (1,609)
S2527

>  <Synonyms> (1,609)
Adriamicina, Ciclobiotic, Germiciclin, Londomycin, Metacyclin hydrochloride, Metadomus, Methacycline 

>  <Target> (1,609)
Antifection

>  <Form> (1,609)
Hydrochloride 

>  <URL> (1,609)
http://www.selleckchem.com/products/Methacycline-hydrochloride-Physiomycine.html

>  <CAS Number> (1,609)
3963-95-9

$$$$
Nxy-059.cdx
csChFnd80/01151910432D

 23 21  0  0  0  0  0  0  0  0999 V2000
    4.8413    4.1976    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
    6.0538    6.2927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 S   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
    2.4207    4.1951    0.0000 N   0  3  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
    0.0042    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7951    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0538    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6538    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4538    6.2927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6869    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.1720    3.3082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7769    0.8918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5434    3.9093    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.1435    3.9093    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
  6  7  1  0  0  0  0
  4  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  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
  7 16  2  0  0  0  0
  7 17  2  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  2  0  0  0  0
  8 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,610)
1610

>  <Formula> (1,610)
C11H13NNa2O7S2

>  <MolWeight> (1,610)
381.33296

>  <Item Name> (1,610)
NXY-059 (Disufenton sodium)

>  <Catalog Number> (1,610)
S6002

>  <Synonyms> (1,610)
Cerovive, Disufenton Sodium

>  <Target> (1,610)
Others

>  <Form> (1,610)
Disodium salt

>  <URL> (1,610)
http://www.selleckchem.com/products/NXY-059.html

>  <CAS Number> (1,610)
168021-79-2

$$$$
untitled.cdx
csChFnd80/01151910432D

 21 23  0  0  0  0  0  0  0  0999 V2000
    8.8086    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8086    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0210    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0210    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2292    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4375    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3879    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2416    4.1899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8722    4.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1089    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9618    4.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8229    1.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    1.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353    0.7151    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
  7  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  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  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 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,611)
1611

>  <Formula> (1,611)
C15H9FN2O3

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56-85-9

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csChFnd80/01151910432D

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74050-98-9

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98079-52-8

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304-20-1

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M  END
>  <Mol_ID> (1,620)
1620

>  <Formula> (1,620)
C23H48N6O17S

>  <MolWeight> (1,620)
712.72222

>  <Item Name> (1,620)
Neomycin sulfate

>  <Catalog Number> (1,620)
S2568 

>  <Synonyms> (1,620)
N/A

>  <Target> (1,620)
Antifection

>  <Form> (1,620)
Sulfate

>  <URL> (1,620)
http://www.selleckchem.com/products/Neomycin-sulfate.html

>  <CAS Number> (1,620)
1405-10-3

$$$$
Amiloride hydrochloride dihydrate.cdx
csChFnd80/01151910432D

 18 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,621)
1621

>  <Formula> (1,621)
C6H13Cl2N7O3

>  <MolWeight> (1,621)
302.11852

>  <Item Name> (1,621)
Amiloride hydrochloride dihydrate

>  <Catalog Number> (1,621)
S2560 

>  <Synonyms> (1,621)
MK-870

>  <Target> (1,621)
Sodium Channel

>  <Form> (1,621)
hydrochloride & dihydrate

>  <URL> (1,621)
http://www.selleckchem.com/products/amilorida.html

>  <CAS Number> (1,621)
17440-83-4

$$$$
SCH 900776.cdx
csChFnd80/01151910432D

 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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 22 18  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,622)
1622

>  <Formula> (1,622)
C15H18BrN7

>  <MolWeight> (1,622)
376.25432

>  <Item Name> (1,622)
MK-8776 (SCH 900776)

>  <Catalog Number> (1,622)
S2735

>  <Synonyms> (1,622)
N/A

>  <Target> (1,622)
CHK

>  <Form> (1,622)
Free Base

>  <URL> (1,622)
http://www.selleckchem.com/products/sch-900776.html

>  <CAS Number> (1,622)
891494-63-6

$$$$
Meclizine dihydrochloride.cdx
csChFnd80/01151910432D

 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
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    4.8413    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,623)
1623

>  <Formula> (1,623)
C25H29Cl3N2

>  <MolWeight> (1,623)
463.87016

>  <Item Name> (1,623)
Meclizine dihydrochloride

>  <Catalog Number> (1,623)
S1986 

>  <Synonyms> (1,623)
N/A

>  <Target> (1,623)
Others

>  <Form> (1,623)
Dihydrochloride

>  <URL> (1,623)
http://www.selleckchem.com/products/meclizine-dihydrochloride.html

>  <CAS Number> (1,623)
1104-22-9

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/01151910432D

 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
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    6.0664    1.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.3878    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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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,624)
1624

>  <Formula> (1,624)
C12H20ClN3O

>  <MolWeight> (1,624)
257.7597

>  <Item Name> (1,624)
Procarbazine hydrochloride (Matulane)

>  <Catalog Number> (1,624)
S1995

>  <Synonyms> (1,624)
N/A 

>  <Target> (1,624)
DNA/RNA

>  <Form> (1,624)
Hydrochloride

>  <URL> (1,624)
http://www.selleckchem.com/products/procarbazine-hydrochloride-matulane.html

>  <CAS Number> (1,624)
366-70-1

$$$$
Ticlopidine hydrochloride.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (1,625)
1625

>  <Formula> (1,625)
C14H15Cl2NS

>  <MolWeight> (1,625)
300.2466

>  <Item Name> (1,625)
Ticlopidine hydrochloride

>  <Catalog Number> (1,625)
S1984

>  <Synonyms> (1,625)
N/A

>  <Target> (1,625)
P2 Receptor

>  <Form> (1,625)
Hydrochloride

>  <URL> (1,625)
http://www.selleckchem.com/products/ticlopidine-hydrochloride.html

>  <CAS Number> (1,625)
53885-35-1

$$$$
Trazodone hydrochloride.cdx
csChFnd80/01151910432D

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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,626)
1626

>  <Formula> (1,626)
C19H23Cl2N5O

>  <MolWeight> (1,626)
408.32482

>  <Item Name> (1,626)
Trazodone hydrochloride (Desyrel)

>  <Catalog Number> (1,626)
S2582

>  <Synonyms> (1,626)
N/A 

>  <Target> (1,626)
5-HT Receptor

>  <Form> (1,626)
Hydrochloride

>  <URL> (1,626)
http://www.selleckchem.com/products/trazodone-hydrochloride-desyrel.html

>  <CAS Number> (1,626)
25332-39-2 

$$$$
Disodium Cromoglycate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,627)
1627

>  <Formula> (1,627)
C23H14Na2O11

>  <MolWeight> (1,627)
512.3302

>  <Item Name> (1,627)
Disodium Cromoglycate

>  <Catalog Number> (1,627)
S1911

>  <Synonyms> (1,627)
Gynazole

>  <Target> (1,627)
Calcium Channel

>  <Form> (1,627)
Disodium Salt

>  <URL> (1,627)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

>  <CAS Number> (1,627)
15826-37-6

$$$$
Epalrestat.cdx
csChFnd80/01151910432D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,628)
1628

>  <Formula> (1,628)
C15H13NO3S2

>  <MolWeight> (1,628)
319.39862

>  <Item Name> (1,628)
Epalrestat

>  <Catalog Number> (1,628)
S2035 

>  <Synonyms> (1,628)
N/A

>  <Target> (1,628)
Others

>  <Form> (1,628)
Free Base

>  <URL> (1,628)
http://www.selleckchem.com/products/epalrestat.html

>  <CAS Number> (1,628)
82159-09-9

$$$$
Tranexamic acid.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,629)
1629

>  <Formula> (1,629)
C8H15NO2

>  <MolWeight> (1,629)
157.2102

>  <Item Name> (1,629)
Tranexamic acid (Transamin)

>  <Catalog Number> (1,629)
S1875

>  <Synonyms> (1,629)
Cyklokapron 

>  <Form> (1,629)
Free Base

>  <URL> (1,629)
http://www.selleckchem.com/products/tranexamic-acid-transamin.html

>  <CAS Number> (1,629)
1197-18-8

$$$$
NADIDE.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,630)
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S2518

>  <Synonyms> (1,630)
N/A

>  <Target> (1,630)
Others

>  <Form> (1,630)
Free Base

>  <URL> (1,630)
http://www.selleckchem.com/products/nad.html

>  <CAS Number> (1,630)
53-84-9

$$$$
Streptomycin sulfate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,631)
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>  <Formula> (1,631)
C42H84N14O36S3

>  <MolWeight> (1,631)
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>  <Item Name> (1,631)
Streptomycin sulfate

>  <Catalog Number> (1,631)
S2572

>  <Synonyms> (1,631)
N/A

>  <Target> (1,631)
Antifection

>  <Form> (1,631)
1.5 Sulfate

>  <URL> (1,631)
http://www.selleckchem.com/products/streptomycin-sulfate.html

>  <CAS Number> (1,631)
3810-74-0 

$$$$
Clindamycin phosphate.cdx
csChFnd80/01151910432D

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Clindamycin phosphate

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S2048

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N/A

>  <Target> (1,632)
Antifection

>  <Form> (1,632)
Free Base

>  <URL> (1,632)
http://www.selleckchem.com/products/clindamycin-phosphate.html

>  <CAS Number> (1,632)
24729-96-2

$$$$
Etidronate.cdx
csChFnd80/01151910432D

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Etidronate (Didronel)

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S1857

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N/A 

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phosphatase

>  <Form> (1,633)
Free Base

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http://www.selleckchem.com/products/etidronate-didronel.html

>  <CAS Number> (1,633)
2809-21-4

$$$$
Lornoxicam.cdx
csChFnd80/01151910432D

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1634

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C13H10ClN3O4S2

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Lornoxicam (Xefo)

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COX

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Free Base

>  <URL> (1,634)
http://www.selleckchem.com/products/lornoxicam-xefo.html

>  <CAS Number> (1,634)
70374-39-9

$$$$
OMNISCAN (gadodiamide).cdx
csChFnd80/01151910432D

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1635

>  <Formula> (1,635)
C16H28GdN5O9

>  <MolWeight> (1,635)
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>  <Item Name> (1,635)
Gadodiamide Hydrate

>  <Catalog Number> (1,635)
S1751

>  <Synonyms> (1,635)
Omniscan

>  <Target> (1,635)
Others

>  <Form> (1,635)
Hydrate

>  <URL> (1,635)
http://www.selleckchem.com/products/Gadodiamide(Omniscan).html

>  <CAS Number> (1,635)
122795-43-1

$$$$
Plerixafor 8HCl.cdx
csChFnd80/01151910432D

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 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
  9 22  1  0  0  0  0
  7  9  1  0  0  0  0
 23 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
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 23 36  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,636)
1636

>  <Formula> (1,636)
C28H62Cl8N8

>  <MolWeight> (1,636)
794.46948

>  <Item Name> (1,636)
Plerixafor 8HCl (DB06809)

>  <Catalog Number> (1,636)
S3013 

>  <Synonyms> (1,636)
AMD3100 

>  <Target> (1,636)
CXCR

>  <Form> (1,636)
Octahydrochloride 

>  <URL> (1,636)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

>  <CAS Number> (1,636)
155148-31-5

$$$$
Leucovorin Calcium.cdx
csChFnd80/01151910432D

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   13.3621    8.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5746    8.2813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9994    8.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5746   11.0813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0184    3.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3184    2.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 28 32  2  0  0  0  0
 28 33  1  0  0  0  0
 30 34  2  0  0  0  0
M  END
>  <Mol_ID> (1,637)
1637

>  <Formula> (1,637)
C20H31CaN7O12

>  <MolWeight> (1,637)
601.57784

>  <Item Name> (1,637)
Leucovorin Calcium Pentahydrate

>  <Catalog Number> (1,637)
S1236

>  <Synonyms> (1,637)
Calcium, Calcium Folinatc, Citrovorum Factor 

>  <Target> (1,637)
Others

>  <Form> (1,637)
Hydrate

>  <URL> (1,637)
http://www.selleckchem.com/products/Leucovorin-Calcium.html

>  <CAS Number> (1,637)
6035-45-6

$$$$
Ibandronate sodium.cdx
csChFnd80/01151910432D

 21 18  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.9573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    5.8697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    5.5673    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.9631    4.4948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1862    6.4033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1460    2.4528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1710    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    8.5043    0.3646    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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,638)
1638

>  <Formula> (1,638)
C9H25NNaO8P2

>  <MolWeight> (1,638)
360.233992

>  <Item Name> (1,638)
Ibandronate sodium

>  <Catalog Number> (1,638)
S3148

>  <Synonyms> (1,638)
N/A 

>  <Target> (1,638)
Others

>  <Form> (1,638)
Sodium

>  <URL> (1,638)
http://www.selleckchem.com/products/ibandronate-sodium.html

>  <CAS Number> (1,638)
138926-19-9

$$$$
L-Arginine hydrochloride.cdx
csChFnd80/01151910432D

 13 11  0  0  0  0  0  0  0  0999 V2000
    8.4871    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.1342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.7342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.7342    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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  1 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,639)
1639

>  <Formula> (1,639)
C6H15ClN4O2

>  <MolWeight> (1,639)
210.6619

>  <Item Name> (1,639)
L-Arginine HCl

>  <Catalog Number> (1,639)
S3174

>  <Synonyms> (1,639)
N/A 

>  <Target> (1,639)
NOS

>  <Form> (1,639)
HCl

>  <URL> (1,639)
http://www.selleckchem.com/products/l-Arginine-hydrochloride.html

>  <CAS Number> (1,639)
1119-34-2

$$$$
Thiamine hydrochloride.cdx
csChFnd80/01151910432D

 20 19  0  0  0  0  0  0  0  0999 V2000
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    6.5805    3.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9348    5.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9728    3.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7957    2.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1881    2.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,640)
1640

>  <Formula> (1,640)
C12H18Cl2N4OS

>  <MolWeight> (1,640)
337.26852

>  <Item Name> (1,640)
Thiamine HCl (Vitamin B1)

>  <Catalog Number> (1,640)
S3211

>  <Synonyms> (1,640)
N/A

>  <Target> (1,640)
Vitamin

>  <Form> (1,640)
Hydrochloride

>  <URL> (1,640)
http://www.selleckchem.com/products/thiamine-hcl-vitamin-b1.html

>  <CAS Number> (1,640)
67-03-8

$$$$
Palonosetron HCl.cdx
csChFnd80/01151910432D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.1996    5.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1005    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7998    5.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6998    1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0992    1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8997    6.2632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6150    3.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2994    3.8382    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0804    5.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,641)
1641

>  <Formula> (1,641)
C19H25ClN2O

>  <MolWeight> (1,641)
332.8676

>  <Item Name> (1,641)
Palonosetron HCl

>  <Catalog Number> (1,641)
S3050

>  <Synonyms> (1,641)
N/A 

>  <Target> (1,641)
5-HT Receptor

>  <Form> (1,641)
HCL

>  <URL> (1,641)
http://www.selleckchem.com/products/palonosetron-hcl.html

>  <CAS Number> (1,641)
135729-62-3

$$$$
Solifenacin succinate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,642)
1642

>  <Formula> (1,642)
C27H32N2O6

>  <MolWeight> (1,642)
480.55278

>  <Item Name> (1,642)
Solifenacin succinate

>  <Catalog Number> (1,642)
S3048

>  <Synonyms> (1,642)
N/A

>  <Target> (1,642)
AChR

>  <Form> (1,642)
Succinate

>  <URL> (1,642)
http://www.selleckchem.com/products/solifenacin-succinate.html

>  <CAS Number> (1,642)
242478-38-2

$$$$
Besifloxacin HCl.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,643)
1643

>  <Formula> (1,643)
C19H22Cl2FN3O3

>  <MolWeight> (1,643)
430.3006832

>  <Item Name> (1,643)
Besifloxacin HCl (Besivance)

>  <Catalog Number> (1,643)
S3055

>  <Synonyms> (1,643)
N/A

>  <Target> (1,643)
Others

>  <Form> (1,643)
Hydrochloride

>  <URL> (1,643)
http://www.selleckchem.com/products/besifloxacin-hci.html

>  <CAS Number> (1,643)
405165-61-9

$$$$
P505-15.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,644)
1644

>  <Formula> (1,644)
C19H24ClN9O

>  <MolWeight> (1,644)
429.90656

>  <Item Name> (1,644)
PRT062607 (P505-15, PRT2607, BIIB057) HCl

>  <Catalog Number> (1,644)
S8032

>  <Synonyms> (1,644)
N/A

>  <Target> (1,644)
Syk

>  <Form> (1,644)
Hydrochloride

>  <URL> (1,644)
https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

>  <CAS Number> (1,644)
1370261-97-4,1370261-96-3(free base)

$$$$
Batimastat (BB-94).cdx
csChFnd80/01151910432D

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137-88-2

$$$$
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>  <URL> (1,649)
http://www.selleckchem.com/products/bacitracin.html

>  <CAS Number> (1,649)
1405-87-4

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ALK

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http://www.selleckchem.com/products/ldk378.html

>  <CAS Number> (1,650)
1032900-25-6

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1651

>  <Formula> (1,651)
C28H36F2N8O3S

>  <MolWeight> (1,651)
602.6990464

>  <Item Name> (1,651)
abemaciclib (LY2835219)

>  <Catalog Number> (1,651)
S7158

>  <Synonyms> (1,651)
N/A

>  <Target> (1,651)
CDK

>  <Form> (1,651)
Mesylate

>  <URL> (1,651)
http://www.selleckchem.com/products/ly2835219.html

>  <CAS Number> (1,651)
1231930-82-7

$$$$
Ceftriaxone sodium trihydrate.cdx
csChFnd80/01151910432D

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 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> (1,652)
1652

>  <Formula> (1,652)
C18H16N8Na2O7RS3

>  <MolWeight> (1,652)
598.54358

>  <Item Name> (1,652)
Ceftriaxone Sodium Trihydrate

>  <Catalog Number> (1,652)
S4158

>  <Synonyms> (1,652)
N/A

>  <Target> (1,652)
Antifection

>  <Form> (1,652)
Free Base

>  <URL> (1,652)
http://www.selleckchem.com/products/ceftriaxone-sodium-trihydrate.html

>  <CAS Number> (1,652)
104376-79-6

$$$$
Chloroquine phosphate.cdx
csChFnd80/01151910432D

 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
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    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
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    1.2120    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,653)
1653

>  <Formula> (1,653)
C18H32ClN3O8P2

>  <MolWeight> (1,653)
515.862502

>  <Item Name> (1,653)
Chloroquine Phosphate

>  <Catalog Number> (1,653)
S4157

>  <Synonyms> (1,653)
N/A

>  <Target> (1,653)
Others

>  <Form> (1,653)
Diphosphate

>  <URL> (1,653)
http://www.selleckchem.com/products/chloroquine-phosphate.html

>  <CAS Number> (1,653)
50-63-5

$$$$
Chlortetracycline HCl.cdx
csChFnd80/01151910432D

 35 37  0  0  0  0  0  0  0  0999 V2000
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 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> (1,654)
1654

>  <Formula> (1,654)
C22H24Cl2N2O8

>  <MolWeight> (1,654)
515.34056

>  <Item Name> (1,654)
Chlortetracycline HCl

>  <Catalog Number> (1,654)
S4156

>  <Synonyms> (1,654)
N/A

>  <Target> (1,654)
Antifection

>  <Form> (1,654)
Hydrochloride

>  <URL> (1,654)
http://www.selleckchem.com/products/chlortetracycline-hcl.html

>  <CAS Number> (1,654)
64-72-2

$$$$
Eprazinone 2HCl.cdx
csChFnd80/01151910432D

 30 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,655)
1655

>  <Formula> (1,655)
C24H34Cl2N2O2

>  <MolWeight> (1,655)
453.44496

>  <Item Name> (1,655)
Eprazinone 2HCl

>  <Catalog Number> (1,655)
S4137

>  <Synonyms> (1,655)
N/A

>  <Target> (1,655)
Free Base

>  <Form> (1,655)
HCl

>  <URL> (1,655)
http://www.selleckchem.com/products/eprazinone-2hcl.html

>  <CAS Number> (1,655)
10402-53-6

$$$$
Sodium gluconate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,656)
1656

>  <Formula> (1,656)
C6H11NaO7

>  <MolWeight> (1,656)
218.13711

>  <Item Name> (1,656)
Sodium Gluconate

>  <Catalog Number> (1,656)
S4174

>  <Synonyms> (1,656)
N/A

>  <Target> (1,656)
Others

>  <Form> (1,656)
Sodium salt

>  <URL> (1,656)
http://www.selleckchem.com/products/sodium-gluconate.html

>  <CAS Number> (1,656)
527-07-1

$$$$
>  <Mol_ID> (1,657)
1657

>  <Item Name> (1,657)
Capreomycin Sulfate

>  <Catalog Number> (1,657)
S4234

>  <Synonyms> (1,657)
N/A

>  <Target> (1,657)
Antifection

>  <Form> (1,657)
Sulfate

>  <URL> (1,657)
http://www.selleckchem.com/products/capreomycin-sulfate.html

>  <CAS Number> (1,657)
1405-37-4

$$$$
D-Phenylalanine.cdx
csChFnd80/01151910432D

 12 12  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    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
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M  END
>  <Mol_ID> (1,658)
1658

>  <Formula> (1,658)
C9H11NO2

>  <MolWeight> (1,658)
165.18914

>  <Item Name> (1,658)
D-Phenylalanine

>  <Catalog Number> (1,658)
S4153

>  <Synonyms> (1,658)
N/A

>  <Target> (1,658)
Others

>  <Form> (1,658)
Free Base

>  <URL> (1,658)
http://www.selleckchem.com/products/d-phenylalanine.html

>  <CAS Number> (1,658)
673-06-3

$$$$
Nefopam HCl.cdx
csChFnd80/01151910432D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,659)
1659

>  <Formula> (1,659)
C17H20ClNO

>  <MolWeight> (1,659)
289.7998

>  <Item Name> (1,659)
Nefopam HCl

>  <Catalog Number> (1,659)
S4180

>  <Synonyms> (1,659)
N/A

>  <Target> (1,659)
Others

>  <Form> (1,659)
Hydrochloride

>  <URL> (1,659)
http://www.selleckchem.com/products/nefopam-hcl.html

>  <CAS Number> (1,659)
23327-57-3

$$$$
Paromomycin Sulfate.cdx
csChFnd80/01151910432D

 50 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,660)
1660

>  <Formula> (1,660)
C23H47N5O18S

>  <MolWeight> (1,660)
713.70698

>  <Item Name> (1,660)
Paromomycin Sulfate

>  <Catalog Number> (1,660)
S4183

>  <Synonyms> (1,660)
N/A

>  <Target> (1,660)
Antifection

>  <Form> (1,660)
Sulfate

>  <URL> (1,660)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (1,660)
1263-89-4

$$$$

csChFnd80/01151910432D

 37 40  0  0  0  0  0  0  0  0999 V2000
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   17.5290    5.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6077    0.0024    0.0000 N   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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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  2 15  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 21  2  0  0  0  0
 22 23  2  0  0  0  0
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 35 30  1  0  0  0  0
 23 36  1  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <Mol_ID> (1,661)
1661

>  <Formula> (1,661)
C26H24N6O4S

>  <MolWeight> (1,661)
516.57156

>  <Item Name> (1,661)
Proflavine Hemisulfate

>  <Catalog Number> (1,661)
S4236

>  <Synonyms> (1,661)
N/A

>  <Target> (1,661)
Antifection

>  <Form> (1,661)
Sulfate

>  <URL> (1,661)
http://www.selleckchem.com/products/proflavine-hemisulfate.html

>  <CAS Number> (1,661)
1811-28-5

$$$$
Sodium ascorbate.cdx
csChFnd80/01151910432D

 14 13  0  0  0  0  0  0  0  0999 V2000
    3.5442    4.2732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5442    2.8683    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8803    2.4342    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7061    3.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8803    4.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1061    3.5707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3129    1.1027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    2.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    5.0961    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1326    4.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    6.4884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7632    5.6559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5613    0.0000    0.0000 Na  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
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  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  6  0  0  0
  1 13  1  6  0  0  0
M  END
>  <Mol_ID> (1,662)
1662

>  <Formula> (1,662)
C6H10NaO6

>  <MolWeight> (1,662)
201.12977

>  <Item Name> (1,662)
Sodium ascorbate

>  <Catalog Number> (1,662)
S4245

>  <Synonyms> (1,662)
N/A

>  <Target> (1,662)
Vitamin

>  <Form> (1,662)
Sodium Salt

>  <URL> (1,662)
http://www.selleckchem.com/products/sodium-ascorbate.html

>  <CAS Number> (1,662)
134-03-2

$$$$
Bismuth subcitrate potassium.cdx
csChFnd80/01151910432D

 32 24  0  0  0  0  0  0  0  0999 V2000
    8.5664    2.9021    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7788    3.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9870    2.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7788    4.9972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1953    3.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9870    1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995    2.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5476    3.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5341    4.2263    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.9086    1.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
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   14.5917    5.6146    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
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    1.3476    2.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7624    2.9962    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
  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
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 26 27  2  0  0  0  0
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 23 29  1  0  0  0  0
 21 30  1  0  0  0  0
 30 23  1  0  0  0  0
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 24 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,663)
1663

>  <Formula> (1,663)
C12H10BiK5O14+2

>  <MolWeight> (1,663)
782.67128

>  <Item Name> (1,663)
Bismuth Subcitrate Potassium

>  <Catalog Number> (1,663)
S4093

>  <Synonyms> (1,663)
N/A

>  <Target> (1,663)
Antifection

>  <Form> (1,663)
Potassium salt

>  <URL> (1,663)
http://www.selleckchem.com/products/bismuth-subcitrate-potassium.html

>  <CAS Number> (1,663)
880149-29-1

$$$$
Clodronate disodium.cdx
csChFnd80/01151910432D

 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> (1,664)
1664

>  <Formula> (1,664)
CH2Cl2Na2O6P2

>  <MolWeight> (1,664)
288.856042

>  <Item Name> (1,664)
Clodronate Disodium

>  <Catalog Number> (1,664)
S4108

>  <Synonyms> (1,664)
N/A

>  <Target> (1,664)
Others

>  <Form> (1,664)
Disodium salt

>  <URL> (1,664)
http://www.selleckchem.com/products/clodronate-disodium.html

>  <CAS Number> (1,664)
22560-50-5, 10596-23-3(free base)

$$$$
Colistin sulfate.cdx
csChFnd80/01151910432D

187182  0  0  0  0  0  0  0  0999 V2000
   18.8613   24.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   16.0613   26.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0613   24.0834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6613   24.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   27.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4661   26.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1661   27.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5661   27.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661   28.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   30.1456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.4661   28.9331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661   31.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9661   30.1456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   25.1661   30.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8661   31.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8661   38.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0661   33.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7661   32.5705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6661   33.7829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.9661   32.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6661   31.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9661   34.9953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7613   27.7207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   26.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7613   22.8710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6277   35.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4065   35.7166    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8312   35.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3887   37.1165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5922   37.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1675   37.8011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2030   35.0013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818   35.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7784   34.9706    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,665)
1665

>  <Formula> (1,665)
C104H206N32O46S5

>  <MolWeight> (1,665)
2801.26024

>  <Item Name> (1,665)
Colistin Sulfate

>  <Catalog Number> (1,665)
S4029

>  <Synonyms> (1,665)
N/A

>  <Target> (1,665)
Antifection

>  <Form> (1,665)
Sulfate

>  <URL> (1,665)
http://www.selleckchem.com/products/colistin-sulfate.html

>  <CAS Number> (1,665)
1264-72-8

$$$$
MLN-4924.cdx
csChFnd80/01151910432D

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C21H25N5O4S

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Pevonedistat (MLN4924)

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>  <Synonyms> (1,666)
N/A

>  <Target> (1,666)
E1 Activating

>  <Form> (1,666)
Free Base

>  <URL> (1,666)
http://www.selleckchem.com/products/mln-4924.html

>  <CAS Number> (1,666)
905579-51-3

$$$$
Ribostamycin Sulfate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,667)
1667

>  <Formula> (1,667)
C17H36N4O14S

>  <MolWeight> (1,667)
552.55114

>  <Item Name> (1,667)
Ribostamycin Sulfate

>  <Catalog Number> (1,667)
S4215

>  <Synonyms> (1,667)
N/A

>  <Target> (1,667)
Antifection

>  <Form> (1,667)
Sulfate

>  <URL> (1,667)
http://www.selleckchem.com/products/ribostamycin-sulfate.html

>  <CAS Number> (1,667)
53797-35-6

$$$$
tetramisole hydrochloride.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,668)
1668

>  <Formula> (1,668)
C11H13ClN2S

>  <MolWeight> (1,668)
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>  <Item Name> (1,668)
Tetramisole HCl

>  <Catalog Number> (1,668)
S4094

>  <Synonyms> (1,668)
N/A

>  <Target> (1,668)
Antifection

>  <Form> (1,668)
Hydrochloride

>  <URL> (1,668)
http://www.selleckchem.com/products/tetramisole-hcl.html

>  <CAS Number> (1,668)
5086-74-8, 5036-02-2(free base)

$$$$
Vitamin A palmitate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,669)
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>  <Formula> (1,669)
C36H60O2

>  <MolWeight> (1,669)
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>  <Item Name> (1,669)
Vitamin A Palmitate

>  <Catalog Number> (1,669)
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>  <Synonyms> (1,669)
N/A

>  <Target> (1,669)
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>  <Form> (1,669)
Free Base

>  <URL> (1,669)
http://www.selleckchem.com/products/vitamin-a-palmitate.html

>  <CAS Number> (1,669)
79-81-2 

$$$$
14028-44-5.cdx
csChFnd80/01151910432D

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Amoxapine

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>  <Synonyms> (1,670)
N/A

>  <Target> (1,670)
GlyT

>  <Form> (1,670)
Free Base

>  <URL> (1,670)
http://www.selleckchem.com/products/amoxapine.html

>  <CAS Number> (1,670)
14028-44-5

$$$$
Minocycline hydrochloride.cdx
csChFnd80/01151910432D

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1671

>  <Formula> (1,671)
C23H28ClN3O7

>  <MolWeight> (1,671)
493.93732

>  <Item Name> (1,671)
Minocycline HCl

>  <Catalog Number> (1,671)
S4226

>  <Synonyms> (1,671)
N/A

>  <Target> (1,671)
Antifectio

>  <Form> (1,671)
Hydrochloride

>  <URL> (1,671)
http://www.selleckchem.com/products/minocycline-hcl.html

>  <CAS Number> (1,671)
13614-98-7

$$$$
192441-08-0.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,672)
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>  <Formula> (1,672)
C10H8BrN5OS

>  <MolWeight> (1,672)
326.17242

>  <Item Name> (1,672)
Lomeguatrib

>  <Catalog Number> (1,672)
S8056

>  <Synonyms> (1,672)
PaTrin-2

>  <Target> (1,672)
DNA Methyltransferase

>  <Form> (1,672)
Free Base

>  <URL> (1,672)
http://www.selleckchem.com/products/lomeguatrib.html

>  <CAS Number> (1,672)
192441-08-0

$$$$
Apramycin Sulfate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,673)
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>  <Formula> (1,673)
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>  <MolWeight> (1,673)
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>  <Item Name> (1,673)
Apramycin Sulfate

>  <Catalog Number> (1,673)
S4254

>  <Synonyms> (1,673)
N/A

>  <Target> (1,673)
Antifection

>  <Form> (1,673)
Sulfate

>  <URL> (1,673)
http://www.selleckchem.com/products/apramycin-sulfate.html

>  <CAS Number> (1,673)
65710-07-8

$$$$
EPZ005687.cdx
csChFnd80/01151910432D

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Histone Methyltransferase

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Free Base

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http://www.selleckchem.com/products/epz005687.html

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1396772-26-1

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>  <Synonyms> (1,675)
N/A

>  <Target> (1,675)
PPAR¦Ä

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free base

>  <URL> (1,675)
http://selleckchem.com/products/.html

>  <CAS Number> (1,675)
317318-70-0

$$$$
CEPHALEXIN (cephalexin).cdx
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C16H17N3O4S

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Cephalexin (Cefalexin)

>  <Catalog Number> (1,676)
S1502

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Cefalexin, Alcephin, Cefablan, keflex,Cefadin, Tepaxin

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Antifection

>  <Form> (1,676)
Free Base

>  <URL> (1,676)
http://www.selleckchem.com/products/Cephalexin-(Cefalexin).html

>  <CAS Number> (1,676)
15686-71-2

$$$$
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Binimetinib (MEK162, ARRY-162, ARRY-438162)

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N/A

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MEK

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Free Base

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http://www.selleckchem.com/products/mek162.html

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606143-89-9

$$$$
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M  END
>  <Mol_ID> (1,678)
1678

>  <Formula> (1,678)
C24H26N4O

>  <MolWeight> (1,678)
386.48944

>  <Item Name> (1,678)
TIC10 analogue

>  <Catalog Number> (1,678)
S7127

>  <Synonyms> (1,678)
TRAIL-inducing Compound 10

>  <Target> (1,678)
Akt

>  <Form> (1,678)
Free Base

>  <URL> (1,678)
http://www.selleckchem.com/products/tic10.html

>  <CAS Number> (1,678)
41276-02-2

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,679)
1679

>  <Formula> (1,679)
C22H22ClN5O2

>  <MolWeight> (1,679)
423.89538

>  <Item Name> (1,679)
I-BET-762

>  <Catalog Number> (1,679)
S7189

>  <Synonyms> (1,679)
GSK525762, GSK525762A

>  <Target> (1,679)
Epigenetic Reader Domain

>  <Form> (1,679)
Free Base

>  <URL> (1,679)
http://www.selleckchem.com/products/i-bet-762.html

>  <CAS Number> (1,679)
1260907-17-2

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/01151910432D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1641    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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 13 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,680)
1680

>  <Formula> (1,680)
C16H10BrN3O2

>  <MolWeight> (1,680)
356.1735

>  <Item Name> (1,680)
BIO

>  <Catalog Number> (1,680)
S7198

>  <Synonyms> (1,680)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (1,680)
GSK-3

>  <Form> (1,680)
Free Base

>  <URL> (1,680)
http://www.selleckchem.com/products/bio.html

>  <CAS Number> (1,680)
667463-62-9

$$$$
Fosbretabulin disodium (Combretastatin A-4 phosphate disodium, CA4P disodium).cdxÿÿÿél`t
csChFnd80/01151910432D

 29 28  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
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  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,681)
1681

>  <Formula> (1,681)
C18H19Na2O8P

>  <MolWeight> (1,681)
440.291961

>  <Item Name> (1,681)
Fosbretabulin (Combretastatin A4 Phosphate, 

>  <Catalog Number> (1,681)
S7204

>  <Synonyms> (1,681)
N/A

>  <Target> (1,681)
Microtubule Associated

>  <Form> (1,681)
Disodium salt

>  <URL> (1,681)
http://www.selleckchem.com/products/fosbretabulin-disodium-combretastatin-a-4-phosphate-dis

>  <CAS Number> (1,681)
168555-66-6

$$$$
¦Â-Lapachone (ARQ-501).cdx
csChFnd80/01151910432D

 18 20  0  0  0  0  0  0  0  0999 V2000
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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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M  END
>  <Mol_ID> (1,682)
1682

>  <Formula> (1,682)
C15H14O3

>  <MolWeight> (1,682)
242.26986

>  <Item Name> (1,682)
Beta-Lapachone

>  <Catalog Number> (1,682)
S7261

>  <Synonyms> (1,682)
¦Â-Lapachone, ARQ-501

>  <Target> (1,682)
Topoisomerase

>  <Form> (1,682)
Free Base

>  <URL> (1,682)
http://www.selleckchem.com/products/beta-lapachone.html

>  <CAS Number> (1,682)
4707-32-8

$$$$
AZD1981.cdx
csChFnd80/01151910432D

 26 28  0  0  0  0  0  0  0  0999 V2000
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GPR

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$$$$
Bardoxolone Methyl.cdx
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I¦ÊB/IKK

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http://www.selleckchem.com/products/bardoxolone-methyl.html

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218600-53-4

$$$$
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>  <Formula> (1,685)
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>  <MolWeight> (1,685)
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>  <Target> (1,685)
EGFR

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Free Base

>  <URL> (1,685)
http://www.selleckchem.com/products/co-1686.html

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1374640-70-6

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
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M  END
>  <Mol_ID> (1,686)
1686

>  <Formula> (1,686)
C24H27Cl2N5O

>  <MolWeight> (1,686)
472.41008

>  <Item Name> (1,686)
Dorsomorphin (Compound C) 2HCl

>  <Catalog Number> (1,686)
S7306

>  <Synonyms> (1,686)
BML-275,Compound C

>  <Target> (1,686)
AMPK

>  <Form> (1,686)
Dihydrochloride

>  <URL> (1,686)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

>  <CAS Number> (1,686)
1219168-18-9

$$$$
Aceclidine Hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,687)
1687

>  <Formula> (1,687)
C9H16ClNO2

>  <MolWeight> (1,687)
205.68184

>  <Item Name> (1,687)
Aceclidine Hydrochloride

>  <Catalog Number> (1,687)
S4301

>  <Synonyms> (1,687)
N/A

>  <Target> (1,687)
Others

>  <Form> (1,687)
Hydrochloride

>  <URL> (1,687)
http://www.selleckchem.com/products/atenolol.html

>  <CAS Number> (1,687)
56715-13-0

$$$$
aminacrine.cdx
csChFnd80/01151910432D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,688)
1688

>  <Formula> (1,688)
C13H10N2

>  <MolWeight> (1,688)
194.2319

>  <Item Name> (1,688)
9-Aminoacridine
9-Aminoacridine
Aminoacrid

>  <Catalog Number> (1,688)
S4303

>  <Synonyms> (1,688)
Aminacrine

>  <Target> (1,688)
Others

>  <Form> (1,688)
Free Base

>  <URL> (1,688)
http://www.selleckchem.com/products/9-aminoacridine.html

>  <CAS Number> (1,688)
90-45-9

$$$$
anisindione.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,689)
1689

>  <Formula> (1,689)
C16H12O3

>  <MolWeight> (1,689)
252.26468

>  <Item Name> (1,689)
anisindione

>  <Catalog Number> (1,689)
S4304

>  <Synonyms> (1,689)
N/A

>  <Target> (1,689)
Others

>  <Form> (1,689)
Free Base

>  <URL> (1,689)
http://www.selleckchem.com/products/anisindione.html

>  <CAS Number> (1,689)
117-37-3

$$$$
>  <Mol_ID> (1,690)
1690

>  <Item Name> (1,690)
anisotropine methylbromide

>  <Catalog Number> (1,690)
S4305

>  <Synonyms> (1,690)
N/A

>  <Target> (1,690)
Others

>  <Form> (1,690)
methylbromide

>  <URL> (1,690)
http://www.selleckchem.com/products/anisotropine-methylbromide.html

>  <CAS Number> (1,690)
80-50-2

$$$$
bendroflumethiazide.cdx
csChFnd80/01151910432D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,691)
1691

>  <Formula> (1,691)
C15H14F3N3O4S2

>  <MolWeight> (1,691)
421.4145696

>  <Item Name> (1,691)
bendroflumethiazide

>  <Catalog Number> (1,691)
S4387

>  <Synonyms> (1,691)
Bendrofluazide

>  <Target> (1,691)
Others

>  <Form> (1,691)
Free Base

>  <URL> (1,691)
http://www.selleckchem.com/products/bendroflumethiazide.html

>  <CAS Number> (1,691)
73-48-3

$$$$
bentiromide.cdx
csChFnd80/01151910432D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,692)
1692

>  <Formula> (1,692)
C23H20N2O5

>  <MolWeight> (1,692)
404.4153

>  <Item Name> (1,692)
bentiromide

>  <Catalog Number> (1,692)
S4388

>  <Synonyms> (1,692)
N/A

>  <Target> (1,692)
Others

>  <Form> (1,692)
Free Base

>  <URL> (1,692)
http://www.selleckchem.com/products/bentiromide.html

>  <CAS Number> (1,692)
37106-97-1

$$$$
benzthiazide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,693)
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>  <Formula> (1,693)
C15H14ClN3O4S3

>  <MolWeight> (1,693)
431.93736

>  <Item Name> (1,693)
benzthiazide

>  <Catalog Number> (1,693)
S4308

>  <Synonyms> (1,693)
Benzothiazide

>  <Target> (1,693)
Others

>  <Form> (1,693)
Free Base

>  <URL> (1,693)
http://www.selleckchem.com/products/benzthiazide.html

>  <CAS Number> (1,693)
91-33-8

$$$$
bephenium hydroxynaphthoate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,694)
1694

>  <Formula> (1,694)
C28H29NO4

>  <MolWeight> (1,694)
443.53416

>  <Item Name> (1,694)
bephenium hydroxynaphthoate

>  <Catalog Number> (1,694)
S4389

>  <Synonyms> (1,694)
N/A

>  <Target> (1,694)
Others

>  <Form> (1,694)
hydroxynaphthoa

>  <URL> (1,694)
http://www.selleckchem.com/products/bephenium-hydroxynaphthoate.html

>  <CAS Number> (1,694)
3818-50-6

$$$$
brucine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,695)
1695

>  <Formula> (1,695)
C23H30N2O9S

>  <MolWeight> (1,695)
510.5573

>  <Item Name> (1,695)
Brucine sulfate salt hydrate

>  <Catalog Number> (1,695)
S4390

>  <Synonyms> (1,695)
N/A

>  <Target> (1,695)
Others

>  <Form> (1,695)
sulphate
sulph

>  <URL> (1,695)
http://www.selleckchem.com/products/brucine.html

>  <CAS Number> (1,695)
652154-10-4

$$$$
calcium gluceptate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,696)
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>  <Formula> (1,696)
C14H26CaO16

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Calcium Gluceptate

>  <Catalog Number> (1,696)
S4311 

>  <Synonyms> (1,696)
N/A

>  <Target> (1,696)
Others

>  <Form> (1,696)
Gluceptate

>  <URL> (1,696)
http://www.selleckchem.com/products/calcium-gluceptate.html

>  <CAS Number> (1,696)
17140-60-2

$$$$
camylofine chlorhydrate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,697)
1697

>  <Formula> (1,697)
C19H34Cl2N2O2

>  <MolWeight> (1,697)
393.39146

>  <Item Name> (1,697)
camylofine chlorhydrate

>  <Catalog Number> (1,697)
S4391

>  <Synonyms> (1,697)
Camylofine Chlorhydrate

>  <Target> (1,697)
Others

>  <Form> (1,697)
chlorhydrate

>  <URL> (1,697)
http://www.selleckchem.com/products/camylofin-chlorhydrate.html

>  <CAS Number> (1,697)
54-30-8

$$$$
carbachol.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,698)
1698

>  <Formula> (1,698)
C6H15ClN2O2

>  <MolWeight> (1,698)
182.6485

>  <Item Name> (1,698)
carbachol

>  <Catalog Number> (1,698)
S4359

>  <Synonyms> (1,698)
Carbamylcholine

>  <Target> (1,698)
Others

>  <Form> (1,698)
Chloride

>  <URL> (1,698)
http://www.selleckchem.com/products/carbachol.html

>  <CAS Number> (1,698)
51-83-2

$$$$
carbadox.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,699)
1699

>  <Formula> (1,699)
C11H10N4O4

>  <MolWeight> (1,699)
262.2215

>  <Item Name> (1,699)
carbadox

>  <Catalog Number> (1,699)
S4312

>  <Synonyms> (1,699)
N/A

>  <Target> (1,699)
Others

>  <Form> (1,699)
Free Base

>  <URL> (1,699)
http://www.selleckchem.com/products/carbadox.html

>  <CAS Number> (1,699)
6804-07-5

$$$$
Carbenoxolone disodiuM.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,700)
1700

>  <Formula> (1,700)
C34H48Na2O7

>  <MolWeight> (1,700)
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>  <Item Name> (1,700)
Carbenoxolone disodiuM

>  <Catalog Number> (1,700)
S4368

>  <Synonyms> (1,700)
N/A

>  <Target> (1,700)
Others

>  <Form> (1,700)
disodiuM

>  <URL> (1,700)
http://www.selleckchem.com/products/carbenoxolone-sodium.html

>  <CAS Number> (1,700)
7421-40-1

$$$$
ceftazidime pentahydrate.cdx
csChFnd80/01151910432D

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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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  1  6  1  0  0  0  0
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  2  9  1  0  0  0  0
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 13 18  2  0  0  0  0
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  8 19  2  0  0  0  0
 21 22  2  0  0  0  0
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 20 21  1  0  0  0  0
  7 20  1  6  0  0  0
  6 38  1  1  0  0  0
M  END
>  <Mol_ID> (1,701)
1701

>  <Formula> (1,701)
C22H32N6O12S2

>  <MolWeight> (1,701)
636.65248

>  <Item Name> (1,701)
ceftazidime pentahydrate

>  <Catalog Number> (1,701)
S4314

>  <Synonyms> (1,701)
N/A

>  <Target> (1,701)
Others

>  <Form> (1,701)
Pentahydrate

>  <URL> (1,701)
http://www.selleckchem.com/products/ceftazidime-pentahydrate.html

>  <CAS Number> (1,701)
78439-06-2

$$$$
cephapirin sodium.cdx
csChFnd80/01151910432D

 29 30  0  0  0  0  0  0  0  0999 V2000
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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  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
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 17 20  1  0  0  0  0
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 20 23  1  0  0  0  0
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 23 25  2  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
M  END
>  <Mol_ID> (1,702)
1702

>  <Formula> (1,702)
C17H16N3NaO6S2

>  <MolWeight> (1,702)
445.44521

>  <Item Name> (1,702)
cephapirin sodium

>  <Catalog Number> (1,702)
S4393 

>  <Synonyms> (1,702)
Cefapirin Sodium

>  <Target> (1,702)
Others

>  <Form> (1,702)
sodium

>  <URL> (1,702)
http://www.selleckchem.com/products/cephapirin-sodium.html

>  <CAS Number> (1,702)
24356-60-3

$$$$
cinoxacin.cdx
csChFnd80/01151910432D

 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
    2.4170    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6298    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  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
  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
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  3 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,703)
1703

>  <Formula> (1,703)
C12H10N2O5

>  <MolWeight> (1,703)
262.2182

>  <Item Name> (1,703)
cinoxacin

>  <Catalog Number> (1,703)
S4361 

>  <Synonyms> (1,703)
N/A

>  <Target> (1,703)
Others

>  <Form> (1,703)
Free Base

>  <URL> (1,703)
http://www.selleckchem.com/products/cinoxacin.html

>  <CAS Number> (1,703)
28657-80-9

$$$$
clofoctol.cdx
csChFnd80/01151910432D

 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
    1.3787    4.8156    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
  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
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 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> (1,704)
1704

>  <Formula> (1,704)
C21H26Cl2O

>  <MolWeight> (1,704)
365.33654

>  <Item Name> (1,704)
clofoctol

>  <Catalog Number> (1,704)
S4394 

>  <Synonyms> (1,704)
N/A

>  <Target> (1,704)
Others

>  <Form> (1,704)
Free Base

>  <URL> (1,704)
http://www.selleckchem.com/products/clofoctol.html

>  <CAS Number> (1,704)
37693-01-9

$$$$
DicycloMine Hydrochloride.cdx
csChFnd80/01151910432D

 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
    2.8000    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0366    4.9206    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
  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
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  7 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 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,705)
1705

>  <Formula> (1,705)
C19H36ClNO2

>  <MolWeight> (1,705)
345.94764

>  <Item Name> (1,705)
DicycloMine  Hydrochloride

>  <Catalog Number> (1,705)
S4373 

>  <Synonyms> (1,705)
Dicycloverine HCl

>  <Target> (1,705)
Others

>  <Form> (1,705)
Hydrochloride

>  <URL> (1,705)
http://www.selleckchem.com/products/dicyclomine-hcl.html

>  <CAS Number> (1,705)
67-92-5

$$$$
diperodon hydrochloride.cdx
csChFnd80/01151910432D

 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
    0.0000    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
    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
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M  END
>  <Mol_ID> (1,706)
1706

>  <Formula> (1,706)
C22H28ClN3O4

>  <MolWeight> (1,706)
433.92842

>  <Item Name> (1,706)
diperodon hydrochloride

>  <Catalog Number> (1,706)
S4397

>  <Synonyms> (1,706)
N/A

>  <Target> (1,706)
Others

>  <Form> (1,706)
hydrochloride

>  <URL> (1,706)
http://www.selleckchem.com/products/diperodon-hcl.html

>  <CAS Number> (1,706)
537-12-2

$$$$
diphenylpyraline hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,707)
1707

>  <Formula> (1,707)
C19H24ClNO

>  <MolWeight> (1,707)
317.85296

>  <Item Name> (1,707)
diphenylpyraline hydrochloride

>  <Catalog Number> (1,707)
S4321 

>  <Synonyms> (1,707)
N/A

>  <Target> (1,707)
Others

>  <Form> (1,707)
hydrochloride

>  <URL> (1,707)
http://www.selleckchem.com/products/diphenylpyraline-hcl.html

>  <CAS Number> (1,707)
132-18-3

$$$$
ethoxzolamide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,708)
1708

>  <Formula> (1,708)
C9H10N2O3S2

>  <MolWeight> (1,708)
258.3173

>  <Item Name> (1,708)
ethoxzolamide

>  <Catalog Number> (1,708)
S4326 

>  <Synonyms> (1,708)
N/A

>  <Target> (1,708)
Others

>  <Form> (1,708)
Free Base

>  <URL> (1,708)
http://www.selleckchem.com/products/ethoxzolamide.html

>  <CAS Number> (1,708)
452-35-7

$$$$
fosfomycin tromethamine .cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,709)
1709

>  <Formula> (1,709)
C7H18NO7P

>  <MolWeight> (1,709)
259.194081

>  <Item Name> (1,709)
fosfomycin tromethamine

>  <Catalog Number> (1,709)
S4385 

>  <Synonyms> (1,709)
Phosphomycin Tromethamine, Phosphonomycin Tromethamine 

>  <Target> (1,709)
Others

>  <Form> (1,709)
tromethamine

>  <URL> (1,709)
http://www.selleckchem.com/products/fosfomycin-tromethamine.html

>  <CAS Number> (1,709)
78964-85-9

$$$$
glafenine hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,710)
1710

>  <Formula> (1,710)
C19H18Cl2N2O4

>  <MolWeight> (1,710)
409.26322

>  <Item Name> (1,710)
glafenine hydrochloride

>  <Catalog Number> (1,710)
S4362 

>  <Synonyms> (1,710)
N/A

>  <Target> (1,710)
Others

>  <Form> (1,710)
hydrochloride

>  <URL> (1,710)
http://www.selleckchem.com/products/glafenine-hcl.html

>  <CAS Number> (1,710)
65513-72-6

$$$$
IMipraMine hydrochloride.cdx
csChFnd80/01151910432D

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  6  7  1  0  0  0  0
  7  1  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
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  3 12  1  0  0  0  0
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  2 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
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,711)
1711

>  <Formula> (1,711)
C19H25ClN2

>  <MolWeight> (1,711)
316.8682

>  <Item Name> (1,711)
IMipraMine hydrochloride

>  <Catalog Number> (1,711)
S4377 

>  <Synonyms> (1,711)
Melipramine HCl

>  <Target> (1,711)
Others

>  <Form> (1,711)
hydrochloride

>  <URL> (1,711)
http://www.selleckchem.com/products/imipramine-hcl.html

>  <CAS Number> (1,711)
113-52-0

$$$$
isoetharine mesylate.cdx
csChFnd80/01151910432D

 22 21  0  0  0  0  0  0  0  0999 V2000
    2.1000    7.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    7.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    6.6601    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.3000    7.8726    0.0000 O   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
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    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
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  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
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  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
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,712)
1712

>  <Formula> (1,712)
C14H25NO6S

>  <MolWeight> (1,712)
335.4164

>  <Item Name> (1,712)
isoetharine mesylate

>  <Catalog Number> (1,712)
S4330 

>  <Synonyms> (1,712)
N/A

>  <Target> (1,712)
Others

>  <Form> (1,712)
mesylate

>  <URL> (1,712)
http://www.selleckchem.com/products/isoetharine-mesylate.html

>  <CAS Number> (1,712)
7279-75-6

$$$$
isoxicam.cdx
csChFnd80/01151910432D

 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
    0.0000    1.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6453    1.0698    0.0000 S   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  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
  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
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
 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> (1,713)
1713

>  <Formula> (1,713)
C14H13N3O5S

>  <MolWeight> (1,713)
335.33512

>  <Item Name> (1,713)
isoxicam

>  <Catalog Number> (1,713)
S4398 

>  <Synonyms> (1,713)
N/A

>  <Target> (1,713)
Others

>  <Form> (1,713)
Free Base

>  <URL> (1,713)
http://www.selleckchem.com/products/isoxicam.html

>  <CAS Number> (1,713)
34552-84-6

$$$$
mepenzolate bromide.cdx
csChFnd80/01151910432D

 26 27  0  0  0  0  0  0  0  0999 V2000
    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    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
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    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
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    2.4249    3.5000    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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  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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  8 12  2  0  0  0  0
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 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,714)
1714

>  <Formula> (1,714)
C21H26BrNO3

>  <MolWeight> (1,714)
420.34004

>  <Item Name> (1,714)
mepenzolate bromide

>  <Catalog Number> (1,714)
S4375 

>  <Synonyms> (1,714)
N/A

>  <Target> (1,714)
Others

>  <Form> (1,714)
bromide

>  <URL> (1,714)
http://www.selleckchem.com/products/mepenzolate-bromide.html

>  <CAS Number> (1,714)
76-90-4

$$$$
mepiroxol.cdx
csChFnd80/01151910432D

  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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    1.2447    0.0000    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
M  END
>  <Mol_ID> (1,715)
1715

>  <Formula> (1,715)
C6H7NO2

>  <MolWeight> (1,715)
125.12528

>  <Item Name> (1,715)
mepiroxol

>  <Catalog Number> (1,715)
S4333 

>  <Synonyms> (1,715)
N/A

>  <Target> (1,715)
Others

>  <Form> (1,715)
Free Base

>  <URL> (1,715)
http://www.selleckchem.com/products/mepiroxol.html

>  <CAS Number> (1,715)
6968-72-5

$$$$
mesoridazine besylate.cdx
csChFnd80/01151910432D

 36 39  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
    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
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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
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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> (1,716)
1716

>  <Formula> (1,716)
C27H32N2O4S3

>  <MolWeight> (1,716)
544.74898

>  <Item Name> (1,716)
mesoridazine besylate

>  <Catalog Number> (1,716)
S4334 

>  <Synonyms> (1,716)
N/A

>  <Target> (1,716)
Others

>  <Form> (1,716)
besylate

>  <URL> (1,716)
http://www.selleckchem.com/products/mesoridazine-besylate.html

>  <CAS Number> (1,716)
32672-69-8

$$$$
metaproterenol sulfate(orciprenaline sulfate).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,717)
1717

>  <Formula> (1,717)
C22H36N2O10S

>  <MolWeight> (1,717)
520.59364

>  <Item Name> (1,717)
metaproterenol sulfate

>  <Catalog Number> (1,717)
S4335 

>  <Synonyms> (1,717)
Orciprenaline Sulfate

>  <Target> (1,717)
Others

>  <Form> (1,717)
sulfate

>  <URL> (1,717)
http://www.selleckchem.com/products/metaproterenol-sulfate.html

>  <CAS Number> (1,717)
5874-97-5

$$$$
metaraminol bitartrate.cdx
csChFnd80/01151910432D

 22 21  0  0  0  0  0  0  0  0999 V2000
    3.6458    6.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,718)
1718

>  <Formula> (1,718)
C13H19NO8

>  <MolWeight> (1,718)
317.29186

>  <Item Name> (1,718)
metaraminol bitartrate

>  <Catalog Number> (1,718)
S4336 

>  <Synonyms> (1,718)
Metaradrine Bitartrate

>  <Target> (1,718)
Others

>  <Form> (1,718)
bitartrate

>  <URL> (1,718)
http://www.selleckchem.com/products/metaraminol-bitartrate.html

>  <CAS Number> (1,718)
33402-03-8

$$$$
meticrane.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,719)
1719

>  <Formula> (1,719)
C10H13NO4S2

>  <MolWeight> (1,719)
275.34452

>  <Item Name> (1,719)
meticrane

>  <Catalog Number> (1,719)
S4339 

>  <Synonyms> (1,719)
N/A

>  <Target> (1,719)
Others

>  <Form> (1,719)
Free Base

>  <URL> (1,719)
http://www.selleckchem.com/products/meticrane.html

>  <CAS Number> (1,719)
1084-65-7

$$$$
Misoprostol.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,720)
1720

>  <Formula> (1,720)
C22H38O5

>  <MolWeight> (1,720)
382.53412

>  <Item Name> (1,720)
Misoprostol

>  <Catalog Number> (1,720)
S4415 

>  <Synonyms> (1,720)
N/A

>  <Target> (1,720)
Others

>  <Form> (1,720)
Free Base

>  <URL> (1,720)
http://www.selleckchem.com/products/misoprostol.html

>  <CAS Number> (1,720)
59122-46-2

$$$$
nalmefene hydrochloride.cdx
csChFnd80/01151910432D

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M  END
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>  <Formula> (1,721)
C21H26ClNO3

>  <MolWeight> (1,721)
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>  <Item Name> (1,721)
nalmefene hydrochloride

>  <Catalog Number> (1,721)
S4341 

>  <Synonyms> (1,721)
N/A

>  <Target> (1,721)
Others

>  <Form> (1,721)
hydrochloride

>  <URL> (1,721)
http://www.selleckchem.com/products/nalmefene-hcl.html

>  <CAS Number> (1,721)
58895-64-0

$$$$
nialamide.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,722)
1722

>  <Formula> (1,722)
C16H18N4O2

>  <MolWeight> (1,722)
298.33972

>  <Item Name> (1,722)
nialamide

>  <Catalog Number> (1,722)
S4342 

>  <Synonyms> (1,722)
N/A

>  <Target> (1,722)
Others

>  <Form> (1,722)
Free Base

>  <URL> (1,722)
http://www.selleckchem.com/products/nialamide.html

>  <CAS Number> (1,722)
51-12-7

$$$$
nicotine ditartrate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,723)
1723

>  <Formula> (1,723)
C18H26N2O12

>  <MolWeight> (1,723)
462.40524

>  <Item Name> (1,723)
nicotine ditartrate

>  <Catalog Number> (1,723)
S4370

>  <Synonyms> (1,723)
http://www.selleckchem.com/products/nicotiN/A

>  <Target> (1,723)
Others

>  <Form> (1,723)
ditartrate

>  <URL> (1,723)
http://www.selleckchem.com/products/nicotine-ditartrate.html

>  <CAS Number> (1,723)
65-31-6

$$$$
nifenazone.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,724)
1724

>  <Formula> (1,724)
C17H16N4O2

>  <MolWeight> (1,724)
308.33454

>  <Item Name> (1,724)
nifenazone

>  <Catalog Number> (1,724)
S4401 

>  <Synonyms> (1,724)
N/A

>  <Target> (1,724)
Others

>  <Form> (1,724)
Free Base

>  <URL> (1,724)
http://www.selleckchem.com/products/nifenazone.html

>  <CAS Number> (1,724)
2139-47-1

$$$$
untitled.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,725)
1725

>  <Formula> (1,725)
C26H41NO10

>  <MolWeight> (1,725)
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>  <Item Name> (1,725)
oxelaidin citrate

>  <Catalog Number> (1,725)
S4402

>  <Synonyms> (1,725)
N/A

>  <Target> (1,725)
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>  <Form> (1,725)
citrate

>  <URL> (1,725)
http://www.selleckchem.com/products/oxeladin-citrate.html

>  <CAS Number> (1,725)
52432-72-1

$$$$
pasiniazid.cdx
csChFnd80/01151910432D

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C13H14N4O4

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pasiniazid

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S4404 

>  <Synonyms> (1,726)
N/A

>  <Target> (1,726)
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>  <Form> (1,726)
Isonicotinic 

>  <URL> (1,726)
http://www.selleckchem.com/products/pasiniazid.html

>  <CAS Number> (1,726)
2066-89-9

$$$$
pentoxifylline.cdx
csChFnd80/01151910432D

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>  <Formula> (1,727)
C13H18N4O3

>  <MolWeight> (1,727)
278.30702

>  <Item Name> (1,727)
pentoxifylline

>  <Catalog Number> (1,727)
S4345 

>  <Synonyms> (1,727)
N/A

>  <Target> (1,727)
Others

>  <Form> (1,727)
Free Base

>  <URL> (1,727)
http://www.selleckchem.com/products/pentoxifylline.html

>  <CAS Number> (1,727)
6493-05-6

$$$$
phthalylsulfacetamide.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,728)
1728

>  <Formula> (1,728)
C16H14N2O6S

>  <MolWeight> (1,728)
362.35716

>  <Item Name> (1,728)
phthalylsulfacetamide

>  <Catalog Number> (1,728)
S4365 

>  <Synonyms> (1,728)
N/A

>  <Target> (1,728)
Others

>  <Form> (1,728)
Free Base

>  <URL> (1,728)
http://www.selleckchem.com/products/phthalylsulfacetamide.html

>  <CAS Number> (1,728)
131-69-1

$$$$
pimozide.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,729)
1729

>  <Formula> (1,729)
C28H29F2N3O

>  <MolWeight> (1,729)
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>  <Item Name> (1,729)
pimozide

>  <Catalog Number> (1,729)
S4358 

>  <Synonyms> (1,729)
N/A

>  <Target> (1,729)
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>  <Form> (1,729)
Free Base

>  <URL> (1,729)
http://www.selleckchem.com/products/pimozide.html

>  <CAS Number> (1,729)
2062-78-4

$$$$
piromidic acid.cdx
csChFnd80/01151910432D

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1730

>  <Formula> (1,730)
C14H16N4O3

>  <MolWeight> (1,730)
288.30184

>  <Item Name> (1,730)
piromidic acid

>  <Catalog Number> (1,730)
S4348 

>  <Synonyms> (1,730)
N/A

>  <Target> (1,730)
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>  <Form> (1,730)
Free Base

>  <URL> (1,730)
http://www.selleckchem.com/products/piromidic-acid.html

>  <CAS Number> (1,730)
19562-30-2

$$$$
proadifen hydrochloride .cdx
csChFnd80/01151910432D

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   10.9119    4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.5292    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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 12  7  1  0  0  0  0
  3 13  1  0  0  0  0
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 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> (1,731)
1731

>  <Formula> (1,731)
C23H32ClNO2

>  <MolWeight> (1,731)
389.95868

>  <Item Name> (1,731)
proadifen hydrochloride

>  <Catalog Number> (1,731)
S4381 

>  <Synonyms> (1,731)
SKF 525-A HCl

>  <Target> (1,731)
Others

>  <Form> (1,731)
hydrochloride

>  <URL> (1,731)
http://www.selleckchem.com/products/proadifen-hcl.html

>  <CAS Number> (1,731)
62-68-0

$$$$
procodazole.cdx
csChFnd80/01151910432D

 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
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    0.9977    2.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,732)
1732

>  <Formula> (1,732)
C10H10N2O2

>  <MolWeight> (1,732)
190.1986

>  <Item Name> (1,732)
procodazole

>  <Catalog Number> (1,732)
S4408 

>  <Synonyms> (1,732)
N/A

>  <Target> (1,732)
Others

>  <Form> (1,732)
Free Base

>  <URL> (1,732)
http://www.selleckchem.com/products/procodazole.html

>  <CAS Number> (1,732)
23249-97-0

$$$$
procyclidine hydrochloride.cdx
csChFnd80/01151910432D

 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
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    7.3331    2.2533    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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  4  7  1  0  0  0  0
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 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  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
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,733)
1733

>  <Formula> (1,733)
C19H30ClNO

>  <MolWeight> (1,733)
323.9006

>  <Item Name> (1,733)
procyclidine hydrochloride

>  <Catalog Number> (1,733)
S4349 

>  <Synonyms> (1,733)
N/A

>  <Target> (1,733)
Others

>  <Form> (1,733)
hydrochloride

>  <URL> (1,733)
http://www.selleckchem.com/products/procyclidine-hcl.html

>  <CAS Number> (1,733)
1508-76-5

$$$$
ractopamine hydrochloride.cdx
csChFnd80/01151910432D

 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
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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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  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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 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> (1,734)
1734

>  <Formula> (1,734)
C18H24ClNO3

>  <MolWeight> (1,734)
337.84106

>  <Item Name> (1,734)
ractopamine hydrochloride

>  <Catalog Number> (1,734)
S4351 

>  <Synonyms> (1,734)
N/A

>  <Target> (1,734)
Others

>  <Form> (1,734)
hydrochloride

>  <URL> (1,734)
http://www.selleckchem.com/products/ractopamine-hcl.html

>  <CAS Number> (1,734)
90274-24-1

$$$$
SodiuM 4-aMinohippurate hydrate.cdx
csChFnd80/01151910432D

 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
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    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
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 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,735)
1735

>  <Formula> (1,735)
C9H9N2NaO3

>  <MolWeight> (1,735)
216.16913

>  <Item Name> (1,735)
SodiuM 4-aMinohippurate hydrate

>  <Catalog Number> (1,735)
S4414 

>  <Synonyms> (1,735)
N/A

>  <Target> (1,735)
Others

>  <Form> (1,735)
Sodium

>  <URL> (1,735)
http://www.selleckchem.com/products/sodium-4-aminohippurate-hydrate.html

>  <CAS Number> (1,735)
94-16-6

$$$$
tacrine hydrochlorid.cdx
csChFnd80/01151910432D

 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
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    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
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  1  2  1  0  0  0  0
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 10  5  2  0  0  0  0
  8 11  1  0  0  0  0
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 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,736)
1736

>  <Formula> (1,736)
C13H15ClN2

>  <MolWeight> (1,736)
234.7246

>  <Item Name> (1,736)
tacrine hydrochlorid

>  <Catalog Number> (1,736)
S4357 

>  <Synonyms> (1,736)
N/A

>  <Target> (1,736)
Others

>  <Form> (1,736)
hydrochlorid

>  <URL> (1,736)
http://www.selleckchem.com/products/tacrine-hcl.html

>  <CAS Number> (1,736)
1684-40-8

$$$$
terfenadine.cdx
csChFnd80/01151910432D

 35 38  0  0  0  0  0  0  0  0999 V2000
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1737

>  <Formula> (1,737)
C32H41NO2

>  <MolWeight> (1,737)
471.67344

>  <Item Name> (1,737)
terfenadine

>  <Catalog Number> (1,737)
S4353 

>  <Synonyms> (1,737)
N/A

>  <Target> (1,737)
Others

>  <Form> (1,737)
Free Base

>  <URL> (1,737)
http://www.selleckchem.com/products/terfenadine.html

>  <CAS Number> (1,737)
50679-08-8

$$$$
Thioridazine hydrochloride.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,738)
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>  <Formula> (1,738)
C21H27ClN2S2

>  <MolWeight> (1,738)
407.03548

>  <Item Name> (1,738)
Thioridazine hydrochloride

>  <Catalog Number> (1,738)
S5563

>  <Synonyms> (1,738)
Aldazine, Mellaril

>  <Target> (1,738)
Others

>  <Form> (1,738)
hydrochloride 

>  <URL> (1,738)
http://selleckchem.com/products/thioridazine-hydrochloride.html

>  <CAS Number> (1,738)
130-61-0

$$$$
Ebastine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,739)
1739

>  <Formula> (1,739)
C32H39NO2

>  <MolWeight> (1,739)
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>  <Item Name> (1,739)
Ebastine

>  <Catalog Number> (1,739)
S4262 

>  <Synonyms> (1,739)
N/A

>  <Target> (1,739)
Others

>  <Form> (1,739)
Free Base

>  <URL> (1,739)
http://www.selleckchem.com/products/ebastine.html

>  <CAS Number> (1,739)
90729-43-4

$$$$
BMS-833923 (XL139).cdx
csChFnd80/01151910432D

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519055-62-0

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$$$$
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937272-79-2

$$$$
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C22H18N6

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366.41852

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Rilpivirine

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S7303

>  <Synonyms> (1,749)
R278474, TMC278

>  <Target> (1,749)
Reverse Transcriptase

>  <Form> (1,749)
Free Base

>  <URL> (1,749)
http://www.selleckchem.com/products/rilpivirine.html

>  <CAS Number> (1,749)
500287-72-9

$$$$
KPT-330.cdx
csChFnd80/01151910432D

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1750

>  <Formula> (1,750)
C17H11F6N7O

>  <MolWeight> (1,750)
443.3059592

>  <Item Name> (1,750)
Selinexor (KPT-330)

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S7252 

>  <Synonyms> (1,750)
N/A

>  <Target> (1,750)
CRM1

>  <Form> (1,750)
Free Base

>  <URL> (1,750)
http://www.selleckchem.com/products/kpt-330.html

>  <CAS Number> (1,750)
1393477-72-9

$$$$
Caffeic acid phenethyl ester(CAPE).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,751)
1751

>  <Formula> (1,751)
C17H16O4

>  <MolWeight> (1,751)
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>  <Item Name> (1,751)
Caffeic acid phenethyl ester(CAPE)

>  <Catalog Number> (1,751)
S7414

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CAPE, Phenylethyl Caffeate

>  <Target> (1,751)
NF-¦ÊB

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Free Base

>  <URL> (1,751)
http://www.selleckchem.com/products/caffeic-acid-phenethyl-ester.html

>  <CAS Number> (1,751)
104594-70-9

$$$$
LGK-974.cdx
csChFnd80/01151910432D

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1752

>  <Formula> (1,752)
C23H20N6O

>  <MolWeight> (1,752)
396.4445

>  <Item Name> (1,752)
LGK-974

>  <Catalog Number> (1,752)
S7143

>  <Synonyms> (1,752)
N/A

>  <Target> (1,752)
Wnt/beta-catenin

>  <Form> (1,752)
Free Base

>  <URL> (1,752)
http://www.selleckchem.com/products/lgk-974.html

>  <CAS Number> (1,752)
1243244-14-5

$$$$
guanethidine sulfate.cdx
csChFnd80/01151910432D

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guanethidine sulfate

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S4328

>  <Synonyms> (1,753)
N/A

>  <Target> (1,753)
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>  <Form> (1,753)
sulfate

>  <URL> (1,753)
http://www.selleckchem.com/products/guanethidine-sulfate.html

>  <CAS Number> (1,753)
60-02-6

$$$$
Aceclidine Hydrochloride.cdx
csChFnd80/01151910432D

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C9H16ClNO2

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Aceclidine HCl

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S4376

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N/A

>  <Target> (1,754)
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hydrochloride

>  <URL> (1,754)
http://www.selleckchem.com/products/aceclidine-hcl.html

>  <CAS Number> (1,754)
6109-70-2

$$$$
Difluoxacin hydrochloride .cdx
csChFnd80/01151910432D

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>  <Formula> (1,755)
C21H20ClF2N3O3

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Difloxacin HCl

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S4384

>  <Synonyms> (1,755)
N/A

>  <Target> (1,755)
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>  <Form> (1,755)
hydrochloride

>  <URL> (1,755)
http://www.selleckchem.com/products/difloxacin-hcl.html

>  <CAS Number> (1,755)
91296-86-5

$$$$
VE-822.cdx
csChFnd80/01151910432D

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>  <Formula> (1,756)
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VE-822

>  <Catalog Number> (1,756)
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>  <Target> (1,756)
ATM/ATR

>  <Form> (1,756)
Free Base

>  <URL> (1,756)
http://www.selleckchem.com/products/ve-822.html

>  <CAS Number> (1,756)
1232416-25-9

$$$$
LEE011-2.cdx
csChFnd80/01151910432D

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Ribociclib (LEE011)

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N/A

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CDK

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Free Base

>  <URL> (1,757)
http://www.selleckchem.com/products/lee011.html

>  <CAS Number> (1,757)
1211441-98-3

$$$$
E-64d(Aloxistatin,Loxistatin£©.cdx
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E-64d

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Cysteine Protease

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Free Base

>  <URL> (1,758)
http://www.selleckchem.com/products/Aloxistatin.html

>  <CAS Number> (1,758)
88321-09-9

$$$$
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DNA/RNA Synthesis

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Free Base

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

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236392-56-6

$$$$
LGX818.cdx
csChFnd80/01151910432D

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>  <Formula> (1,760)
C22H27ClFN7O4S

>  <MolWeight> (1,760)
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>  <Item Name> (1,760)
Encorafenib (LGX818)

>  <Catalog Number> (1,760)
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>  <Synonyms> (1,760)
N/A

>  <Target> (1,760)
Raf

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Free Base

>  <URL> (1,760)
http://www.selleckchem.com/products/lgx818.html

>  <CAS Number> (1,760)
1269440-17-6

$$$$
OTX015.cdx
csChFnd80/01151910432D

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$$$$
GS-9973.cdx
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Phospholipase (e.g. PLA)

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356057-34-6

$$$$
EMD 1214063.cdx
csChFnd80/01151910432D

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c-Met

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1100598-32-0

$$$$
Puromycin dihydrochloride.cdx
csChFnd80/01151910432D

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Puromycin 2HCl

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Antifection

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Dihydrochloride

>  <URL> (1,769)
http://www.selleckchem.com/products/Puromycin-2HCl.html

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58-58-2

$$$$
BAY57-1293.cdx
csChFnd80/01151910432D

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Pritelivir (BAY 57-1293)

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N/A

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DNA/RNA Synthesis

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>  <URL> (1,770)
http://www.selleckchem.com/products/bay-57-1293.html

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348086-71-5

$$$$
BMS863233.cdx
csChFnd80/01151910432D

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1771

>  <Formula> (1,771)
C14H13Cl2N3O2

>  <MolWeight> (1,771)
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>  <Item Name> (1,771)
XL413 (BMS-863233)

>  <Catalog Number> (1,771)
S7547

>  <Synonyms> (1,771)
N/A

>  <Target> (1,771)
CDK

>  <Form> (1,771)
Free Base

>  <URL> (1,771)
http://www.selleckchem.com/products/xl413-bms-863233.html

>  <CAS Number> (1,771)
1169562-71-3

$$$$
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>  <Synonyms> (1,772)
FK463 Sodium

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Antifection

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Sodium Salt

>  <URL> (1,772)
http://www.selleckchem.com/products/micafungin-sodium.html

>  <CAS Number> (1,772)
208538-73-2

$$$$
Zotarolimus.cdx
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Zotarolimus (ABT-578)

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N/A

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mTOR

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Free Base

>  <URL> (1,773)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

>  <CAS Number> (1,773)
221877-54-9

$$$$
N6022.cdx
csChFnd80/01151910432D

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N/A

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Free Base

>  <URL> (1,774)
http://www.selleckchem.com/products/n6022.html

>  <CAS Number> (1,774)
1208315-24-5

$$$$
Amifostine .cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,775)
1775

>  <Formula> (1,775)
C5H21N2O6PS

>  <MolWeight> (1,775)
268.268801

>  <Item Name> (1,775)
Amifostine

>  <Catalog Number> (1,775)
S4298

>  <Synonyms> (1,775)
N/A

>  <Target> (1,775)
Others

>  <Form> (1,775)
Trihydrate

>  <URL> (1,775)
http://www.selleckchem.com/products/amifostine.html

>  <CAS Number> (1,775)
112901-68-5

$$$$
Biapenem.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,776)
1776

>  <Formula> (1,776)
C15H18N4O4S

>  <MolWeight> (1,776)
350.39282

>  <Item Name> (1,776)
Biapenem

>  <Catalog Number> (1,776)
S1370

>  <Synonyms> (1,776)
L-627, LJC10627

>  <Target> (1,776)
Antifection

>  <Form> (1,776)
Free Base

>  <URL> (1,776)
http://www.selleckchem.com/products/Biapenem.html

>  <CAS Number> (1,776)
120410-24-4

$$$$
Caspofungin acetate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,777)
1777

>  <Formula> (1,777)
C56H96N10O19

>  <MolWeight> (1,777)
1213.41704

>  <Item Name> (1,777)
Caspofungin Acetate

>  <Catalog Number> (1,777)
S3073

>  <Synonyms> (1,777)
N/A

>  <Target> (1,777)
Antifection

>  <Form> (1,777)
diacetate

>  <URL> (1,777)
http://www.selleckchem.com/products/caspofungin-acetate.html

>  <CAS Number> (1,777)
179463-17-3

$$$$
INVEGA (paliperidone).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,778)
1778

>  <Formula> (1,778)
C23H27FN4O3

>  <MolWeight> (1,778)
426.4838832

>  <Item Name> (1,778)
Paliperidone

>  <Catalog Number> (1,778)
S1724

>  <Synonyms> (1,778)
N/A

>  <Target> (1,778)
Dopamine Receptor

>  <Form> (1,778)
Free Base

>  <URL> (1,778)
http://www.selleckchem.com/products/Paliperidone(Invega).html

>  <CAS Number> (1,778)
144598-75-4

$$$$
Teicoplanin.cdx
csChFnd80/01151910432D

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A  185
?R:?
M  END
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Teichomycin

>  <Target> (1,779)
Antifection

>  <Form> (1,779)
Free Base

>  <URL> (1,779)
http://www.selleckchem.com/products/Teicoplanin.html

>  <CAS Number> (1,779)
61036-62-2

$$$$
Lomitapide.cdx
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>  <Mol_ID> (1,780)
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>  <Target> (1,780)
Others

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Free Base

>  <URL> (1,780)
http://www.selleckchem.com/products/lomitapide.html

>  <CAS Number> (1,780)
182431-12-5

$$$$
filgotinib.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,781)
1781

>  <Formula> (1,781)
C21H23N5O3S

>  <MolWeight> (1,781)
425.50402

>  <Item Name> (1,781)
Filgotinib£¨GLPG0643)

>  <Catalog Number> (1,781)
S7605

>  <Synonyms> (1,781)
N/A

>  <Target> (1,781)
JAK

>  <Form> (1,781)
Free Base

>  <URL> (1,781)
http://www.selleckchem.com/products/filgotinib.html

>  <CAS Number> (1,781)
1206161-97-8

$$$$
Erythromycin cyclocarbonate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,782)
1782

>  <Formula> (1,782)
C38H65NO14

>  <MolWeight> (1,782)
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>  <Item Name> (1,782)
Erythromycin Cyclocarbonate

>  <Catalog Number> (1,782)
S7550

>  <Synonyms> (1,782)
N/A

>  <Target> (1,782)
Antifection

>  <Form> (1,782)
Free Base

>  <URL> (1,782)
http://www.selleckchem.com/products/erythromycin-cyclocarbonate.html

>  <CAS Number> (1,782)
55224-05-0

$$$$
LCL161.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,783)
1783

>  <Formula> (1,783)
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>  <MolWeight> (1,783)
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>  <Item Name> (1,783)
LCL161

>  <Catalog Number> (1,783)
S7009

>  <Synonyms> (1,783)
N/A

>  <Target> (1,783)
IAP

>  <Form> (1,783)
Free Base

>  <URL> (1,783)
http://www.selleckchem.com/products/lcl161.html

>  <CAS Number> (1,783)
1005342-46-0

$$$$
Tasquinimod .cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,784)
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ABR-215050

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HDAC

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Free Base

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

>  <CAS Number> (1,784)
254964-60-8

$$$$
MG 101.cdx
csChFnd80/01151910432D

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MG-101 (ALLN)

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Calpain inhibitor-1

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Cysteine Protease

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Oxalate

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http://www.selleckchem.com/products/mg-101-alln.html

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110044-82-1

$$$$
LY2874455.cdx
csChFnd80/01151910432D

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C21H19Cl2N5O2

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LY2874455

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N/A

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FGFR

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Free Base

>  <URL> (1,786)
http://www.selleckchem.com/products/ly2874455.html

>  <CAS Number> (1,786)
1254473-64-7

$$$$
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 68 83  1  0  0  0  0
A   16
R
A   42
R
A   84
*
A   85
*
M  END
>  <Mol_ID> (1,787)
1787

>  <Formula> (1,787)
C33H47N3O39R4S6-8

>  <MolWeight> (1,787)
1302.11298

>  <Item Name> (1,787)
Heparin sodium

>  <Catalog Number> (1,787)
S1346

>  <Synonyms> (1,787)
N/A

>  <Target> (1,787)
Others

>  <Form> (1,787)
Sodium salt

>  <URL> (1,787)
http://www.selleckchem.com/products/Heparin-sodium.html

>  <CAS Number> (1,787)
9041-08-1

$$$$
Nedaplatin.cdx
csChFnd80/01151910432D
CFW_RXN
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  5  1  1  0  0  0  0
  3  6  2  0  0  0  0
A    7
;H3N
A    8
;H3N
M  END
>  <Mol_ID> (1,788)
1788

>  <Formula> (1,788)
R + C2H2O3Pt  -> R  [+ C2H2O3Pt]

>  <MolWeight> (1,788)
269.11348

>  <Item Name> (1,788)
Nedaplatin

>  <Catalog Number> (1,788)
S1826

>  <Synonyms> (1,788)
N/A

>  <Target> (1,788)
DNA/RNA Synthesis

>  <Form> (1,788)
Free Base

>  <URL> (1,788)
http://www.selleckchem.com/products/nedaplatin-aqupla.html

>  <CAS Number> (1,788)
95734-82-0

$$$$
Clopidol.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,789)
1789

>  <Formula> (1,789)
C7H7Cl2NO

>  <MolWeight> (1,789)
192.04258

>  <Item Name> (1,789)
Clopidol

>  <Catalog Number> (1,789)
S4142

>  <Synonyms> (1,789)
N/A

>  <Target> (1,789)
Antifection

>  <Form> (1,789)
Free Base

>  <URL> (1,789)
http://www.selleckchem.com/products/clopidol.html

>  <CAS Number> (1,789)
2971-90-6

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,790)
1790

>  <Formula> (1,790)
C20H28ClN7O3S

>  <MolWeight> (1,790)
481.99942

>  <Item Name> (1,790)
Cerdulatinib (PRT062070, PRT2070)

>  <Catalog Number> (1,790)
S7634

>  <Synonyms> (1,790)
N/A

>  <Target> (1,790)
JAK

>  <Form> (1,790)
Hydrochloride

>  <URL> (1,790)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

>  <CAS Number> (1,790)
1369761-01-2

$$$$
Obeticholic acid.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,791)
1791

>  <Formula> (1,791)
C26H44O4

>  <MolWeight> (1,791)
420.62516

>  <Item Name> (1,791)
Obeticholic Acid

>  <Catalog Number> (1,791)
S7660

>  <Synonyms> (1,791)
INT-747, 6-ECDCA

>  <Target> (1,791)
FXR

>  <Form> (1,791)
Free Base

>  <CAS Number> (1,791)
459789-99-2

$$$$
RG7388.cdx
csChFnd80/01151910432D

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N/A

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Mdm2

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Free Base

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http://www.selleckchem.com/products/idasanutlin-rg-7388.html

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1229705-06-9

$$$$
Hydroxychloroquine sulfate.cdx
csChFnd80/01151910432D

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N/A

>  <Target> (1,793)
Autophagy

>  <Form> (1,793)
Sulfate

>  <URL> (1,793)
http://www.selleckchem.com/products/hydroxychloroquine-sulfate.html

>  <CAS Number> (1,793)
747-36-4

$$$$
3469-LCZ696.cdx
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>  <Formula> (1,794)
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RAAS

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Sodium salt hydrate

>  <URL> (1,794)
http://www.selleckchem.com/products/lcz696.html

>  <CAS Number> (1,794)
936623-90-4

$$$$
PF-06463922.cdx
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ALK

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http://www.selleckchem.com/products/pf-06463922.html

>  <CAS Number> (1,795)
1454846-35-5

$$$$
Ledipasvir (GS5885) .cdx
csChFnd80/01151910432D

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1796

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C49H54F2N8O6

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Ledipasvir (GS5885)

>  <Catalog Number> (1,796)
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>  <Synonyms> (1,796)
N/A

>  <Target> (1,796)
HCV Protease

>  <Form> (1,796)
Free Base

>  <URL> (1,796)
http://www.selleckchem.com/products/ledipasvir-gs5885.html

>  <CAS Number> (1,796)
1256388-51-8

$$$$
Isepamicin sulfate.cdx
csChFnd80/01151910432D

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C22H45N5O16S

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>  <Synonyms> (1,797)
Isepamicine (Isepamycin, sch21420) Sulphate

>  <Target> (1,797)
Antifection

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Sulphate

>  <URL> (1,797)
http://www.selleckchem.com/products/isepamicin-sulphate.html

>  <CAS Number> (1,797)
67814-76-0

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/01151910432D

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AXL1717

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IGF-1R

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Free Base

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http://www.selleckchem.com/products/picropodophyllin-ppp.html

>  <CAS Number> (1,798)
477-47-4

$$$$
Defactinib.cdx
csChFnd80/01151910432D

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FAK

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Free Base

>  <URL> (1,799)
http://www.selleckchem.com/products/defactinib.html

>  <CAS Number> (1,799)
1073154-85-4

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/01151910432D

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>  <Formula> (1,800)
C23H21Cl2FN4O3

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>  <Item Name> (1,800)
Poziotinib (HM781-36B)

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NOV120101

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EGFR

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>  <URL> (1,800)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

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1092364-38-9

$$$$
Edoxaban.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,801)
1801

>  <Formula> (1,801)
C31H40ClN7O8S2

>  <MolWeight> (1,801)
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>  <Item Name> (1,801)
Edoxaban tosylate Monohydrate

>  <Catalog Number> (1,801)
S5708

>  <Form> (1,801)
tosylate hydrate

>  <CAS Number> (1,801)
1229194-11-9

$$$$
BAF312 (Siponimod).cdx
csChFnd80/01151910432D

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1802

>  <Formula> (1,802)
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>  <MolWeight> (1,802)
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>  <Item Name> (1,802)
BAF312 (Siponimod)

>  <Catalog Number> (1,802)
S7179

>  <Synonyms> (1,802)
N/A

>  <Target> (1,802)
S1P Receptor

>  <Form> (1,802)
Free Base

>  <URL> (1,802)
http://www.selleckchem.com/products/baf312-siponimod.html

>  <CAS Number> (1,802)
1230487-00-9

$$$$
GKT137831.cdx
csChFnd80/01151910432D

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1803

>  <Formula> (1,803)
C21H19ClN4O2

>  <MolWeight> (1,803)
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>  <Item Name> (1,803)
GKT137831

>  <Catalog Number> (1,803)
S7171

>  <Synonyms> (1,803)
N/A

>  <Target> (1,803)
NADPH oxidase

>  <Form> (1,803)
Free Base

>  <URL> (1,803)
http://www.selleckchem.com/products/gkt137831.html

>  <CAS Number> (1,803)
1218942-37-0

$$$$
Salirasib.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,804)
1804

>  <Formula> (1,804)
C22H30O2S

>  <MolWeight> (1,804)
358.5374

>  <Item Name> (1,804)
Salirasib

>  <Catalog Number> (1,804)
S7684

>  <Synonyms> (1,804)
N/A

>  <Target> (1,804)
Rho

>  <Form> (1,804)
Free Base

>  <URL> (1,804)
http://www.selleckchem.com/products/salirasib.html

>  <CAS Number> (1,804)
162520-00-5

$$$$
Dovitinib Lactate.cdx
csChFnd80/01151910432D

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Docetaxel Trihydrate

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>  <Synonyms> (1,809)
RP56976 (NSC 628503) Trihydrate

>  <Target> (1,809)
Microtubule Associated

>  <Form> (1,809)
Trihydrate

>  <URL> (1,809)
http://www.selleckchem.com/products/docetaxel-trihydrate.html

>  <CAS Number> (1,809)
148408-66-6

$$$$
Pemetrexed disodium hydrate.cdx
csChFnd80/01151910432D

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M  END
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Pemetrexed Disodium Hydrate

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>  <Synonyms> (1,810)
LY-231514 Disodium Hydrate

>  <Target> (1,810)
DHFR

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Disodium Hydrate

>  <URL> (1,810)
http://www.selleckchem.com/products/pemetrexed-disodium-hydrate.html

>  <CAS Number> (1,810)
357166-30-4

$$$$
LM-3572.cdx
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>  <Formula> (1,811)
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>  <Synonyms> (1,811)
SU11248

>  <Target> (1,811)
PDGFR

>  <Form> (1,811)
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>  <URL> (1,811)
http://www.selleckchem.com/products/sunitinib.html

>  <CAS Number> (1,811)
557795-19-4

$$$$
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http://www.selleckchem.com/products/elacridar-gf120918.html

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143664-11-3

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csChFnd80/01151910432D

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EGFR

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183321-74-6

$$$$
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827022-33-3, 571190-30-2(free base)

$$$$
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$$$$
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117048-59-6

$$$$
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1093403-33-8

$$$$
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850140-73-7

$$$$
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Akt

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934526-89-3

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M  END
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C16H18Cl3N5O2

>  <MolWeight> (1,823)
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>  <Item Name> (1,823)
AT7519 HCl

>  <Catalog Number> (1,823)
S7808

>  <Synonyms> (1,823)
N/A

>  <Target> (1,823)
CDK

>  <Form> (1,823)
Hydrochloride

>  <URL> (1,823)
http://www.selleckchem.com/products/at7519-hcl.html

>  <CAS Number> (1,823)
902135-91-5

$$$$
ARRY-614.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,824)
1824

>  <Formula> (1,824)
C31H33FN6O3

>  <MolWeight> (1,824)
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Pexmetinib (ARRY-614)

>  <Catalog Number> (1,824)
S7799

>  <Synonyms> (1,824)
N/A

>  <Target> (1,824)
p38 MAPK

>  <Form> (1,824)
Free Base

>  <URL> (1,824)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

>  <CAS Number> (1,824)
945614-12-0

$$$$
PLX3397.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,825)
1825

>  <Formula> (1,825)
C20H15ClF3N5

>  <MolWeight> (1,825)
417.8148096

>  <Item Name> (1,825)
Pexidartinib (PLX3397)

>  <Catalog Number> (1,825)
S7818

>  <Synonyms> (1,825)
N/A

>  <Target> (1,825)
CSF-1R

>  <Form> (1,825)
Free Base

>  <URL> (1,825)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

>  <CAS Number> (1,825)
1029044-16-3

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,826)
1826

>  <Formula> (1,826)
C21H21F3IN3O2

>  <MolWeight> (1,826)
531.3100196

>  <Item Name> (1,826)
Cobimetinib (GDC-0973, RG7420)

>  <Catalog Number> (1,826)
S8041

>  <Synonyms> (1,826)
XL518

>  <Target> (1,826)
MEK

>  <Form> (1,826)
Free Base

>  <URL> (1,826)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

>  <CAS Number> (1,826)
934660-93-2

$$$$
BVD-523.cdx
csChFnd80/01151910432D

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Ulixertinib (BVD-523, VRT752271)

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S7854

>  <Synonyms> (1,827)
N/A

>  <Target> (1,827)
ERK

>  <Form> (1,827)
Free Base

>  <URL> (1,827)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

>  <CAS Number> (1,827)
869886-67-9

$$$$
Tenofovir alafenamide.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,828)
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C21H29N6O5P

>  <MolWeight> (1,828)
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Tenofovir Alafenamide (GS-7340)

>  <Catalog Number> (1,828)
S7856

>  <Synonyms> (1,828)
N/A

>  <Target> (1,828)
Reverse Transcriptase

>  <Form> (1,828)
Free Base

>  <URL> (1,828)
http://www.selleckchem.com/products/tenofovir-alafenamide-gs-7340.html

>  <CAS Number> (1,828)
379270-37-8

$$$$
Licochalcone A.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,829)
1829

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C21H22O4

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Licochalcone A

>  <Catalog Number> (1,829)
S7828

>  <Synonyms> (1,829)
N/A

>  <Target> (1,829)
Estrogen/progestogen Receptor

>  <Form> (1,829)
Free Base

>  <URL> (1,829)
http://www.selleckchem.com/products/licochalcone-a.html

>  <CAS Number> (1,829)
58749-22-7

$$$$
Endoxifen HCl.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,830)
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>  <Formula> (1,830)
C25H28ClNO2

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>  <Item Name> (1,830)
Endoxifen HCl

>  <Catalog Number> (1,830)
S7839

>  <Synonyms> (1,830)
N/A

>  <Target> (1,830)
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>  <Form> (1,830)
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>  <URL> (1,830)
http://www.selleckchem.com/products/endoxifen-hcl.html

>  <CAS Number> (1,830)
1032008-74-4

$$$$
Dexamethasone sodium phosphate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,831)
1831

>  <Formula> (1,831)
C22H28FNa2O8P

>  <MolWeight> (1,831)
516.4046242

>  <Item Name> (1,831)
Dexamethasone Sodium Phosphate

>  <Catalog Number> (1,831)
S4028

>  <Synonyms> (1,831)
N/A

>  <Target> (1,831)
IL Receptor

>  <Form> (1,831)
Disodium salt

>  <URL> (1,831)
http://www.selleckchem.com/products/dexamethasone-sodium-phosphate.html

>  <CAS Number> (1,831)
55203-24-2

$$$$
S2597-Oseltamivir phosphate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,832)
1832

>  <Formula> (1,832)
C16H31N2O8P

>  <MolWeight> (1,832)
410.399701

>  <Item Name> (1,832)
Oseltamivir Phosphate

>  <Catalog Number> (1,832)
S2597

>  <Synonyms> (1,832)
N/A

>  <Target> (1,832)
Antifection

>  <Form> (1,832)
Phosphate salt

>  <URL> (1,832)
http://www.selleckchem.com/products/oseltamivir-phosphate-Tamiflu.html

>  <CAS Number> (1,832)
204255-11-8

$$$$
S4117.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,833)
1833

>  <Formula> (1,833)
C5H15N3O8P2

>  <MolWeight> (1,833)
307.135422

>  <Item Name> (1,833)
Histamine Phosphate

>  <Catalog Number> (1,833)
S4117

>  <Synonyms> (1,833)
N/A

>  <Target> (1,833)
Histamine Receptor

>  <Form> (1,833)
Free Base

>  <URL> (1,833)
http://www.selleckchem.com/products/histamine-phosphate.html

>  <CAS Number> (1,833)
51-74-1

$$$$
Dibutyryl-cAMP.cdx
csChFnd80/01151910432D

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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (1,834)
1834

>  <Formula> (1,834)
C18H23N5NaO8P

>  <MolWeight> (1,834)
491.367451

>  <Item Name> (1,834)
Dibutyryl-cAMP (Bucladesine)

>  <Catalog Number> (1,834)
S7858

>  <Synonyms> (1,834)
dbcAMP

>  <Target> (1,834)
PKA

>  <Form> (1,834)
sodium salt

>  <URL> (1,834)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

>  <CAS Number> (1,834)
16980-89-5

$$$$
UM171.cdx
csChFnd80/01151910432D

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>  <Catalog Number> (1,835)
S7608

>  <Synonyms> (1,835)
N/A

>  <Target> (1,835)
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>  <Form> (1,835)
Free Base

>  <URL> (1,835)
http://www.selleckchem.com/products/um171.html

>  <CAS Number> (1,835)
1448724-09-1

$$$$
Pyrilamine Maleate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,836)
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>  <Formula> (1,836)
C21H27N3O5

>  <MolWeight> (1,836)
401.45618

>  <Item Name> (1,836)
Pyrilamine maleate

>  <Catalog Number> (1,836)
S4382 

>  <Synonyms> (1,836)
Mepyramine Maleate

>  <Target> (1,836)
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>  <Form> (1,836)
maleate

>  <URL> (1,836)
http://www.selleckchem.com/products/pyrila

>  <CAS Number> (1,836)
59-33-6

$$$$
RTA 408.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,837)
1837

>  <Formula> (1,837)
C33H44F2N2O3

>  <MolWeight> (1,837)
554.7108664

>  <Item Name> (1,837)
Omaveloxolone (RTA-408)

>  <Catalog Number> (1,837)
S7672

>  <Synonyms> (1,837)
N/A

>  <Target> (1,837)
NF-¦ÊB

>  <Form> (1,837)
Free Base

>  <URL> (1,837)
http://www.selleckchem.com/products/omaveloxolone-rta-408.html

>  <CAS Number> (1,837)
1474034-05-3

$$$$
Epacadostat (INCB024360).cdx
csChFnd80/01151910432D

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1838

>  <Formula> (1,838)
C11H13BrFN7O4S

>  <MolWeight> (1,838)
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>  <Item Name> (1,838)
Epacadostat (INCB024360)

>  <Catalog Number> (1,838)
S7910

>  <Synonyms> (1,838)
N/A

>  <Target> (1,838)
IDO

>  <Form> (1,838)
Free Base

>  <URL> (1,838)
http://www.selleckchem.com/products/epacadostat-incb024360.html

>  <CAS Number> (1,838)
1204669-58-8

$$$$
BLU9931.cdx
csChFnd80/01151910432D

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ROS

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717824-30-1

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944118-01-8

$$$$
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1108743-60-7

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618385-01-6

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1431326-61-2

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144875-48-9

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csChFnd80/01151910432D

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50-07-7

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HIF

>  <Form> (1,869)
Free Base

>  <URL> (1,869)
http://www.selleckchem.com/products/fg-2216.html

>  <CAS Number> (1,869)
223387-75-5

$$$$
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csChFnd80/01151910432D

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Bcr-Abl

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926037-48-1

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/01151910432D

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C15H23ClFN3O4S

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Ripasudil (K-115)

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N/A

>  <Target> (1,871)
ROCK

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>  <URL> (1,871)
http://www.selleckchem.com/products/ripasudil-k-115.html

>  <CAS Number> (1,871)
887375-67-9

$$$$
PX-12.cdx
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141400-58-0

$$$$
Ozanimod.cdx
csChFnd80/01151910432D

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1306760-87-1

$$$$
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1154028-82-6

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STAT

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111540-00-2

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>  <URL> (1,877)
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163253-35-8, 163253-37-0 (H2O), 127254-12-0 (free ba

$$$$
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$$$$
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csChFnd80/01151910432D

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706782-28-7

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csChFnd80/01151910432D

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>  <Mol_ID> (1,881)
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>  <Formula> (1,881)
C5H13BClNO4S

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BEC Hydrochloride

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S7929

>  <Synonyms> (1,881)
N/A

>  <Target> (1,881)
Others

>  <Form> (1,881)
hydrochloride salt

>  <URL> (1,881)
http://www.selleckchem.com/products/bec-hydrochloride.html

>  <CAS Number> (1,881)
222638-67-7

$$$$
GSK2141795.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,882)
1882

>  <Formula> (1,882)
C18H16Cl2F2N4O2

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>  <Item Name> (1,882)
Uprosertib (GSK2141795)

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S7492

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GSK795

>  <Target> (1,882)
Akt

>  <Form> (1,882)
Free Base

>  <URL> (1,882)
http://www.selleckchem.com/products/gsk2141795.html

>  <CAS Number> (1,882)
1047634-65-0

$$$$
Oclacitinib maleate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,883)
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>  <Formula> (1,883)
C19H27N5O6S

>  <MolWeight> (1,883)
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>  <Item Name> (1,883)
Oclacitinib maleate

>  <Catalog Number> (1,883)
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>  <Synonyms> (1,883)
PF-03394197

>  <Target> (1,883)
JAK

>  <Form> (1,883)
Free Base

>  <URL> (1,883)
http://www.selleckchem.com/products/oclacitinib-maleate.html

>  <CAS Number> (1,883)
1640292-55-2

$$$$
ICI-118551(ICI-118,551).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,884)
1884

>  <Formula> (1,884)
C17H28ClNO2

>  <MolWeight> (1,884)
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>  <Item Name> (1,884)
ICI-118551(ICI-118,551) hydrochloride

>  <Catalog Number> (1,884)
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>  <Synonyms> (1,884)
ICI-118,551

>  <Target> (1,884)
Adrenergic Receptor

>  <Form> (1,884)
Hydrochloride

>  <URL> (1,884)
http://www.selleckchem.com/products/ici-118551-ici-118-551.html

>  <CAS Number> (1,884)
1217094-53-5

$$$$
MLN2480.cdx
csChFnd80/01151910432D

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BIIB-024

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Raf

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Free Base

>  <URL> (1,885)
http://www.selleckchem.com/products/mln2480.html

>  <CAS Number> (1,885)
1096708-71-2

$$$$
Acalabrutinib.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,886)
1886

>  <Formula> (1,886)
C26H23N7O2

>  <MolWeight> (1,886)
465.50652

>  <Item Name> (1,886)
Acalabrutinib (ACP-196)

>  <Catalog Number> (1,886)
S8116

>  <Synonyms> (1,886)
N/A

>  <Target> (1,886)
BTK

>  <Form> (1,886)
Free Base

>  <URL> (1,886)
http://www.selleckchem.com/products/acalabrutinib.html

>  <CAS Number> (1,886)
1420477-60-6

$$$$
LTX-315.cdx
csChFnd80/01151910432D

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$$$$
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839707-37-8

$$$$
AG-221 (Enasidenib).cdx
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1446502-11-9

$$$$
PRI-724.cdx
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Wnt/beta-catenin

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847591-62-2

$$$$
4-Hydroxytamoxifen (4-HT, Afimoxifene).cdx
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M  CFW   9 B_NG_STER 3
M  END
>  <Mol_ID> (1,899)
1899

>  <Formula> (1,899)
C26H29NO2

>  <MolWeight> (1,899)
387.51396

>  <Item Name> (1,899)
4-Hydroxytamoxifen

>  <Catalog Number> (1,899)
S7827

>  <Synonyms> (1,899)
Afimoxifene

>  <Target> (1,899)
Estrogen/progestogen Receptor

>  <Form> (1,899)
Free Base

>  <URL> (1,899)
http://www.selleckchem.com/products/4-hydroxytamoxifen-4-ht-afimoxifene.html

>  <CAS Number> (1,899)
68392-35-8

$$$$
Dihydrostreptomycin sulfate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,900)
1900

>  <Formula> (1,900)
C42H88N14O36S3

>  <MolWeight> (1,900)
1461.41532

>  <Item Name> (1,900)
Dihydrostreptomycin sulfate

>  <Catalog Number> (1,900)
S4523

>  <Synonyms> (1,900)
N/A

>  <Target> (1,900)
Antifection

>  <Form> (1,900)
1.5Sulfate

>  <URL> (1,900)
http://www.selleckchem.com/products/dihydrostreptomycin-sulfate.html

>  <CAS Number> (1,900)
5490-27-7

$$$$
DEET.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,901)
1901

>  <Formula> (1,901)
C12H17NO

>  <MolWeight> (1,901)
191.26948

>  <Item Name> (1,901)
DEET

>  <Catalog Number> (1,901)
S4521

>  <Synonyms> (1,901)
N,N-Diethyl-meta-toluamide, diethyltoluamide

>  <Target> (1,901)
Antifection

>  <Form> (1,901)
Free Base

>  <URL> (1,901)
http://www.selleckchem.com/products/deet.html

>  <CAS Number> (1,901)
134-62-3

$$$$
Sivelestat (ONO-5046).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,902)
1902

>  <Formula> (1,902)
C20H22N2O7S

>  <MolWeight> (1,902)
434.46288

>  <Item Name> (1,902)
Sivelestat (ONO-5046)

>  <Catalog Number> (1,902)
S8136

>  <Synonyms> (1,902)
ONO5046, LY544349, EI546

>  <Target> (1,902)
Serine Protease

>  <Form> (1,902)
Free Base

>  <URL> (1,902)
http://www.selleckchem.com/products/sivelestat-ono-5046.html

>  <CAS Number> (1,902)
127373-66-4

$$$$
Eprodisate (disodium).cdx
csChFnd80/01151910432D

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  5 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,903)
1903

>  <Formula> (1,903)
C3H6Na2O6S2

>  <MolWeight> (1,903)
248.18568

>  <Item Name> (1,903)
Eprodisate (disodium)

>  <Catalog Number> (1,903)
S4567

>  <Synonyms> (1,903)
NC-503

>  <Target> (1,903)
Others

>  <Form> (1,903)
disodium salt

>  <URL> (1,903)
http://www.selleckchem.com/products/eprodisate-disodium.html

>  <CAS Number> (1,903)
36589-58-9

$$$$
Ixabepilone (BMS-247550).cdx
csChFnd80/01151910432D

 35 37  0  0  0  0  0  0  0  0999 V2000
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 23 35  1  1  0  0  0
M  END
>  <Mol_ID> (1,904)
1904

>  <Formula> (1,904)
C27H42N2O5S

>  <MolWeight> (1,904)
506.69778

>  <Item Name> (1,904)
Ixabepilone (BMS-247550)

>  <Catalog Number> (1,904)
S7930

>  <Synonyms> (1,904)
Azaepothilone B, BMS 247550, BMS 247550-1, Ixempra

>  <Target> (1,904)
Microtubule Associated

>  <Form> (1,904)
Free Base

>  <URL> (1,904)
http://www.selleckchem.com/products/ixabepilone-bms-247550.html

>  <CAS Number> (1,904)
219989-84-1

$$$$
S4549 Antimonyl (potassium tartrate trihydrate).cdx
csChFnd80/01151910432D

 27 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,905)
1905

>  <Formula> (1,905)
C8H10K2O15Sb2

>  <MolWeight> (1,905)
667.8726

>  <Item Name> (1,905)
Antimonyl (potassium tartrate trihydrate)

>  <Catalog Number> (1,905)
S4549

>  <Synonyms> (1,905)
Tartar emetic

>  <Target> (1,905)
Others

>  <Form> (1,905)
Free Base

>  <URL> (1,905)
http://www.selleckchem.com/products/antimonyl-potassium-tartrate-trihydrate.html

>  <CAS Number> (1,905)
28300-74-5

$$$$
Tyloxapol.cdx
csChFnd80/01151910432D

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A   61
m
A   62
m
A   63
m
A   64
n
A   65
m=6-8;n<=5
M  END
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1906

>  <Formula> (1,906)
C51H80O6R5

>  <MolWeight> (1,906)
789.1773

>  <Item Name> (1,906)
Tyloxapol

>  <Catalog Number> (1,906)
S4578

>  <Synonyms> (1,906)
Triton WR1339

>  <Target> (1,906)
Others

>  <Form> (1,906)
Free Base

>  <URL> (1,906)
http://www.selleckchem.com/products/tyloxapol.html

>  <CAS Number> (1,906)
25301-02-4

$$$$
Halothane.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,907)
1907

>  <Formula> (1,907)
C2HBrClF3

>  <MolWeight> (1,907)
197.3815496

>  <Item Name> (1,907)
Halothane

>  <Catalog Number> (1,907)
S4570

>  <Synonyms> (1,907)
Narcotane

>  <Target> (1,907)
Others

>  <Form> (1,907)
Free Base

>  <URL> (1,907)
http://www.selleckchem.com/products/halothane.html

>  <CAS Number> (1,907)
151-67-7

$$$$
Triacetin.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,908)
1908

>  <Formula> (1,908)
C9H14O6

>  <MolWeight> (1,908)
218.20386

>  <Item Name> (1,908)
Triacetin

>  <Catalog Number> (1,908)
S4581

>  <Synonyms> (1,908)
	Glycerol triacetate, Glyceryl triacetate, Glycerin triacetate, 1,2,3-Triacetoxypropane

>  <Target> (1,908)
Others

>  <Form> (1,908)
Free Base

>  <URL> (1,908)
http://www.selleckchem.com/products/triacetin.html

>  <CAS Number> (1,908)
102-76-1

$$$$
AMG337.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,909)
1909

>  <Formula> (1,909)
C23H22FN7O3

>  <MolWeight> (1,909)
463.4642832

>  <Item Name> (1,909)
AMG 337

>  <Catalog Number> (1,909)
S8167

>  <Synonyms> (1,909)
N/A

>  <Target> (1,909)
c-Met

>  <Form> (1,909)
Free Base

>  <URL> (1,909)
http://www.selleckchem.com/products/amg-337.html

>  <CAS Number> (1,909)
1173699-31-4

$$$$
S4600 Benzyl alcohol.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,910)
1910

>  <Formula> (1,910)
C7H8O

>  <MolWeight> (1,910)
108.13782

>  <Item Name> (1,910)
Benzyl alcohol

>  <Catalog Number> (1,910)
S4600

>  <Synonyms> (1,910)
Phenylmethanol, Benzenemethanol, Phenylcarbinol, Benzoyl alcohol

>  <Target> (1,910)
Others

>  <Form> (1,910)
Free Base

>  <URL> (1,910)
http://www.selleckchem.com/products/benzyl-alcohol.html

>  <CAS Number> (1,910)
100-51-6

$$$$
S4599 Benzyl benzoate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,911)
1911

>  <Formula> (1,911)
C14H12O2

>  <MolWeight> (1,911)
212.24388

>  <Item Name> (1,911)
Benzyl benzoate

>  <Catalog Number> (1,911)
S4599

>  <Synonyms> (1,911)
Ascabiol, Novoscabin, Scabitox, Benzoic acid benzyl ester

>  <Target> (1,911)
Others

>  <Form> (1,911)
Free Base

>  <URL> (1,911)
http://www.selleckchem.com/products/benzyl-benzoate.html

>  <CAS Number> (1,911)
120-51-4

$$$$
S4575 Pralidoxime (chloride).cdx
csChFnd80/01151910432D

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  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,912)
1912

>  <Formula> (1,912)
C7H9ClN2O

>  <MolWeight> (1,912)
172.61216

>  <Item Name> (1,912)
Pralidoxime (chloride)

>  <Catalog Number> (1,912)
S4575

>  <Synonyms> (1,912)
2-PAM (chloride)

>  <Target> (1,912)
AChR

>  <Form> (1,912)
Free Base

>  <URL> (1,912)
http://www.selleckchem.com/products/pralidoxime-chloride.html

>  <CAS Number> (1,912)
51-15-0

$$$$
Sisomicin sulfate.cdx
csChFnd80/01151910432D

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    1.2124    5.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    9.3884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0622    7.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   10.0884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622   11.4884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4196    0.0729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 57 52  1  0  0  0  0
 57 58  1  6  0  0  0
 55 59  1  6  0  0  0
 55 60  1  1  0  0  0
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 68 69  1  0  0  0  0
 68 70  1  0  0  0  0
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 68 72  2  0  0  0  0
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 83 87  2  0  0  0  0
M  END
>  <Mol_ID> (1,913)
1913

>  <Formula> (1,913)
C38H84N10O34S5

>  <MolWeight> (1,913)
1385.44516

>  <Item Name> (1,913)
Sisomicin sulfate

>  <Catalog Number> (1,913)
S4540

>  <Synonyms> (1,913)
N/A

>  <Target> (1,913)
Antifection

>  <Form> (1,913)
2.5Sulfate

>  <URL> (1,913)
http://www.selleckchem.com/products/sisomicin-sulfate.html

>  <CAS Number> (1,913)
53179-09-2

$$$$
S4582 Eflornithine  hydrochloride  hydrate.cdx
csChFnd80/01151910432D

 14 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,914)
1914

>  <Formula> (1,914)
C6H15ClF2N2O3

>  <MolWeight> (1,914)
236.6447064

>  <Item Name> (1,914)
Eflornithine hydrochloride hydrate

>  <Catalog Number> (1,914)
S4582

>  <Synonyms> (1,914)
Difluoromethylornithine hydrochloride hydrate

>  <Target> (1,914)
Decarboxylase

>  <Form> (1,914)
hydrochloride hydrate

>  <URL> (1,914)
http://www.selleckchem.com/products/eflornithine-hydrochloride-hydrate.html

>  <CAS Number> (1,914)
96020-91-6

$$$$
S4605 Folic acid.cdx
csChFnd80/01151910432D

 32 34  0  0  0  0  0  0  0  0999 V2000
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1915

>  <Formula> (1,915)
C19H19N7O6

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441.39746

>  <Item Name> (1,915)
Folic acid

>  <Catalog Number> (1,915)
S4605

>  <Synonyms> (1,915)
Folacin, Vitamin B9, Vitamin M, Pteroylglutamic acid, Folate

>  <Target> (1,915)
Vitamin

>  <Form> (1,915)
Free Base

>  <URL> (1,915)
http://www.selleckchem.com/products/folic-acid.html

>  <CAS Number> (1,915)
59-30-3

$$$$
MK-886 (L-663,536).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,916)
1916

>  <Formula> (1,916)
C27H34ClNO2S

>  <MolWeight> (1,916)
472.08236

>  <Item Name> (1,916)
MK-886 (L-663,536)

>  <Catalog Number> (1,916)
S8236

>  <Synonyms> (1,916)
L-663536

>  <Target> (1,916)
Lipoxygenase

>  <Form> (1,916)
Free Base

>  <URL> (1,916)
http://www.selleckchem.com/products/mk-886-l-663-536.html

>  <CAS Number> (1,916)
118414-82-7

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/01151910432D

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1917

>  <Formula> (1,917)
C26H26N6O2S

>  <MolWeight> (1,917)
486.58864

>  <Item Name> (1,917)
Olmutinib (HM61713, BI 1482694)

>  <Catalog Number> (1,917)
S8294

>  <Synonyms> (1,917)
BI 1482694, HM61713, HM71224

>  <Target> (1,917)
EGFR

>  <Form> (1,917)
Free Base

>  <URL> (1,917)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

>  <CAS Number> (1,917)
1353550-13-6

$$$$
FOMEPIZOLE (fomepizole).cdx
csChFnd80/01151910432D

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1918

>  <Formula> (1,918)
C4H6N2

>  <MolWeight> (1,918)
82.10384

>  <Item Name> (1,918)
Fomepizole (Antizol)

>  <Catalog Number> (1,918)
S1717

>  <Synonyms> (1,918)
4-methylpyrazole, Antizol, Antizol-Vet

>  <Target> (1,918)
5-alpha Reductase

>  <Form> (1,918)
Free Base

>  <URL> (1,918)
http://www.selleckchem.com/products/Fomepizole(Antizol).html

>  <CAS Number> (1,918)
7554-65-6

$$$$
S4606 Glutathione.cdx
csChFnd80/01151910432D

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1919

>  <Formula> (1,919)
C10H17N3O6S

>  <MolWeight> (1,919)
307.32348

>  <Item Name> (1,919)
Glutathione

>  <Catalog Number> (1,919)
S4606

>  <Synonyms> (1,919)
Isethion, Glutathion, Tathion

>  <Target> (1,919)
Others

>  <Form> (1,919)
Free Base

>  <URL> (1,919)
http://www.selleckchem.com/products/glutathione.html

>  <CAS Number> (1,919)
70-18-8

$$$$
S4684 Sildenafil.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,920)
1920

>  <Formula> (1,920)
C22H30N6O4S

>  <MolWeight> (1,920)
474.5764

>  <Item Name> (1,920)
Sildenafil

>  <Catalog Number> (1,920)
S4684

>  <Synonyms> (1,920)
Revatio, UK-92480, Viagra

>  <Target> (1,920)
PDE

>  <Form> (1,920)
Free Base

>  <URL> (1,920)
http://www.selleckchem.com/products/sildenafil.html

>  <CAS Number> (1,920)
139755-83-2

$$$$
S4694 Alosetron Hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,921)
1921

>  <Formula> (1,921)
C17H19ClN4O

>  <MolWeight> (1,921)
330.81196

>  <Item Name> (1,921)
Alosetron Hydrochloride

>  <Catalog Number> (1,921)
S4694

>  <Synonyms> (1,921)
GR 68755C, GR 68755, GR 68755X, Lotronex, GR-68755, GR68755

>  <Target> (1,921)
5-HT Receptor

>  <Form> (1,921)
hydrochloride

>  <URL> (1,921)
http://www.selleckchem.com/products/alosetron-hydrochloride.html

>  <CAS Number> (1,921)
122852-69-1

$$$$
S4654 Netupitant.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,922)
1922

>  <Formula> (1,922)
C30H32F6N4O

>  <MolWeight> (1,922)
578.5916992

>  <Item Name> (1,922)
Netupitant

>  <Catalog Number> (1,922)
S4654

>  <Synonyms> (1,922)
CID6451149, CID 6451149, CID-6451149

>  <Target> (1,922)
Substance P

>  <Form> (1,922)
Free Base

>  <URL> (1,922)
http://www.selleckchem.com/products/netupitant.html

>  <CAS Number> (1,922)
290297-26-6

$$$$
S4695 D panthenol.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,923)
1923

>  <Formula> (1,923)
C9H19NO4

>  <MolWeight> (1,923)
205.25146

>  <Item Name> (1,923)
D panthenol

>  <Catalog Number> (1,923)
S4695

>  <Synonyms> (1,923)
Dexpanthenol, D-Panthenol, Pantothenol, Ilopan, D-Pantothenyl alcohol

>  <Target> (1,923)
Vitamin

>  <Form> (1,923)
Free Base

>  <URL> (1,923)
http://www.selleckchem.com/products/d-panthenol.html

>  <CAS Number> (1,923)
81-13-0

$$$$
TRx0237 (LMTX).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,924)
1924

>  <Formula> (1,924)
C18H27N3O6S3

>  <MolWeight> (1,924)
477.61848

>  <Item Name> (1,924)
TRx0237 (LMTX) mesylate

>  <Catalog Number> (1,924)
S7762

>  <Synonyms> (1,924)
N/A

>  <Target> (1,924)
Microtubule Associated

>  <Form> (1,924)
Dimesylate

>  <URL> (1,924)
http://www.selleckchem.com/products/trx0237-lmtx.html

>  <CAS Number> (1,924)
1236208-20-0

$$$$
S4690 Vitamin E.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,925)
1925

>  <Formula> (1,925)
C29H50O2

>  <MolWeight> (1,925)
430.7061

>  <Item Name> (1,925)
Vitamin E

>  <Catalog Number> (1,925)
S4686

>  <Synonyms> (1,925)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (1,925)
COX,VEGFR

>  <Form> (1,925)
Free Base

>  <URL> (1,925)
http://www.selleckchem.com/products/vitamin-e.html

>  <CAS Number> (1,925)
59-02-9

$$$$
S4671 Cefradine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,926)
1926

>  <Formula> (1,926)
C16H19N3O4S

>  <MolWeight> (1,926)
349.40476

>  <Item Name> (1,926)
Cefradine

>  <Catalog Number> (1,926)
S4671

>  <Synonyms> (1,926)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (1,926)
Antifection

>  <Form> (1,926)
Free Base

>  <URL> (1,926)
http://www.selleckchem.com/products/cefradine.html

>  <CAS Number> (1,926)
38821-53-3

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,927)
1927

>  <Formula> (1,927)
C26H27F4N3O7

>  <MolWeight> (1,927)
569.5020928

>  <Item Name> (1,927)
Emricasan (IDN-6556, PF-03491390)

>  <Catalog Number> (1,927)
S7775

>  <Synonyms> (1,927)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (1,927)
Caspase

>  <Form> (1,927)
Free Base

>  <URL> (1,927)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

>  <CAS Number> (1,927)
254750-02-2

$$$$
Kanamycin sulfate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,928)
1928

>  <Formula> (1,928)
C18H38N4O15S

>  <MolWeight> (1,928)
582.57712

>  <Item Name> (1,928)
Kanamycin sulfate

>  <Catalog Number> (1,928)
S2315

>  <Synonyms> (1,928)
Kanamycin monosulfate

>  <Target> (1,928)
Antifection

>  <Form> (1,928)
sulfate

>  <URL> (1,928)
http://www.selleckchem.com/products/Kanamycin-sulfate(Kantrex).html

>  <CAS Number> (1,928)
25389-94-0

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,929)
1929

>  <Formula> (1,929)
C26H28N4O4S

>  <MolWeight> (1,929)
492.58992

>  <Item Name> (1,929)
MK-4827(Niraparib) tosylate

>  <Catalog Number> (1,929)
S7625

>  <Synonyms> (1,929)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (1,929)
PARP

>  <Form> (1,929)
4-?methylbenzen

>  <URL> (1,929)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

>  <CAS Number> (1,929)
1038915-73-9

$$$$
Polymyxin B sulphate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,930)
1930

>  <Formula> (1,930)
C56H100N16O17S

>  <MolWeight> (1,930)
1301.5552

>  <Item Name> (1,930)
Polymyxin B sulphate

>  <Catalog Number> (1,930)
S1395

>  <Synonyms> (1,930)
Aerosporin, PMB, Poly-RX

>  <Target> (1,930)
Antifection

>  <Form> (1,930)
sulfate

>  <URL> (1,930)
http://www.selleckchem.com/products/Polymyxin-B-sulphate.html

>  <CAS Number> (1,930)
1405-20-5, 4135-11-9 (free base)

$$$$
MLR-1023.cdx
csChFnd80/01151910432D

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123441-03-2

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M  END
>  <Mol_ID> (1,936)
1936

>  <Formula> (1,936)
C28H29ClN4O3

>  <MolWeight> (1,936)
505.00786

>  <Item Name> (1,936)
LY333531 HCl

>  <Catalog Number> (1,936)
S7663

>  <Synonyms> (1,936)
Ruboxistaurin

>  <Target> (1,936)
PKC

>  <Form> (1,936)
hydrochloride

>  <URL> (1,936)
http://www.selleckchem.com/products/ly333531.html

>  <CAS Number> (1,936)
169939-93-9

$$$$
Melphalan.cdx
csChFnd80/01151910432D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,937)
1937

>  <Formula> (1,937)
C13H18Cl2N2O2

>  <MolWeight> (1,937)
305.20022

>  <Item Name> (1,937)
Melphalan

>  <Catalog Number> (1,937)
S8266

>  <Synonyms> (1,937)
Alkeran, Sarcolysin, L-PAM

>  <Target> (1,937)
Others

>  <Form> (1,937)
Free Base

>  <URL> (1,937)
http://www.selleckchem.com/products/melphalan.html

>  <CAS Number> (1,937)
148-82-3

$$$$
S4721 L-Glutamic acid monosodium salt.cdx
csChFnd80/01151910432D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  1  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
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M  END
>  <Mol_ID> (1,938)
1938

>  <Formula> (1,938)
C5H8NNaO4

>  <MolWeight> (1,938)
169.11109

>  <Item Name> (1,938)
L-Glutamic acid monosodium salt

>  <Catalog Number> (1,938)
S4721

>  <Synonyms> (1,938)
Monosodium glutamate|MSG

>  <Target> (1,938)
Others

>  <Form> (1,938)
sodium salt

>  <URL> (1,938)
http://www.selleckchem.com/products/l-glutamic-acid-monosodium-salt.html

>  <CAS Number> (1,938)
142-47-2

$$$$
LOXO-101.cdx
csChFnd80/01151910432D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 32 33  2  0  0  0  0
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M  END
>  <Mol_ID> (1,939)
1939

>  <Formula> (1,939)
C21H24F2N6O6S

>  <MolWeight> (1,939)
526.5136664

>  <Item Name> (1,939)
LOXO-101(sulfate)

>  <Catalog Number> (1,939)
S7960

>  <Synonyms> (1,939)
N/A

>  <Target> (1,939)
Trk receptor

>  <Form> (1,939)
sulfate

>  <URL> (1,939)
http://www.selleckchem.com/products/loxo-101.html

>  <CAS Number> (1,939)
1223405-08-0

$$$$
BMS-911543.cdx
csChFnd80/01151910432D

 32 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,940)
1940

>  <Formula> (1,940)
C23H28N8O

>  <MolWeight> (1,940)
432.52142

>  <Item Name> (1,940)
BMS-911543

>  <Catalog Number> (1,940)
S7144

>  <Synonyms> (1,940)
N/A

>  <Target> (1,940)
JAK

>  <Form> (1,940)
Free Base

>  <URL> (1,940)
http://www.selleckchem.com/products/bms-911543.html

>  <CAS Number> (1,940)
1271022-90-2

$$$$
S4700 4-Aminobutyric acid.cdx
csChFnd80/01151910432D

  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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M  END
>  <Mol_ID> (1,941)
1941

>  <Formula> (1,941)
C4H9NO2

>  <MolWeight> (1,941)
103.11976

>  <Item Name> (1,941)
4-Aminobutyric acid

>  <Catalog Number> (1,941)
S4700

>  <Synonyms> (1,941)
4-Aminobutanoic acid, GABA, Gamma-aminobutyric acid, Piperidic acid

>  <Target> (1,941)
GABA Receptor

>  <Form> (1,941)
Free Base

>  <URL> (1,941)
http://www.selleckchem.com/products/4-aminobutyric-acid.html

>  <CAS Number> (1,941)
56-12-2

$$$$
S4702 Sarcosine.cdx
csChFnd80/01151910432D

  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
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M  END
>  <Mol_ID> (1,942)
1942

>  <Formula> (1,942)
C3H7NO2

>  <MolWeight> (1,942)
89.09318

>  <Item Name> (1,942)
Sarcosine

>  <Catalog Number> (1,942)
S4702

>  <Synonyms> (1,942)
N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (1,942)
NMDAR

>  <Form> (1,942)
Free Base

>  <URL> (1,942)
http://www.selleckchem.com/products/sarcosine.html

>  <CAS Number> (1,942)
107-97-1

$$$$
S4703 Choline bitartrate.cdx
csChFnd80/01151910432D

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    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,943)
1943

>  <Formula> (1,943)
C9H19NO7

>  <MolWeight> (1,943)
253.24966

>  <Item Name> (1,943)
Choline bitartrate

>  <Catalog Number> (1,943)
S4703

>  <Synonyms> (1,943)
2-hydroxyethyl(trimethyl)azanium;2,3,4-trihydroxy-4-oxobutanoate

>  <Target> (1,943)
Others

>  <Form> (1,943)
tartrate

>  <URL> (1,943)
http://www.selleckchem.com/products/choline-bitartrate.html

>  <CAS Number> (1,943)
87-67-2

$$$$
S4709 Latanoprost.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,944)
1944

>  <Formula> (1,944)
C26H40O5

>  <MolWeight> (1,944)
432.5928

>  <Item Name> (1,944)
Latanoprost

>  <Catalog Number> (1,944)
S4709

>  <Synonyms> (1,944)
Xalatan, PhXA41, PHXA-41

>  <Target> (1,944)
GPR

>  <Form> (1,944)
Free Base

>  <URL> (1,944)
http://www.selleckchem.com/products/latanoprost.html

>  <CAS Number> (1,944)
130209-82-4

$$$$
Pamapimod.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,945)
1945

>  <Formula> (1,945)
C19H20F2N4O4

>  <MolWeight> (1,945)
406.3833064

>  <Item Name> (1,945)
Pamapimod (R-1503, Ro4402257)

>  <Catalog Number> (1,945)
S8125

>  <Synonyms> (1,945)
N/A

>  <Target> (1,945)
p38 MAPK

>  <Form> (1,945)
Free Base

>  <URL> (1,945)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

>  <CAS Number> (1,945)
449811-01-2

$$$$
AS101.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,946)
1946

>  <Formula> (1,946)
C2H8Cl3NO2Te

>  <MolWeight> (1,946)
312.04942

>  <Item Name> (1,946)
AS101

>  <Catalog Number> (1,946)
S8301

>  <Synonyms> (1,946)
N/A

>  <Target> (1,946)
Others

>  <Form> (1,946)
Coordination Co

>  <URL> (1,946)
http://www.selleckchem.com/products/as101.html

>  <CAS Number> (1,946)
106566-58-9

$$$$
BFH772.cdx
csChFnd80/01151910432D

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VEGFR

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Free Base

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http://www.selleckchem.com/products/bfh772.html

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890128-81-1

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>  <Formula> (1,948)
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>  <MolWeight> (1,948)
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>  <Catalog Number> (1,948)
S8353

>  <Synonyms> (1,948)
CPI 1205, CPI1205

>  <Target> (1,948)
Histone Methyltransferase

>  <Form> (1,948)
Free Base

>  <URL> (1,948)
http://www.selleckchem.com/products/cpi-1205.html

>  <CAS Number> (1,948)
1621862-70-1

$$$$
BGP-15.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,949)
1949

>  <Formula> (1,949)
C14H24Cl2N4O2

>  <MolWeight> (1,949)
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>  <Item Name> (1,949)
BGP-15 2HCl

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>  <Synonyms> (1,949)
N/A

>  <Target> (1,949)
PARP

>  <Form> (1,949)
dihydrochloride

>  <URL> (1,949)
http://www.selleckchem.com/products/bgp-15.html

>  <CAS Number> (1,949)
66611-37-8

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,950)
1950

>  <Formula> (1,950)
C26H24N8O2

>  <MolWeight> (1,950)
480.52116

>  <Item Name> (1,950)
ARRY-380 (ONT-380)

>  <Catalog Number> (1,950)
S8362

>  <Synonyms> (1,950)
Tucatinib

>  <Target> (1,950)
HER2

>  <Form> (1,950)
Free Base

>  <URL> (1,950)
http://www.selleckchem.com/products/arry-380-ont-380.html

>  <CAS Number> (1,950)
937263-43-9

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/01151910432D

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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> (1,951)
1206799-15-6

$$$$
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csChFnd80/01151910432D

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>  <Target> (1,952)
PI3K

>  <Form> (1,952)
Free Base

>  <URL> (1,952)
http://www.selleckchem.com/products/gdc-0084.html

>  <CAS Number> (1,952)
1382979-44-3

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CC-115.cdx
csChFnd80/01151910432D

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1953

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N/A

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DNA-PK

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Free Base

>  <URL> (1,953)
http://www.selleckchem.com/products/cc-115.html

>  <CAS Number> (1,953)
1228013-15-7

$$$$
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>  <Mol_ID> (1,954)
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>  <Item Name> (1,954)
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>  <Synonyms> (1,954)
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>  <URL> (1,954)
http://www.selleckchem.com/products/jnj-42756493-erdafitinib.html

>  <CAS Number> (1,954)
1346242-81-6

$$$$
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>  <Mol_ID> (1,955)
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>  <Formula> (1,955)
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>  <Item Name> (1,955)
Y-39983 HCl

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S7935

>  <Synonyms> (1,955)
Y-33075 HCl

>  <Target> (1,955)
ROCK

>  <Form> (1,955)
dihydrochloride

>  <URL> (1,955)
http://www.selleckchem.com/products/y-39983-hcl.html

>  <CAS Number> (1,955)
173897-44-4

$$$$
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N/A

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p53

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5291-32-7

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>  <Formula> (1,957)
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>  <Synonyms> (1,957)
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>  <Target> (1,957)
BACE

>  <Form> (1,957)
Free Base

>  <URL> (1,957)
http://www.selleckchem.com/products/azd3293-ly3314814.html

>  <CAS Number> (1,957)
1383982-64-6

$$$$
GSK2269557.cdx
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1958

>  <Formula> (1,958)
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>  <Item Name> (1,958)
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Nemiralisib

>  <Target> (1,958)
PI3K

>  <Form> (1,958)
Free Base

>  <URL> (1,958)
http://www.selleckchem.com/products/gsk2269557.html

>  <CAS Number> (1,958)
1254036-71-9

$$$$
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csChFnd80/01151910432D

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>  <Mol_ID> (1,959)
1959

>  <Formula> (1,959)
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>  <Item Name> (1,959)
Sodium ferulate

>  <Catalog Number> (1,959)
S4740

>  <Synonyms> (1,959)
Ferulic acid sodium salt

>  <Target> (1,959)
Thrombin

>  <Form> (1,959)
Sodium salt

>  <URL> (1,959)
http://www.selleckchem.com/products/ferulic-acid-sodium.html

>  <CAS Number> (1,959)
24276-84-4

$$$$
LY3039478.cdx
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http://www.selleckchem.com/products/arq-092.html

>  <CAS Number> (1,964)
1313883-00-9

$$$$
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N/A

>  <Target> (1,966)
MNK

>  <Form> (1,966)
Free Base

>  <URL> (1,966)
http://www.selleckchem.com/products/eft-508.html

>  <CAS Number> (1,966)
1849590-01-7

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>  <Target> (1,967)
E3 Ligase

>  <Form> (1,967)
Free Base

>  <URL> (1,967)
http://www.selleckchem.com/products/cc-122.html

>  <CAS Number> (1,967)
1015474-32-4

$$$$
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N/A

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EGFR

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>  <URL> (1,968)
http://www.selleckchem.com/products/naquotinib-asp8273.html

>  <CAS Number> (1,968)
1448232-80-1

$$$$
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M  END
>  <Mol_ID> (1,969)
1969

>  <Formula> (1,969)
C25H23ClN6O3

>  <MolWeight> (1,969)
490.94152

>  <Item Name> (1,969)
ONO-4059 (GS-4059) hydrochloride

>  <Catalog Number> (1,969)
S8166

>  <Synonyms> (1,969)
N/A

>  <Target> (1,969)
BTK

>  <Form> (1,969)
hydrochloride

>  <URL> (1,969)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

>  <CAS Number> (1,969)
1439901-97-9

$$$$
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csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,970)
1970

>  <Formula> (1,970)
C24H26ClN5O3

>  <MolWeight> (1,970)
467.94794

>  <Item Name> (1,970)
Citarinostat (ACY-241)

>  <Catalog Number> (1,970)
S8464

>  <Synonyms> (1,970)
HDAC-IN-2

>  <Target> (1,970)
HDAC

>  <Form> (1,970)
Free Base

>  <URL> (1,970)
http://www.selleckchem.com/products/citarinostat-acy-241.html

>  <CAS Number> (1,970)
1316215-12-9

$$$$
E7449.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (1,971)
1971

>  <Formula> (1,971)
C18H15N5O

>  <MolWeight> (1,971)
317.3446

>  <Item Name> (1,971)
E7449

>  <Catalog Number> (1,971)
S8419

>  <Synonyms> (1,971)
N/A

>  <Target> (1,971)
PARP

>  <Form> (1,971)
Free Base

>  <URL> (1,971)
http://www.selleckchem.com/products/e7449.html

>  <CAS Number> (1,971)
1140964-99-3

$$$$
TGR-1202.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,972)
1972

>  <Formula> (1,972)
C31H24F3N5O3

>  <MolWeight> (1,972)
571.5491696

>  <Item Name> (1,972)
TGR-1202

>  <Catalog Number> (1,972)
S8194

>  <Synonyms> (1,972)
Rp-5264

>  <Target> (1,972)
PI3K

>  <Form> (1,972)
Free Base

>  <URL> (1,972)
http://www.selleckchem.com/products/tgr-1202.html

>  <CAS Number> (1,972)
1532533-67-7

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,973)
1973

>  <Formula> (1,973)
C26H31ClN6O2

>  <MolWeight> (1,973)
495.01634

>  <Item Name> (1,973)
Nazartinib (EGF816, NVS-816)

>  <Catalog Number> (1,973)
S7824

>  <Synonyms> (1,973)
N/A

>  <Target> (1,973)
EGFR

>  <Form> (1,973)
Free Base

>  <URL> (1,973)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

>  <CAS Number> (1,973)
1508250-71-2

$$$$
CC-930.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,974)
1974

>  <Formula> (1,974)
C21H24ClF3N6O2

>  <MolWeight> (1,974)
484.9024696

>  <Item Name> (1,974)
Tanzisertib(CC-930)

>  <Catalog Number> (1,974)
S8490

>  <Synonyms> (1,974)
JNK-930|JNKI-1

>  <Target> (1,974)
JNK

>  <Form> (1,974)
hydrochloride

>  <URL> (1,974)
http://www.selleckchem.com/products/cc-930.html

>  <CAS Number> (1,974)
899805-25-5 (free base)

$$$$
Troglitazone (CS-045).cdx
csChFnd80/01151910432D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,975)
1975

>  <Formula> (1,975)
C24H27NO5S

>  <MolWeight> (1,975)
441.53988

>  <Item Name> (1,975)
Troglitazone (CS-045)

>  <Catalog Number> (1,975)
S8432

>  <Synonyms> (1,975)
Rezulin, Romglizone, Prelay, CS-045, CS045, CS 045, Romozin

>  <Target> (1,975)
PPAR

>  <Form> (1,975)
Free Base

>  <URL> (1,975)
http://www.selleckchem.com/products/troglitazone-cs-045.html

>  <CAS Number> (1,975)
97322-87-7

$$$$
GSK2256098.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,976)
1976

>  <Formula> (1,976)
C20H23ClN6O2

>  <MolWeight> (1,976)
414.88862

>  <Item Name> (1,976)
GSK2256098

>  <Catalog Number> (1,976)
S8523

>  <Synonyms> (1,976)
GTPL7939

>  <Target> (1,976)
FAK

>  <Form> (1,976)
Free Base

>  <URL> (1,976)
http://www.selleckchem.com/products/gsk2256098.html

>  <CAS Number> (1,976)
1224887-10-8

$$$$
CFI-400945.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,980)
1980

>  <Formula> (1,980)
C29H34Cl2F6N8O12

>  <MolWeight> (1,980)
871.5230792

>  <Item Name> (1,980)
TAS-102

>  <Catalog Number> (1,980)
S8539

>  <Synonyms> (1,980)
N/A

>  <Target> (1,980)
others

>  <Form> (1,980)
hydrochloride

>  <URL> (1,980)
http://www.selleckchem.com/products/tas-102.html

>  <CAS Number> (1,980)
733030-01-8

$$$$
Verubecestat (MK-8931).cdx
csChFnd80/01151910432D

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  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
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  8 10  2  0  0  0  0
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M  END
>  <Mol_ID> (1,981)
1981

>  <Formula> (1,981)
C17H17F2N5O3S

>  <MolWeight> (1,981)
409.4103864

>  <Item Name> (1,981)
Verubecestat (MK-8931)

>  <Catalog Number> (1,981)
S8564

>  <Synonyms> (1,981)
N/A

>  <Target> (1,981)
BACE2 ,BACE1

>  <Form> (1,981)
free base

>  <URL> (1,981)
http://www.selleckchem.com/products/verubecestat.html

>  <CAS Number> (1,981)
1286770-55-5

$$$$
Lixisenatide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (1,982)
1982

>  <Formula> (1,982)
C215H347N61O65S

>  <MolWeight> (1,982)
4858.49038

>  <Item Name> (1,982)
Lixisenatide

>  <Catalog Number> (1,982)
S8517

>  <Synonyms> (1,982)
Lyxumia, Adlyxin, ZP10A peptide, AVE0010

>  <Target> (1,982)
GLP-1R

>  <Form> (1,982)
free base

>  <URL> (1,982)
http://www.selleckchem.com/products/lixisenatide.html

>  <CAS Number> (1,982)
827033-10-3

$$$$
Omarigliptin (MK-3102).cdx
csChFnd80/01151910432D

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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
  3  8  1  0  0  0  0
  9  4  1  6  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
 14 15  1  1  0  0  0
 12 16  1  1  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 16  1  0  0  0  0
 18 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,983)
1983

>  <Formula> (1,983)
C17H20F2N4O3S

>  <MolWeight> (1,983)
398.4275064

>  <Item Name> (1,983)
Omarigliptin (MK-3102)

>  <Catalog Number> (1,983)
S8565

>  <Synonyms> (1,983)
N/A

>  <Target> (1,983)
DPP-4

>  <Form> (1,983)
free base
free base

>  <URL> (1,983)
http://www.selleckchem.com/products/omarigliptin-mk-3102.html

>  <CAS Number> (1,983)
1226781-44-7

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/01151910432D

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 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
 24 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
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 30 36  1  0  0  0  0
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 37 30  1  0  0  0  0
 35 38  2  0  0  0  0
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 39 40  2  0  0  0  0
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 42 35  1  0  0  0  0
 40 43  1  0  0  0  0
 10 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
>  <Mol_ID> (1,984)
1984

>  <Formula> (1,984)
C33H29F2N5O4S

>  <MolWeight> (1,984)
629.6762664

>  <Item Name> (1,984)
Sitravatinib (MGCD516)

>  <Catalog Number> (1,984)
S8573

>  <Synonyms> (1,984)
MG-516

>  <Target> (1,984)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (1,984)
free base

>  <URL> (1,984)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

>  <CAS Number> (1,984)
1123837-84-2

$$$$
Tirofiban Hydrochloride.cdx
csChFnd80/01151910432D

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  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 18 19  1  0  0  0  0
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 24 27  1  0  0  0  0
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M  END
>  <Mol_ID> (1,985)
1985

>  <Formula> (1,985)
C22H39ClN2O6S

>  <MolWeight> (1,985)
495.07286

>  <Item Name> (1,985)
Tirofiban Hydrochloride

>  <Catalog Number> (1,985)
S8594

>  <Synonyms> (1,985)
MK-383 Hydrochloride

>  <Target> (1,985)
GPIIb/IIIa

>  <Form> (1,985)
hydrochloride hydrate

>  <URL> (1,985)
http://www.selleckchem.com/products/tirofiban-hydrochlorid.html

>  <CAS Number> (1,985)
150915-40-5

$$$$
TPX-0005.cdx
csChFnd80/01151910432D

 26 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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  6  1  1  0  0  0  0
  1  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
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 10  2  0  0  0  0
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 15 14  1  0  0  0  0
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 22 23  1  0  0  0  0
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 25 19  1  0  0  0  0
 23 26  1  1  0  0  0
M  END
>  <Mol_ID> (1,986)
1986

>  <Formula> (1,986)
C18H18FN5O2

>  <MolWeight> (1,986)
355.3662232

>  <Item Name> (1,986)
TPX-0005

>  <Catalog Number> (1,986)
S8583

>  <Synonyms> (1,986)
N/A

>  <Target> (1,986)
 ALK,ALK(L1196M),ALK(G1202R),Src 

>  <Form> (1,986)
free base

>  <URL> (1,986)
http://www.selleckchem.com/products/tpx-0005.html

>  <CAS Number> (1,986)
no

$$$$
GSK2982772.cdx
csChFnd80/01151910432D

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>  <Formula> (1,987)
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>  <Item Name> (1,987)
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>  <Catalog Number> (1,987)
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>  <Synonyms> (1,987)
N/A

>  <Target> (1,987)
human RIP1

>  <Form> (1,987)
free base

>  <URL> (1,987)
http://www.selleckchem.com/products/gsk2982772.html

>  <CAS Number> (1,987)
1622848-92-3

$$$$
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>  <Mol_ID> (1,988)
1988

>  <Formula> (1,988)
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>  <MolWeight> (1,988)
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>  <Item Name> (1,988)
Amcasertib (BBI503)

>  <Catalog Number> (1,988)
S8572

>  <Synonyms> (1,988)
N/A

>  <Target> (1,988)
Nanog

>  <Form> (1,988)
free base

>  <URL> (1,988)
http://www.selleckchem.com/products/amcasertib-bbi503.html

>  <CAS Number> (1,988)
1129403-56-0

$$$$
GBT440.cdx
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>  <Mol_ID> (1,989)
1989

>  <Formula> (1,989)
C19H19N3O3

>  <MolWeight> (1,989)
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>  <Item Name> (1,989)
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>  <Catalog Number> (1,989)
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>  <Synonyms> (1,989)
N/A

>  <Target> (1,989)
CYP 1A2, 2C8, 2C9, 2C19, 2D6,3A4

>  <Form> (1,989)
free base

>  <URL> (1,989)
http://www.selleckchem.com/products/gbt440.html

>  <CAS Number> (1,989)
1446321-46-5

$$$$
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>  <Mol_ID> (1,990)
1990

>  <Formula> (1,990)
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>  <MolWeight> (1,990)
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>  <Item Name> (1,990)
Tofogliflozin(CSG 452)

>  <Catalog Number> (1,990)
S8558

>  <Synonyms> (1,990)
N/A

>  <Target> (1,990)
hSGLT2

>  <Form> (1,990)
hydrate 

>  <URL> (1,990)
http://www.selleckchem.com/products/tofogliflozin-csg-452.html

>  <CAS Number> (1,990)
1201913-82-7

$$$$
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    9.5096    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2660    2.3674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0889    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2660    4.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4889    3.5000    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  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  2  0  0  0  0
  5 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
 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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 10 19  2  0  0  0  0
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 20 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,991)
1991

>  <Formula> (1,991)
C19H17N5O3

>  <MolWeight> (1,991)
363.36998

>  <Item Name> (1,991)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Catalog Number> (1,991)
S8581

>  <Synonyms> (1,991)
N/A

>  <Target> (1,991)
PI3K¦Á 

>  <Form> (1,991)
Free base

>  <URL> (1,991)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

>  <CAS Number> (1,991)
1268454-23-4

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/01151910432D

  7  6  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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 Cl  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
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 Na  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
  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  7  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,992)
1992

>  <Formula> (1,992)
C2HCl2NaO2

>  <MolWeight> (1,992)
150.92391

>  <Item Name> (1,992)
Sodium dichloroacetate (DCA)

>  <Catalog Number> (1,992)
S8615

>  <Synonyms> (1,992)
bichloroacetic acid, BCA

>  <Target> (1,992)
PDK

>  <Form> (1,992)
sodium salt

>  <URL> (1,992)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

>  <CAS Number> (1,992)
2156-56-1

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/01151910432D

 42 46  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0310    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    3.9326    0.0000 N   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
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   17.4539    0.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4539    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0539    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5539    1.5876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5635   10.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6267   11.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9329   11.1722    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  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
 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
 14 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
  8 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
 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
 31  9  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 36  1  0  0  0  0
 36 31  1  0  0  0  0
 34 37  1  1  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
 40 42  1  0  0  0  0
M  END
>  <Mol_ID> (1,993)
1993

>  <Formula> (1,993)
C33H44FN5O3

>  <MolWeight> (1,993)
577.7325632

>  <Item Name> (1,993)
Belizatinib (TSR-011)

>  <Catalog Number> (1,993)
S8511

>  <Synonyms> (1,993)
N/A

>  <Target> (1,993)
ALK,TRK

>  <Form> (1,993)
free base

>  <URL> (1,993)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

>  <CAS Number> (1,993)
1357920-84-3

$$$$
S 38093.cdx
csChFnd80/01151910432D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.7937    4.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7937    3.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0061    2.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2185    3.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2185    4.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0061    5.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5812    2.7238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3688    3.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9439    3.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7315    2.7238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4525    3.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    2.2528    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2157    1.0404    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5852    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6434    4.8238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4310    6.9238    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 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 18 14  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,994)
1994

>  <Formula> (1,994)
C17H24N2O2

>  <MolWeight> (1,994)
288.38466

>  <Item Name> (1,994)
S 38093

>  <Catalog Number> (1,994)
S8598

>  <Synonyms> (1,994)
N/A

>  <Target> (1,994)
human H3 receptor,mouse H3 receptor,rat H3 r

>  <Form> (1,994)
free base

>  <URL> (1,994)
http://www.selleckchem.com/products/S-38093.html

>  <CAS Number> (1,994)
862896-30-8

$$$$
Ensartinib (X-396).cdx
csChFnd80/01151910432D

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    7.2746    2.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 14 15  2  0  0  0  0
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 18 12  2  0  0  0  0
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 20 21  1  0  0  0  0
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 28 22  1  0  0  0  0
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 32 33  1  0  0  0  0
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 35 36  1  0  0  0  0
 36  8  1  0  0  0  0
 33 37  1  6  0  0  0
 35 38  1  6  0  0  0
M  END
>  <Mol_ID> (1,995)
1995

>  <Formula> (1,995)
C26H27Cl2FN6O3

>  <MolWeight> (1,995)
561.4353832

>  <Item Name> (1,995)
Ensartinib (X-396)

>  <Catalog Number> (1,995)
S8230

>  <Synonyms> (1,995)
N/A

>  <Target> (1,995)
Met,ALK 

>  <Form> (1,995)
free base

>  <URL> (1,995)
http://www.selleckchem.com/products/ensartinib-x-396.html

>  <CAS Number> (1,995)
1370651-20-9

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/01151910432D

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    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
    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 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
    2.4249    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    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
   13.3368    4.2000    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
   14.5492    2.1000    0.0000 N   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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    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
   18.1865    0.0000    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 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
    2.4249    0.7000    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
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 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
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 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
 26 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 29  1  0  0  0  0
 32 35  1  0  0  0  0
 13 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 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,996)
1996

>  <Formula> (1,996)
C29H44N8O3

>  <MolWeight> (1,996)
552.71146

>  <Item Name> (1,996)
Gilteritinib (ASP2215)

>  <Catalog Number> (1,996)
S7754

>  <Synonyms> (1,996)
N/A

>  <Target> (1,996)
FLT3,Axl 

>  <Form> (1,996)
free base

>  <URL> (1,996)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

>  <CAS Number> (1,996)
1254053-43-4

$$$$
Tucidinostat (Chidamide).cdx
csChFnd80/01151910432D

 29 31  0  0  0  0  0  0  0  0999 V2000
    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
   10.9119    2.1000    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
   12.1244    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
   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 N   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
   13.3368    0.7000    0.0000 O   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    4.2000    0.0000 N   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
    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
    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
    1.2124    2.1000    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
    6.0622    6.3000    0.0000 O   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
   16.9741    0.0000    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
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
  1 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  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
 13 22  2  0  0  0  0
  9 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  9  1  0  0  0  0
 23 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,997)
1997

>  <Formula> (1,997)
C22H19FN4O2

>  <MolWeight> (1,997)
390.4102632

>  <Item Name> (1,997)
Tucidinostat (Chidamide)

>  <Catalog Number> (1,997)
S8567 

>  <Synonyms> (1,997)
HBI-8000, CS-055

>  <Target> (1,997)
HDAC3,HDAC10,HDAC1,HDAC2 

>  <Form> (1,997)
free base

>  <URL> (1,997)
http://www.selleckchem.com/products/tucidinostat-chidamide.html

>  <CAS Number> (1,997)
743420-02-2

$$$$
S3619 Citicoline sodium.cdx
csChFnd80/01151910432D

 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
  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
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 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
 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> (1,998)
1998

>  <Formula> (1,998)
C14H25N4NaO11P2

>  <MolWeight> (1,998)
510.305792

>  <Item Name> (1,998)
Citicoline sodium

>  <Catalog Number> (1,998)
S3619

>  <Synonyms> (1,998)
CDP-choline

>  <Target> (1,998)
Others

>  <Form> (1,998)
sodium salt

>  <URL> (1,998)
http://www.selleckchem.com/products/citicoline-sodium.html

>  <CAS Number> (1,998)
33818-15-4

$$$$
S3703 Phenethyl alcohol.cdx
csChFnd80/01151910432D

  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> (1,999)
1999

>  <Formula> (1,999)
C8H10O

>  <MolWeight> (1,999)
122.1644

>  <Item Name> (1,999)
Phenethyl alcohol

>  <Catalog Number> (1,999)
S3703

>  <Synonyms> (1,999)
2-phenylethanol, 2-Phenylethyl alcohol, Benzeneethanol, Phenylethanol

>  <Target> (1,999)
Others

>  <Form> (1,999)
free base

>  <URL> (1,999)
http://www.selleckchem.com/products/phenethyl-alcohol.html

>  <CAS Number> (1,999)
60-12-8

$$$$
S3650 Penicillin V potassium salt.cdx
csChFnd80/01151910432D

 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
    9.4570    4.2181    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7887    2.4183    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0892    2.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0764    4.2050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7663    4.6507    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6522    3.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2409    1.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0992    1.8028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0864    5.1949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6887    2.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6422    4.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3690    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6286    0.8965    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7248    4.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7349    5.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3947    3.4630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3720    5.3993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3820    6.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0048    5.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7099    7.7426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 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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 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
  2 26  1  6  0  0  0
M  END
>  <Mol_ID> (2,000)
2000

>  <Formula> (2,000)
C16H17KN2O5S

>  <MolWeight> (2,000)
388.47988

>  <Item Name> (2,000)
Penicillin V potassium salt

>  <Catalog Number> (2,000)
S3650

>  <Synonyms> (2,000)
Phenoxymethylpenicillin potassium salt

>  <Target> (2,000)
Antifection

>  <Form> (2,000)
potassium salt

>  <URL> (2,000)
http://www.selleckchem.com/products/penicillin-v-potassium-salt.html

>  <CAS Number> (2,000)
132-98-9

$$$$
Chondroitin sulfate.cdx
csChFnd80/01151910432D

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    2.4249    3.5073    0.0000 C   0  0  2  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
  6  1  1  0  0  0  0
  3  7  1  1  0  0  0
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 10  8  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 15  1  0  0  0  0
 15 10  1  0  0  0  0
 15 16  1  1  0  0  0
 14 17  1  1  0  0  0
 12 18  1  1  0  0  0
  9 19  1  0  0  0  0
  9 20  2  0  0  0  0
  2 21  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
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 18 27  1  0  0  0  0
 11 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
  4 32  1  6  0  0  0
A   33
n
M  END
>  <Mol_ID> (2,001)
2001

>  <Formula> (2,001)
C16H27NO14RS

>  <MolWeight> (2,001)
489.44888

>  <Item Name> (2,001)
Chondroitin sulfate

>  <Catalog Number> (2,001)
S2416

>  <Synonyms> (2,001)
N/A

>  <Target> (2,001)
Others

>  <Form> (2,001)
sulfate

>  <URL> (2,001)
http://www.selleckchem.com/products/chondroitin-sulfate.html

>  <CAS Number> (2,001)
9007-28-7

$$$$
S3667 Imipenem.cdx
csChFnd80/01151910432D

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.5166    2.8041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8537    2.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6800    3.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8584    4.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5154    4.2026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1059    4.2026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1059    2.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2842    1.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    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  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  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  0  0  0  0
  7 11  2  0  0  0  0
 13 14  1  0  0  0  0
 16 17  2  0  0  0  0
 15 16  1  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
  3 12  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  1  0  0  0
  6 18  1  0  0  0  0
  6 21  1  1  0  0  0
  5 22  1  6  0  0  0
M  END
>  <Mol_ID> (2,002)
2002

>  <Formula> (2,002)
C12H19N3O5S

>  <MolWeight> (2,002)
317.36136

>  <Item Name> (2,002)
Imipenem

>  <Catalog Number> (2,002)
S3667

>  <Synonyms> (2,002)
N/A

>  <Target> (2,002)
AmpC ¦Â-lactamase

>  <Form> (2,002)
hydrate

>  <URL> (2,002)
http://www.selleckchem.com/products/imipenem.html

>  <CAS Number> (2,002)
74431-23-5

$$$$
S3649 Ceftazidime.cdx
csChFnd80/01151910432D

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.3974    7.9637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3919    6.5588    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
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 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
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 17 21  1  0  0  0  0
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 20 24  2  0  0  0  0
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 23 28  2  0  0  0  0
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 25 29  1  0  0  0  0
 26 30  2  0  0  0  0
 27 31  1  0  0  0  0
 29 30  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
 33 35  2  0  0  0  0
 31 36  1  0  0  0  0
 31 37  1  0  0  0  0
M  END
>  <Mol_ID> (2,003)
2003

>  <Formula> (2,003)
C22H22N6O7S2

>  <MolWeight> (2,003)
546.57608

>  <Item Name> (2,003)
Ceftazidime

>  <Catalog Number> (2,003)
S3649

>  <Synonyms> (2,003)
N/A

>  <Target> (2,003)
Antifection

>  <Form> (2,003)
inner salt

>  <URL> (2,003)
http://www.selleckchem.com/products/ceftazidime.html

>  <CAS Number> (2,003)
72558-82-8

$$$$
S3662 Pirenzepine (dihydrochloride).cdx
csChFnd80/01151910432D

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  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
  4 10  2  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 16  2  0  0  0  0
  9 17  1  0  0  0  0
 11 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 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 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,004)
2004

>  <Formula> (2,004)
C19H23Cl2N5O2

>  <MolWeight> (2,004)
424.32422

>  <Item Name> (2,004)
Pirenzepine dihydrochloride

>  <Catalog Number> (2,004)
S3662

>  <Synonyms> (2,004)
N/A

>  <Target> (2,004)
AChR

>  <Form> (2,004)
dihydrochloride

>  <URL> (2,004)
http://www.selleckchem.com/products/pirenzepine-dihydrochlori

>  <CAS Number> (2,004)
29868-97-1

$$$$
S3669 Carmustine.cdx
csChFnd80/01151910432D

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    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
    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 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
    0.0000    2.8000    0.0000 Cl  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
    9.6995    2.8000    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
  4  8  2  0  0  0  0
  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> (2,005)
2005

>  <Formula> (2,005)
C5H9Cl2N3O2

>  <MolWeight> (2,005)
214.04986

>  <Item Name> (2,005)
Carmustine

>  <Catalog Number> (2,005)
S3669

>  <Synonyms> (2,005)
bis-chloroethylnitrosourea, BCNU, BiCNU|

>  <Target> (2,005)
Others

>  <Form> (2,005)
free base

>  <URL> (2,005)
http://www.selleckchem.com/products/carmustine.html

>  <CAS Number> (2,005)
154-93-8

$$$$
S3737 Cangrelor Tetrasodium.cdx
csChFnd80/01151910432D

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    9.7442    7.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    8.5313    9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3189   10.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9746    1.6601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.4476    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8725    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8725    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8725    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    1.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102    1.1579    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    0.9601    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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 15 11  1  0  0  0  0
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 11 17  1  1  0  0  0
 15 18  1  1  0  0  0
 13  7  1  1  0  0  0
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 10 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
  2 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
 19 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  1  0  0  0  0
 32 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 37 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 41 45  1  0  0  0  0
 37 47  1  0  0  0  0
 37 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 34 35  1  0  0  0  0
 39 40  1  0  0  0  0
 43 44  1  0  0  0  0
 45 46  1  0  0  0  0
M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (2,006)
2006

>  <Formula> (2,006)
C17H21Cl2F3N5Na4O12P3S2

>  <MolWeight> (2,006)
864.2865126

>  <Item Name> (2,006)
Cangrelor Tetrasodium

>  <Catalog Number> (2,006)
S3737

>  <Synonyms> (2,006)
AR-C69931MX

>  <Target> (2,006)
P2Y12 receptor

>  <Form> (2,006)
tetrasodium salt

>  <URL> (2,006)
http://www.selleckchem.com/products/cangrelor-tetrasodium.html

>  <CAS Number> (2,006)
163706-36-3

$$$$
S3721 Bilastine.cdx
csChFnd80/01151910432D

 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
    3.7678    1.4543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7590    3.6934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    3.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    5.9408    2.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0722    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6419    3.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6396    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3674    2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8626    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4626    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5626    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5626    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  5  2  1  0  0  0  0
  4  3  1  0  0  0  0
 16  3  1  0  0  0  0
 22  4  1  0  0  0  0
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 23  5  1  0  0  0  0
  6  9  1  0  0  0  0
  7 14  1  0  0  0  0
 17  7  1  0  0  0  0
  7 15  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
  9 13  1  0  0  0  0
  9 12  2  0  0  0  0
 15 10  1  0  0  0  0
 14 11  1  0  0  0  0
 12 20  1  0  0  0  0
 13 19  2  0  0  0  0
 25 16  1  0  0  0  0
 21 17  1  0  0  0  0
 18 21  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 27 22  2  0  0  0  0
 28 23  2  0  0  0  0
 24 25  1  0  0  0  0
 26 24  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (2,007)
2007

>  <Formula> (2,007)
C28H37N3O3

>  <MolWeight> (2,007)
463.61168

>  <Item Name> (2,007)
Bilastine

>  <Catalog Number> (2,007)
S3721

>  <Synonyms> (2,007)
N/A

>  <Target> (2,007)
H1 receptor

>  <Form> (2,007)
free base

>  <URL> (2,007)
http://www.selleckchem.com/products/bilastine.html

>  <CAS Number> (2,007)
202189-78-4

$$$$
S3738 Travoprost.cdx
csChFnd80/01151910432D

 35 36  0  0  0  0  0  0  0  0999 V2000
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    0.0000    5.2906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2549    4.2213    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.4546    3.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3604   12.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6248    3.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8400    1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
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M  END
>  <Mol_ID> (2,008)
2008

>  <Formula> (2,008)
C26H35F3O6

>  <MolWeight> (2,008)
500.5477096

>  <Item Name> (2,008)
Travoprost

>  <Catalog Number> (2,008)
S3738

>  <Synonyms> (2,008)
Travoprostum

>  <Target> (2,008)
 Prostaglandin F receptor

>  <Form> (2,008)
free base

>  <URL> (2,008)
http://www.selleckchem.com/products/travoprost.html

>  <CAS Number> (2,008)
157283-68-6

$$$$
S3715 Boldenone Undecylenate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,009)
2009

>  <Formula> (2,009)
C30H44O3

>  <MolWeight> (2,009)
452.66856

>  <Item Name> (2,009)
Boldenone Undecylenate

>  <Catalog Number> (2,009)
S3715

>  <Synonyms> (2,009)
N/A

>  <Target> (2,009)
androgen receptor

>  <Form> (2,009)
free base

>  <URL> (2,009)
http://www.selleckchem.com/products/boldenone-undecylenate.html

>  <CAS Number> (2,009)
13103-34-9

$$$$
S3736 Fondaparinux Sodium.cdx
csChFnd80/01151910432D

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 19 36  1  1  0  0  0
 22 54  1  0  0  0  0
 62 22  1  0  0  0  0
 75 22  2  0  0  0  0
 78 22  2  0  0  0  0
 23 55  1  0  0  0  0
 61 23  1  0  0  0  0
 73 23  2  0  0  0  0
 77 23  2  0  0  0  0
 24 53  1  0  0  0  0
 63 24  1  0  0  0  0
 74 24  2  0  0  0  0
 76 24  2  0  0  0  0
 25 38  1  6  0  0  0
 29 25  1  0  0  0  0
 37 25  1  0  0  0  0
 26 84  1  1  0  0  0
 28 27  1  0  0  0  0
 27 83  1  6  0  0  0
 28 85  1  1  0  0  0
 29 86  1  1  0  0  0
 30 87  1  6  0  0  0
 42 30  1  0  0  0  0
 33 35  1  0  0  0  0
 41 34  1  0  0  0  0
 35 51  1  6  0  0  0
 40 37  1  0  0  0  0
 37 50  1  1  0  0  0
 39 89  1  6  0  0  0
 40 39  1  0  0  0  0
 42 41  1  0  0  0  0
 41 52  1  6  0  0  0
 42 88  1  1  0  0  0
 79 48  1  0  0  0  0
 82 48  2  0  0  0  0
 80 49  1  0  0  0  0
 81 49  2  0  0  0  0
 54 50  1  0  0  0  0
 53 51  1  0  0  0  0
 55 52  1  0  0  0  0
 90 89  1  0  0  0  0
 17101  2  0  0  0  0
M  END
>  <Mol_ID> (2,010)
2010

>  <Formula> (2,010)
C31H43N3Na10O49S8

>  <MolWeight> (2,010)
1728.08152

>  <Item Name> (2,010)
Fondaparinux Sodium

>  <Catalog Number> (2,010)
S3736

>  <Synonyms> (2,010)
Natural heparin pentasaccharide Sodium

>  <Target> (2,010)
Factor Xa

>  <Form> (2,010)
decasodium salt

>  <URL> (2,010)
http://www.selleckchem.com/products/fondaparinux-sodium.html

>  <CAS Number> (2,010)
114870-03-0

$$$$
S3748 Acamprosate Calcium.cdx
csChFnd80/01151910432D

 12 10  0  0  0  0  0  0  0  0999 V2000
    7.2632    1.3510    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0504    2.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4523    0.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4523    2.0503    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8279    1.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6149    2.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4068    1.3510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1701    2.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1701    3.4581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0140    1.2993    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
  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> (2,011)
2011

>  <Formula> (2,011)
C5H10NO4RS-

>  <MolWeight> (2,011)
180.2022

>  <Item Name> (2,011)
Acamprosate CalciuM

>  <Catalog Number> (2,011)
S3748

>  <Synonyms> (2,011)
N-Acetylhomotaurine Calcium, calcium acetylhomotaurinate

>  <Target> (2,011)
GABA Receptor

>  <Form> (2,011)
calcium salt

>  <URL> (2,011)
http://www.selleckchem.com/products/acamprosate-calcium.html

>  <CAS Number> (2,011)
77337-73-6

$$$$
octocrylene.cdx
csChFnd80/01151910432D

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 O   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
    4.2000    3.6373    0.0000 C   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
    0.7000    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
    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
    2.1024    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024    6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1024    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5927    6.0511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    3.6331    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0854    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4806    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1781    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5733    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    1.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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 10  2  0  0  0  0
 10  2  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  5 17  1  0  0  0  0
  4 18  1  0  0  0  0
 17 19  3  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
 24 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,012)
2012

>  <Formula> (2,012)
C24H27NO2

>  <MolWeight> (2,012)
361.47668

>  <Item Name> (2,012)
Octocrylene

>  <Catalog Number> (2,012)
S1750

>  <Synonyms> (2,012)
N/A

>  <Target> (2,012)
Others

>  <Form> (2,012)
free base

>  <URL> (2,012)
http://www.selleckchem.com/products/octocrylene.html

>  <CAS Number> (2,012)
6197-30-4

$$$$
S3944 Valproic acid.cdx
csChFnd80/01151910432D

 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> (2,013)
2013

>  <Formula> (2,013)
C8H16O2

>  <MolWeight> (2,013)
144.21144

>  <Item Name> (2,013)
Valproic acid

>  <Catalog Number> (2,013)
S3944

>  <Synonyms> (2,013)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (2,013)
HDAC1

>  <Form> (2,013)
free base

>  <URL> (2,013)
http://www.selleckchem.com/products/valproic-acid.html

>  <CAS Number> (2,013)
99-66-1

$$$$
S3953 L-Lysine hydrochloride.cdx
csChFnd80/01151910432D

 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> (2,014)
2014

>  <Formula> (2,014)
C6H15ClN2O2

>  <MolWeight> (2,014)
182.6485

>  <Item Name> (2,014)
L-Lysine hydrochloride

>  <Catalog Number> (2,014)
S3953

>  <Synonyms> (2,014)
N/A

>  <Target> (2,014)
Others

>  <Form> (2,014)
hydrochloride

>  <URL> (2,014)
http://www.selleckchem.com/products/l-lysine-hydrochloride.html

>  <CAS Number> (2,014)
657-27-2

$$$$
S3756 Methyl salicylate.cdx
csChFnd80/01151910432D

 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> (2,015)
2015

>  <Formula> (2,015)
C8H8O3

>  <MolWeight> (2,015)
152.14732

>  <Item Name> (2,015)
Methyl salicylate

>  <Catalog Number> (2,015)
S3756

>  <Synonyms> (2,015)
2-Carbomethoxyphenol, Betula oil, Gaultheria oil, Methyl 2-hydroxybenzoate, Natural wintergreen oil

>  <Target> (2,015)
TRPA1,TRPV1

>  <Form> (2,015)
free base

>  <URL> (2,015)
http://www.selleckchem.com/products/methyl-salicylate.html

>  <CAS Number> (2,015)
119-36-8

$$$$
S3973 L-SelenoMethionine.cdx
csChFnd80/01151910432D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.0987    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0629    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    1.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    3.4987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0644    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    1.3949    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0937    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  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> (2,016)
2016

>  <Formula> (2,016)
C5H11NO2Se

>  <MolWeight> (2,016)
196.10634

>  <Item Name> (2,016)
L-SelenoMethionine

>  <Catalog Number> (2,016)
S3973

>  <Synonyms> (2,016)
N/A

>  <Target> (2,016)
ROS

>  <Form> (2,016)
free base

>  <URL> (2,016)
http://www.selleckchem.com/products/l-selenomethionine.html

>  <CAS Number> (2,016)
3211-76-5

$$$$
S3770 Sodium Aescinate.cdx
csChFnd80/01151910432D

 81 89  0  0  0  0  0  0  0  0999 V2000
    1.2124   10.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    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
    6.0622    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.9000    0.0000 Na  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
    7.2746    4.2000    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
    6.0622    3.5000    0.0000 C   0  0  2  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
    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  2  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   16.9741    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    9.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6114    9.1000    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
 16 23  1  1  0  0  0
 15 24  1  6  0  0  0
 14 25  1  1  0  0  0
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 35 23  1  1  0  0  0
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 37 61  1  6  0  0  0
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M  END
>  <Mol_ID> (2,017)
2017

>  <Formula> (2,017)
C54H83NaO23

>  <MolWeight> (2,017)
1123.21279

>  <Item Name> (2,017)
Sodium Aescinate

>  <Catalog Number> (2,017)
S3770

>  <Synonyms> (2,017)
Escin sodium salt

>  <Target> (2,017)
Others

>  <Form> (2,017)
sodium salt

>  <URL> (2,017)
http://www.selleckchem.com/products/sodium-aescinate.html

>  <CAS Number> (2,017)
20977-05-3

$$$$
S3779 cis-Anethol.cdx
csChFnd80/01151910432D

 11 11  0  0  0  0  0  0  0  0999 V2000
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    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
  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
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  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> (2,018)
2018

>  <Formula> (2,018)
C10H12O

>  <MolWeight> (2,018)
148.20168

>  <Item Name> (2,018)
cis-Anethole

>  <Catalog Number> (2,018)
S3779

>  <Synonyms> (2,018)
(Z)-Anethole, Cis-p-Propenylanisole, Cis-p-Anethole

>  <Target> (2,018)
Others

>  <Form> (2,018)
free base

>  <URL> (2,018)
http://www.selleckchem.com/products/cis-anethole.html

>  <CAS Number> (2,018)
104-46-1

$$$$
S3752 isoleucine.cdx
csChFnd80/01151910432D

  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  2  0  0  0  0  0  0  0  0  0
    4.8484    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
    1.2104    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    3.4998    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
    4.8484    3.4998    0.0000 O   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  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  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,019)
2019

>  <Formula> (2,019)
C6H13NO2

>  <MolWeight> (2,019)
131.17292

>  <Item Name> (2,019)
isoleucine

>  <Catalog Number> (2,019)
S3752

>  <Synonyms> (2,019)
Ile

>  <Target> (2,019)
Others

>  <Form> (2,019)
free base

>  <URL> (2,019)
http://www.selleckchem.com/products/isoleucine.html

>  <CAS Number> (2,019)
73-32-5

$$$$
S3753 L-Leucine.cdx
csChFnd80/01151910432D

  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
    4.8484    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2104    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2104    0.0000    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  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  1  0  0  0  0
M  END
>  <Mol_ID> (2,020)
2020

>  <Formula> (2,020)
C6H13NO2

>  <MolWeight> (2,020)
131.17292

>  <Item Name> (2,020)
L-Leucine

>  <Catalog Number> (2,020)
S3753

>  <Synonyms> (2,020)
(S)-Leucine, Leu

>  <Target> (2,020)
Others

>  <Form> (2,020)
free base

>  <URL> (2,020)
http://www.selleckchem.com/products/l-leucine.html

>  <CAS Number> (2,020)
61-90-5

$$$$
S3853 Perillyl alcohol.cdx
csChFnd80/01151910432D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4227    2.0938    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4299    3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    4.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8543    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  5  9  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,021)
2021

>  <Formula> (2,021)
C10H16O

>  <MolWeight> (2,021)
152.23344

>  <Item Name> (2,021)
Perillyl alcohol

>  <Catalog Number> (2,021)
S3853

>  <Synonyms> (2,021)
Perilla alcohol, Isocarveol

>  <Target> (2,021)
Others

>  <Form> (2,021)
free base

>  <URL> (2,021)
http://www.selleckchem.com/products/perillyl-alcohol.html

>  <CAS Number> (2,021)
536-59-4

$$$$
S3963 DL-Glutamine.cdx
csChFnd80/01151910432D

 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> (2,022)
2022

>  <Formula> (2,022)
C5H10N2O3

>  <MolWeight> (2,022)
146.1445

>  <Item Name> (2,022)
DL-Glutamine

>  <Catalog Number> (2,022)
S3963

>  <Synonyms> (2,022)
Glutamin, 2-amino-4-carbamoylbutanoic acid

>  <Target> (2,022)
Others

>  <Form> (2,022)
free base

>  <URL> (2,022)
http://www.selleckchem.com/products/dl-glutamine.html

>  <CAS Number> (2,022)
6899-04-3

$$$$
S3891 Vincamine.cdx
csChFnd80/01151910432D

 27 31  0  0  0  0  0  0  0  0999 V2000
    5.0498    4.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1657    3.0634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4215    3.8093    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6096    5.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    1.7320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7213    3.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8690    2.5287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3382    4.8681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197    5.2901    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)
C21H26N2O3

>  <MolWeight> (2,023)
354.44274

>  <Item Name> (2,023)
Vincamine

>  <Catalog Number> (2,023)
S3891

>  <Synonyms> (2,023)
Angiopac, Devincan, Equipur, Minorin, Novicet, Oxybral, Perval, Sostenil, Tripervan

>  <Target> (2,023)
Others

>  <Form> (2,023)
free base

>  <URL> (2,023)
http://www.selleckchem.com/products/vincamine.html

>  <CAS Number> (2,023)
1617-90-9

$$$$
S3813 Bakuchiol.cdx
csChFnd80/01151910432D

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   10.9042    2.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 17  1  1  0  0  0
  1 18  1  0  0  0  0
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M  END
>  <Mol_ID> (2,024)
2024

>  <Formula> (2,024)
C18H24O

>  <MolWeight> (2,024)
256.38256

>  <Item Name> (2,024)
Bakuchiol

>  <Catalog Number> (2,024)
S3813

>  <Synonyms> (2,024)
(S)-(+)-Bakuchiol

>  <Target> (2,024)
Immunology & Inflammation related

>  <Form> (2,024)
free base

>  <URL> (2,024)
http://www.selleckchem.com/products/bakuchiol.html

>  <CAS Number> (2,024)
10309-37-2

$$$$
S3681.cdx
csChFnd80/01151910432D

 34 35  0  0  0  0  0  0  0  0999 V2000
    6.1163    2.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   23.0698    0.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,025)
2025

>  <Formula> (2,025)
C31H52O3

>  <MolWeight> (2,025)
472.74278

>  <Item Name> (2,025)
Vitamin E Acetate

>  <Catalog Number> (2,025)
S3681

>  <Synonyms> (2,025)
Tocopherol acetate

>  <Target> (2,025)
Others

>  <Form> (2,025)
free base

>  <URL> (2,025)
http://www.selleckchem.com/products/vitamin-e-acetate.html

>  <CAS Number> (2,025)
58-95-7

$$$$
S5107 Flavin mononucleotide.cdx
csChFnd80/01151910432D

 32 33  0  0  0  0  0  0  0  0999 V2000
    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
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    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
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 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> (2,026)
2026

>  <Formula> (2,026)
C17H20N4NaO9P

>  <MolWeight> (2,026)
478.325631

>  <Item Name> (2,026)
Flavin mononucleotide

>  <Catalog Number> (2,026)
S5107

>  <Synonyms> (2,026)
riboflavin-5'-phosphate, FMN

>  <Target> (2,026)
Others

>  <Form> (2,026)
sodium salt

>  <URL> (2,026)
http://www.selleckchem.com/products/flavin-mononucleotide.html

>  <CAS Number> (2,026)
130-40-5

$$$$
S5108 Tylosin.cdx
csChFnd80/01151910432D

 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
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   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
    3.6372   11.1621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
   13.3003    9.7201    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5271    9.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8301    2.2466    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4319    9.0672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.3597    1.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 24  1  0  0  0  0
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 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
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M  END
>  <Mol_ID> (2,027)
2027

>  <Formula> (2,027)
C46H77NO17

>  <MolWeight> (2,027)
916.10008

>  <Item Name> (2,027)
Tylosin

>  <Catalog Number> (2,027)
S5108

>  <Synonyms> (2,027)
Fradizine, Tylocine, Tylosine, Tylosin A

>  <Target> (2,027)
Antifection

>  <Form> (2,027)
free base

>  <URL> (2,027)
http://www.selleckchem.com/products/tylosin.html

>  <CAS Number> (2,027)
1401-69-0

$$$$
S5141 Pyrithioxin.cdx
csChFnd80/01151910432D

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    3.6448    4.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6398    5.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4349    3.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597    3.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2149    5.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    7.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0646    5.5826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2846    3.4870    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4945    4.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7144    2.0957    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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  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
 12 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
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M  END
>  <Mol_ID> (2,028)
2028

>  <Formula> (2,028)
C16H20N2O4S2

>  <MolWeight> (2,028)
368.471

>  <Item Name> (2,028)
Pyrithioxin

>  <Catalog Number> (2,028)
S5141

>  <Synonyms> (2,028)
Bonifen, Encefabol, Pyritinol, Vitamin B6 disulfide

>  <Target> (2,028)
Others

>  <Form> (2,028)
free base

>  <URL> (2,028)
http://www.selleckchem.com/products/pyrithioxin.html

>  <CAS Number> (2,028)
1098-97-1

$$$$
S5157 Thymol.cdx
csChFnd80/01151910432D

 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
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  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
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  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> (2,029)
2029

>  <Formula> (2,029)
C10H14O

>  <MolWeight> (2,029)
150.21756

>  <Item Name> (2,029)
Thymol

>  <Catalog Number> (2,029)
S5157

>  <Synonyms> (2,029)
2-isopropyl-5-methylphenol, IPMP

>  <Target> (2,029)
Others

>  <Form> (2,029)
free base

>  <URL> (2,029)
http://www.selleckchem.com/products/thymol.html

>  <CAS Number> (2,029)
89-83-8

$$$$
>  <Mol_ID> (2,030)
2030

>  <Item Name> (2,030)
Casanthranol

>  <Catalog Number> (2,030)
S5132

>  <Synonyms> (2,030)
N/A

>  <Target> (2,030)
Others

>  <URL> (2,030)
http://www.selleckchem.com/products/casanthranol.html

>  <CAS Number> (2,030)
8024-48-4

$$$$
S5136 Calcium folinate.cdx
csChFnd80/01151910432D

 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
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   12.1579    4.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1937    4.2115    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   14.5603    2.1226    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
  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
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  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> (2,031)
2031

>  <Formula> (2,031)
C20H21CaN7O7

>  <MolWeight> (2,031)
511.50144

>  <Item Name> (2,031)
Calcium folinate

>  <Catalog Number> (2,031)
S5136

>  <Synonyms> (2,031)
Leucovorin calcium, Folinic acid calcium salt, Wellcovorin

>  <Target> (2,031)
Others

>  <Form> (2,031)
calcium salt

>  <URL> (2,031)
http://www.selleckchem.com/products/calcium-folinate.html

>  <CAS Number> (2,031)
1492-18-8

$$$$
S5117 Doramectin.cdx
csChFnd80/01151910432D

 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
   12.1988    2.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0946    5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7652    2.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5968    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7652    6.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3020    6.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9164    6.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0114    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7652    7.7109    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9164    7.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9820    8.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5773    8.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6899    8.4217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.9820    9.8139    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.5773    9.8626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6899    9.8626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4923    7.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1990    9.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7652   10.5635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9820   11.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3020   10.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4727   10.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9164   10.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4452    9.8139    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.1990   11.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1141    9.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2623    9.8159    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9164   12.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6331    9.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4452   11.2451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7747   11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3460    8.7574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9182    9.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6331    7.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6331   11.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3978   11.4013    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9646    9.0175    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.1156    9.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9182    6.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4899   10.3171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9126   12.7121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0699    7.9437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1156    7.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1111   10.5465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6138   11.8552    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6138   13.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161   11.1636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042   13.9456    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2273   11.8500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1866   13.2426    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4042   15.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0015   11.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.9277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3020    0.7300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9500    4.9362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5773   11.3424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8052   13.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1571    8.7422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1720   16.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9944   12.1109    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 63  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 64  1  1  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  1  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 18 14  1  1  0  0  0
 16 19  2  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 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  6  0  0  0
 23 27  1  6  0  0  0
 23 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 28  1  0  0  0  0
 24 65  1  6  0  0  0
 25 31  1  6  0  0  0
 25 32  1  0  0  0  0
 27 33  1  0  0  0  0
 29 34  2  0  0  0  0
 30 35  1  0  0  0  0
 36 31  1  0  0  0  0
 32 37  1  0  0  0  0
 32 35  2  0  0  0  0
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 33 39  1  0  0  0  0
 34 39  1  0  0  0  0
 36 40  1  0  0  0  0
 36 41  1  0  0  0  0
 38 42  1  0  0  0  0
 38 43  1  0  0  0  0
 39 44  1  6  0  0  0
 40 45  1  0  0  0  0
 41 46  1  0  0  0  0
 42 47  1  0  0  0  0
 43 48  1  0  0  0  0
 45 49  1  0  0  0  0
 45 50  1  1  0  0  0
 46 51  1  1  0  0  0
 46 49  1  0  0  0  0
 47 52  1  0  0  0  0
 48 52  1  0  0  0  0
 49 53  1  6  0  0  0
 54 53  1  0  0  0  0
 54 55  1  0  0  0  0
 54 56  1  0  0  0  0
 55 57  1  0  0  0  0
 56 58  1  0  0  0  0
 57 59  1  0  0  0  0
 57 60  1  1  0  0  0
 58 61  1  1  0  0  0
 58 59  1  0  0  0  0
 59 62  1  6  0  0  0
 50 66  1  0  0  0  0
 36 67  1  1  0  0  0
 60 68  1  0  0  0  0
 54 69  1  1  0  0  0
M  END
>  <Mol_ID> (2,032)
2032

>  <Formula> (2,032)
C50H74O14

>  <MolWeight> (2,032)
899.11416

>  <Item Name> (2,032)
Doramectin

>  <Catalog Number> (2,032)
S5117

>  <Synonyms> (2,032)
Cyclohexylavermectin B1, Dectomax

>  <Target> (2,032)
Others

>  <Form> (2,032)
free base

>  <URL> (2,032)
http://www.selleckchem.com/products/doramectin.html

>  <CAS Number> (2,032)
117704-25-3

$$$$
>  <Mol_ID> (2,033)
2033

>  <Item Name> (2,033)
Lanolin

>  <Catalog Number> (2,033)
S5106

>  <Synonyms> (2,033)
wool wax, wool grease

>  <Target> (2,033)
Others

>  <URL> (2,033)
http://www.selleckchem.com/products/lanolin.html

>  <CAS Number> (2,033)
8006-54-0

$$$$
S4821 Glycine.cdx
csChFnd80/01151910432D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4255    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    2.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6995    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
M  END
>  <Mol_ID> (2,034)
2034

>  <Formula> (2,034)
C2H5NO2

>  <MolWeight> (2,034)
75.0666

>  <Item Name> (2,034)
Glycine

>  <Catalog Number> (2,034)
S4821

>  <Synonyms> (2,034)
 2-Aminoacetic acid, Aminoacetic acid, Glycocoll

>  <Target> (2,034)
Others

>  <Form> (2,034)
free base

>  <URL> (2,034)
http://www.selleckchem.com/products/glycine.html

>  <CAS Number> (2,034)
56-40-6

$$$$
S4826 Aluminium hydroxide.cdx
csChFnd80/01151910432D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.4000    1.2124    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 O   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  1  0  0  0  0
M  END
>  <Mol_ID> (2,035)
2035

>  <Formula> (2,035)
AlH3O3

>  <MolWeight> (2,035)
78.003558

>  <Item Name> (2,035)
Aluminium hydroxide

>  <Catalog Number> (2,035)
S4826

>  <Synonyms> (2,035)
Aluminic hydroxide, Aluminum trihydroxide, Aluminium(III) hydroxide

>  <Target> (2,035)
Others

>  <Form> (2,035)
free base

>  <URL> (2,035)
http://www.selleckchem.com/products/aluminium-hydroxide.html

>  <CAS Number> (2,035)
21645-51-2

$$$$
S5159 Doxycycline.cdx
csChFnd80/01151910432D

 34 37  0  0  0  0  0  0  0  0999 V2000
    7.2561    2.6311    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2561    4.0359    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4718    1.9287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0450    1.9287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0450    4.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718    4.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2229    5.5788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6828    2.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4952    0.7270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    2.6311    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0450    0.5337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8938    1.9287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.0359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    6.1479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8506    1.6778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7250    0.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2987    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 31  1  1  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  1  0  0  0
  4 10  1  0  0  0  0
  4 11  1  1  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  2  0  0  0  0
  8 16  1  0  0  0  0
  8 14  2  0  0  0  0
 10 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  1  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  1  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  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 22  2  0  0  0  0
 22 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
M  END
>  <Mol_ID> (2,036)
2036

>  <Formula> (2,036)
C22H24N2O8

>  <MolWeight> (2,036)
444.43456

>  <Item Name> (2,036)
Doxycycline

>  <Catalog Number> (2,036)
S5159

>  <Synonyms> (2,036)
Vibramycin, Doxytetracycline, Doxiciclina, Doxycyclinum

>  <Target> (2,036)
Antifection

>  <Form> (2,036)
free base

>  <URL> (2,036)
http://www.selleckchem.com/products/doxycycline.html

>  <CAS Number> (2,036)
564-25-0

$$$$
S4930 Cetilistat.cdx
csChFnd80/01151910432D

 29 30  0  0  0  0  0  0  0  0999 V2000
    6.0564    2.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8440    1.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6328    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0564    3.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    4.2081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6328    3.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221    1.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8440    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2683    4.2075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2112    3.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4836    3.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6946    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8453    5.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    6.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1199    4.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5448    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5448    5.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3324    6.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9075    6.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1200    5.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4827    6.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6951    5.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9078    3.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2702    5.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3325    3.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6329    6.3041    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
  3  2  1  0  0  0  0
  8  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  3  1  0  0  0  0
  5  4  2  0  0  0  0
 10  4  1  0  0  0  0
  6  5  1  0  0  0  0
  9  6  1  0  0  0  0
 11  7  2  0  0  0  0
  9 12  2  0  0  0  0
 13 10  1  0  0  0  0
 12 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 26 15  1  0  0  0  0
 16 17  1  0  0  0  0
 29 16  1  0  0  0  0
 17 27  1  0  0  0  0
 18 26  1  0  0  0  0
 28 18  1  0  0  0  0
 19 28  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 23 21  1  0  0  0  0
 22 23  1  0  0  0  0
 25 22  1  0  0  0  0
 24 25  1  0  0  0  0
 27 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,037)
2037

>  <Formula> (2,037)
C25H39NO3

>  <MolWeight> (2,037)
401.58206

>  <Item Name> (2,037)
Cetilistat

>  <Catalog Number> (2,037)
S4930

>  <Synonyms> (2,037)
ATL962

>  <Target> (2,037)
pancreatic lipase

>  <Form> (2,037)
free base

>  <URL> (2,037)
http://www.selleckchem.com/products/cetilistat.html

>  <CAS Number> (2,037)
282526-98-1

$$$$
S5033 Terconazole.cdx
csChFnd80/01151910432D

 36 40  0  0  0  0  0  0  0  0999 V2000
   14.3228    6.8085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.2596    5.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4554    7.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3860    5.7681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3091    9.0237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3877   11.0932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6228    8.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8401    3.5155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8270    4.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3495    9.9605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    2.1022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7801   11.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0967    9.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6290    6.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7637    3.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0526    4.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1071    6.3375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6264    4.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8465    2.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    3.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    1.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2534    7.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0462    5.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1332    3.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    1.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4576    4.1456    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6841    6.3364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5658    5.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    5.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8946    5.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2561    6.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4762    4.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0699    2.6469    0.0000 Cl  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
    0.0000    2.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  1  0  0  0
  4  1  1  0  0  0  0
  7  1  1  0  0  0  0
  1  2  1  6  0  0  0
  9  2  1  0  0  0  0
 14  2  2  0  0  0  0
  5  3  1  0  0  0  0
 17  4  1  0  0  0  0
 10  5  1  0  0  0  0
 13  5  1  0  0  0  0
  6 13  2  0  0  0  0
  6 12  1  0  0  0  0
 22  7  1  0  0  0  0
  8 16  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  1  0  0  0  0
 15  9  2  0  0  0  0
 27  9  1  0  0  0  0
 12 10  2  0  0  0  0
 11 21  1  0  0  0  0
 26 11  1  0  0  0  0
 20 11  1  0  0  0  0
 29 14  1  0  0  0  0
 15 25  1  0  0  0  0
 16 23  1  0  0  0  0
 24 16  2  0  0  0  0
 17 31  1  1  0  0  0
 17 22  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 23 33  2  0  0  0  0
 24 32  1  0  0  0  0
 25 29  2  0  0  0  0
 34 25  1  0  0  0  0
 26 35  1  0  0  0  0
 26 36  1  0  0  0  0
 28 31  1  0  0  0  0
 30 28  1  0  0  0  0
 32 30  2  0  0  0  0
 33 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,038)
2038

>  <Formula> (2,038)
C26H31Cl2N5O3

>  <MolWeight> (2,038)
532.46204

>  <Item Name> (2,038)
Terconazole

>  <Catalog Number> (2,038)
S5033

>  <Synonyms> (2,038)
Terazol 3, Terazol 7, Triaconazole, Gyno-Terazol 

>  <Target> (2,038)
Anti-infection

>  <Form> (2,038)
free base

>  <URL> (2,038)
http://selleckchem.com/products/terconazole.html

>  <CAS Number> (2,038)
67915-31-5

$$$$
S5025 Efinaconazole.cdx
csChFnd80/01151910432D

 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> (2,039)
2039

>  <Formula> (2,039)
C18H22F2N4O

>  <MolWeight> (2,039)
348.3902864

>  <Item Name> (2,039)
Efinaconazole

>  <Catalog Number> (2,039)
S5025

>  <Synonyms> (2,039)
KP-103

>  <Target> (2,039)
Anti-infection

>  <Form> (2,039)
free base

>  <URL> (2,039)
http://selleckchem.com/products/efinaconazole.html

>  <CAS Number> (2,039)
164650-44-6

$$$$
S5030 Dihydralazine sulphate.cdx
csChFnd80/01151910432D

 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> (2,040)
2040

>  <Formula> (2,040)
C8H12N6O4S

>  <MolWeight> (2,040)
288.28368

>  <Item Name> (2,040)
Dihydralazine sulphate

>  <Catalog Number> (2,040)
S5030

>  <Synonyms> (2,040)
Nepresol; Depressan; 1,4-Dihydrazinophthalazine sulfate; Hydralazine sulfate

>  <Target> (2,040)
Others

>  <URL> (2,040)
http://selleckchem.com/products/dihydralazine-sulphate.html

>  <CAS Number> (2,040)
7327-87-9

$$$$
S5031 Sulfaquinoxaline sodium.cdx
csChFnd80/01151910432D

 22 24  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
    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 N   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 N   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
   12.1244    0.7000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 S   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    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
    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
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598    1.1101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8397    1.1101    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
  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> (2,041)
2041

>  <Formula> (2,041)
C14H11N4NaO2S

>  <MolWeight> (2,041)
322.31751

>  <Item Name> (2,041)
Sulfaquinoxaline sodium

>  <Catalog Number> (2,041)
S5031

>  <Synonyms> (2,041)
SQ-Na

>  <Target> (2,041)
Anti-infection

>  <Form> (2,041)
sodium salt

>  <URL> (2,041)
http://selleckchem.com/products/sulfaquinoxaline-sodium.html

>  <CAS Number> (2,041)
967-80-6

$$$$
S5059 Pixantrone Maleate.cdx
csChFnd80/01151910432D

 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
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    3.6373    5.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,042)
2042

>  <Formula> (2,042)
C25H27N5O10

>  <MolWeight> (2,042)
557.50938

>  <Item Name> (2,042)
Pixantrone Maleate

>  <Catalog Number> (2,042)
S5059

>  <Synonyms> (2,042)
BBR-2778

>  <Target> (2,042)
Topoisomerase

>  <Form> (2,042)
dimaleate

>  <URL> (2,042)
http://selleckchem.com/products/pixantrone-maleate.html

>  <CAS Number> (2,042)
144675-97-8

$$$$
S5063 Trelagliptin succinate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,043)
2043

>  <Formula> (2,043)
C22H26FN5O6

>  <MolWeight> (2,043)
475.4701432

>  <Item Name> (2,043)
Trelagliptin succinate

>  <Catalog Number> (2,043)
S5063

>  <Synonyms> (2,043)
N/A

>  <Target> (2,043)
DPP-4

>  <Form> (2,043)
succinate

>  <URL> (2,043)
http://selleckchem.com/products/trelagliptin-succinate.html

>  <CAS Number> (2,043)
1029877-94-8

$$$$
S5070 Mupirocin calcium.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,044)
2044

>  <Formula> (2,044)
C52H90CaO20

>  <MolWeight> (2,044)
1075.337

>  <Item Name> (2,044)
Mupirocin calcium

>  <Catalog Number> (2,044)
S5070

>  <Synonyms> (2,044)
pseudomonic acid A

>  <Target> (2,044)
Anti-infection

>  <Form> (2,044)
calcium salt dihydrate

>  <URL> (2,044)
http://selleckchem.com/products/mupirocin-calcium.html

>  <CAS Number> (2,044)
115074-43-6

$$$$
S5083 Lentinan.cdx
csChFnd80/01151910432D

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A   80
n
A   81
n
M  END
>  <Mol_ID> (2,045)
2045

>  <Formula> (2,045)
C42H70O35R2

>  <MolWeight> (2,045)
1134.9842

>  <Item Name> (2,045)
Lentinan

>  <Catalog Number> (2,045)
S5083

>  <Synonyms> (2,045)
A823605, Bromoduline

>  <Target> (2,045)
Immunology & Inflammation related

>  <URL> (2,045)
http://selleckchem.com/products/lentinan.html

>  <CAS Number> (2,045)
37339-90-5

$$$$
S5206 Benzylpenicillin potassiuM.cdx
csChFnd80/01151910432D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,046)
2046

>  <Formula> (2,046)
C16H17KN2O4S

>  <MolWeight> (2,046)
372.48048

>  <Item Name> (2,046)
Benzylpenicillin potassium

>  <Catalog Number> (2,046)
S5206

>  <Synonyms> (2,046)
Penicillin G potassium

>  <Target> (2,046)
Anti-infection

>  <Form> (2,046)
potassium salt

>  <URL> (2,046)
http://selleckchem.com/products/benzylpenicillin-potassium.html

>  <CAS Number> (2,046)
113-98-4

$$$$
S5208 Ciprofloxacin hydrochloride hydrate.cdx
csChFnd80/01151910432D

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   10.9200    4.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7113    6.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2222    0.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042    0.1180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7042    1.5764    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
  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
 19 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,047)
2047

>  <Formula> (2,047)
C17H21ClFN3O4

>  <MolWeight> (2,047)
385.8177432

>  <Item Name> (2,047)
Ciprofloxacin hydrochloride hydrate

>  <Catalog Number> (2,047)
S5208

>  <Synonyms> (2,047)
Ciloxan, Ceprimax, Oftacilox

>  <Target> (2,047)
Anti-infection

>  <Form> (2,047)
hydrochloride hydrate

>  <URL> (2,047)
http://selleckchem.com/products/ciprofloxacin-hydrochloride-hydrate.html

>  <CAS Number> (2,047)
86393-32-0

$$$$
S5209 Enoxacin Sesquihydrate.cdx
csChFnd80/01151910432D

 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> (2,048)
2048

>  <Formula> (2,048)
C15H17FN4O3R

>  <MolWeight> (2,048)
320.3188832

>  <Item Name> (2,048)
Enoxacin Sesquihydrate

>  <Catalog Number> (2,048)
S5209

>  <Synonyms> (2,048)
Enoxacin hydrate

>  <Target> (2,048)
Anti-infection

>  <Form> (2,048)
sesquihydrate

>  <URL> (2,048)
http://selleckchem.com/products/enoxacin-sesquihydrate.html

>  <CAS Number> (2,048)
84294-96-2

$$$$
S5210 Sulfamethazine Sodium Salt.cdx
csChFnd80/01151910432D

 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> (2,049)
2049

>  <Formula> (2,049)
C12H13N4NaO2S

>  <MolWeight> (2,049)
300.31199

>  <Item Name> (2,049)
Sulfamethazine Sodium Salt

>  <Catalog Number> (2,049)
S5210

>  <Synonyms> (2,049)
Sulfadimethyldiazine Sodium Salt

>  <Target> (2,049)
Anti-infection

>  <Form> (2,049)
sodium salt 

>  <URL> (2,049)
http://selleckchem.com/products/sulfamethazine-sodium-salt.html

>  <CAS Number> (2,049)
1981-58-4

$$$$
S5211 4-Aminosalicylic acid.cdx
csChFnd80/01151910432D

 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> (2,050)
2050

>  <Formula> (2,050)
C7H7NO3

>  <MolWeight> (2,050)
153.13538

>  <Item Name> (2,050)
4-Aminosalicylic acid

>  <Catalog Number> (2,050)
S5211

>  <Synonyms> (2,050)
para-aminosalicylic acid, Aminosalicylic acid, 4-aminosalicylate

>  <Target> (2,050)
Anti-infection

>  <Form> (2,050)
free base

>  <URL> (2,050)
http://selleckchem.com/products/4-aminosalicylic-acid.html

>  <CAS Number> (2,050)
65-49-6

$$$$
S5039 Actarit.cdx
csChFnd80/01151910432D

 14 14  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    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
    7.2746    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
    3.6373    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 O   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
    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 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
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,051)
2051

>  <Formula> (2,051)
C10H11NO3

>  <MolWeight> (2,051)
193.19924

>  <Item Name> (2,051)
Actarit

>  <Catalog Number> (2,051)
S5039

>  <Synonyms> (2,051)
4-acetylaminophenylacetic acid

>  <Target> (2,051)
Immunology & Inflammation related

>  <Form> (2,051)
free base

>  <URL> (2,051)
http://selleckchem.com/products/actarit.html

>  <CAS Number> (2,051)
18699-02-0

$$$$
S5043 Benorylate.cdx
csChFnd80/01151910432D

 23 24  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
    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
    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 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
    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
    0.0000    4.2000    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
    6.0622    2.1000    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
    4.8497    7.0000    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
    6.0622    0.7000    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 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
    9.6995    0.0000    0.0000 N   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
   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  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
  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
 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
 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
M  END
>  <Mol_ID> (2,052)
2052

>  <Formula> (2,052)
C17H15NO5

>  <MolWeight> (2,052)
313.3047

>  <Item Name> (2,052)
Benorylate
Benorylate

>  <Catalog Number> (2,052)
S5043

>  <Synonyms> (2,052)
Benorilate, Benoral, Benortan

>  <Target> (2,052)
Immunology & Inflammation related

>  <Form> (2,052)
free base

>  <URL> (2,052)
http://selleckchem.com/products/benorylate.html

>  <CAS Number> (2,052)
5003-48-5

$$$$
S5052 Granisetron.cdx
csChFnd80/01151910432D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.0219    3.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592    5.0199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8715    4.7473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367    2.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8648    6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    3.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4468    3.3703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2415    1.2662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    1.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    3.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    1.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,053)
2053

>  <Formula> (2,053)
C18H24N4O

>  <MolWeight> (2,053)
312.40936

>  <Item Name> (2,053)
Granisetron

>  <Catalog Number> (2,053)
S5052

>  <Synonyms> (2,053)
Sancuso, Kevatril, Granisetronum, Sustol

>  <Target> (2,053)
5-HT Receptor

>  <URL> (2,053)
http://selleckchem.com/products/granisetron.html

>  <CAS Number> (2,053)
109889-09-0

$$$$
S5058 Revaprazan Hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,054)
2054

>  <Formula> (2,054)
C22H24ClFN4

>  <MolWeight> (2,054)
398.9041632

>  <Item Name> (2,054)
Revaprazan Hydrochloride

>  <Catalog Number> (2,054)
S5058

>  <Synonyms> (2,054)
YH1885

>  <Target> (2,054)
Proton Pump

>  <URL> (2,054)
http://selleckchem.com/products/revaprazan-hydrochloride.html

>  <CAS Number> (2,054)
178307-42-1

$$$$
S5062 Daclatasvir Digydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,055)
2055

>  <Formula> (2,055)
C40H52Cl2N8O6

>  <MolWeight> (2,055)
811.79688

>  <Item Name> (2,055)
Daclatasvir Digydrochloride

>  <Catalog Number> (2,055)
S5062

>  <Synonyms> (2,055)
N/A

>  <Target> (2,055)
HCV Protease

>  <Form> (2,055)
dihydrochloride 

>  <URL> (2,055)
http://selleckchem.com/products/daclatasvir-digydrochloride.html

>  <CAS Number> (2,055)
1009119-65-6

$$$$
S5066 Pramipexole dihydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,056)
2056

>  <Formula> (2,056)
C10H19Cl2N3S

>  <MolWeight> (2,056)
284.24896

>  <Item Name> (2,056)
Pramipexole dihydrochloride

>  <Catalog Number> (2,056)
S5066

>  <Synonyms> (2,056)
N/A

>  <Target> (2,056)
Dopamine Receptor

>  <Form> (2,056)
dihydrochloride 

>  <URL> (2,056)
http://selleckchem.com/products/pramipexole-dihydrochloride.html

>  <CAS Number> (2,056)
104632-25-9

$$$$
S5074 Argatroban Monohydrate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,057)
2057

>  <Formula> (2,057)
C23H38N6O6S

>  <MolWeight> (2,057)
526.64942

>  <Item Name> (2,057)
Argatroban Monohydrate

>  <Catalog Number> (2,057)
S5074

>  <Synonyms> (2,057)
Argatroban hydrate, Argipidine

>  <Target> (2,057)
Thrombin

>  <URL> (2,057)
http://selleckchem.com/products/argatroban-monohydrate.html

>  <CAS Number> (2,057)
141396-28-3

$$$$
S5075 Acotiamide.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,058)
2058

>  <Formula> (2,058)
C21H30N4O5S

>  <MolWeight> (2,058)
450.5517

>  <Item Name> (2,058)
Acotiamide

>  <Catalog Number> (2,058)
S5075

>  <Synonyms> (2,058)
Acofide

>  <Target> (2,058)
AChR

>  <Form> (2,058)
free base

>  <URL> (2,058)
http://selleckchem.com/products/acotiamide.html

>  <CAS Number> (2,058)
185106-16-5

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,059)
2059

>  <Formula> (2,059)
C21H17ClF4N4O4

>  <MolWeight> (2,059)
500.8306928

>  <Item Name> (2,059)
Regorafenib Monohydrate

>  <Catalog Number> (2,059)
S5077

>  <Synonyms> (2,059)
N/A

>  <Target> (2,059)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (2,059)
monohydrate

>  <URL> (2,059)
http://selleckchem.com/products/regorafenib-monohydrate.html

>  <CAS Number> (2,059)
1019206-88-2

$$$$
S5079 Sitagliptin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,060)
2060

>  <Formula> (2,060)
C16H15F6N5O

>  <MolWeight> (2,060)
407.3136192

>  <Item Name> (2,060)
Sitagliptin

>  <Catalog Number> (2,060)
S5079

>  <Synonyms> (2,060)
MK-0431

>  <Target> (2,060)
DPP-4

>  <Form> (2,060)
free base

>  <URL> (2,060)
http://selleckchem.com/products/sitagliptin.html

>  <CAS Number> (2,060)
486460-32-6

$$$$
S5084 Carbazochrome.cdx
csChFnd80/01151910432D

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    9.0361    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    3.8685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6356    1.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    5.2705    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
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7 12  2  0  0  0  0
  7 10  1  0  0  0  0
 10 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
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,061)
2061

>  <Formula> (2,061)
C10H12N4O3

>  <MolWeight> (2,061)
236.22728

>  <Item Name> (2,061)
Carbazochrome

>  <Catalog Number> (2,061)
S5084

>  <Synonyms> (2,061)
Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

>  <Target> (2,061)
Others

>  <Form> (2,061)
free base

>  <URL> (2,061)
http://selleckchem.com/products/carbazochrome.html

>  <CAS Number> (2,061)
69-81-8

$$$$
S5100 Pralidoxime Iodide.cdx
csChFnd80/01151910432D

 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
    3.6091    1.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    4.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8143    2.0747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    1.3798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,062)
2062

>  <Formula> (2,062)
C7H9IN2O

>  <MolWeight> (2,062)
264.06363

>  <Item Name> (2,062)
Pralidoxime Iodide

>  <Catalog Number> (2,062)
S5100

>  <Synonyms> (2,062)
2-PAM

>  <Target> (2,062)
AChR

>  <Form> (2,062)
iodide salt

>  <URL> (2,062)
http://selleckchem.com/products/pralidoxime-lodide.html

>  <CAS Number> (2,062)
94-63-3

$$$$
S5220 D-Pantethine.cdx
csChFnd80/01151910432D

 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
   14.2244    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.0119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5870    2.1000    0.0000 N   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
    8.1622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3746    0.0000    0.0000 O   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
    5.7373    2.1000    0.0000 N   0  0  0  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
    3.3124    2.1000    0.0000 C   0  0  1  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
    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
    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
    0.0000    2.6124    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
  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
 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 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  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
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  1  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 31 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (2,063)
2063

>  <Formula> (2,063)
C22H42N4O8S2

>  <MolWeight> (2,063)
554.72088

>  <Item Name> (2,063)
D-Pantethine

>  <Catalog Number> (2,063)
S5220

>  <Synonyms> (2,063)
Bis-pantethine, Pantetina, Pantomin, Pantosin

>  <Target> (2,063)
Vitamin

>  <Form> (2,063)
free base

>  <URL> (2,063)
http://selleckchem.com/products/d-pantethine.html

>  <CAS Number> (2,063)
16816-67-4

$$$$
S5305 2-Bromo-N-carbamoyl-3-methylbutanamide.cdx
csChFnd80/01151910432D

 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> (2,064)
2064

>  <Formula> (2,064)
C6H11BrN2O2

>  <MolWeight> (2,064)
223.06774

>  <Item Name> (2,064)
Bromisoval

>  <Catalog Number> (2,064)
S5305

>  <Synonyms> (2,064)
bromovalerylurea, Isobromyl, Bromaral, BRN 1773255, 2-Bromo-N-carbamoyl-3-methylbutanamide

>  <Target> (2,064)
Others

>  <Form> (2,064)
free base

>  <URL> (2,064)
http://selleckchem.com/products/bromisoval.html

>  <CAS Number> (2,064)
496-67-3

$$$$
S5309 Propyphenazone.cdx
csChFnd80/01151910432D

 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> (2,065)
2065

>  <Formula> (2,065)
C14H18N2O

>  <MolWeight> (2,065)
230.30552

>  <Item Name> (2,065)
Propyphenazone (4-Isopropylantipyrine)

>  <Catalog Number> (2,065)
S5309

>  <Synonyms> (2,065)
Isopropylantipyrine, Isopropyrine

>  <Target> (2,065)
Others

>  <Form> (2,065)
free base

>  <URL> (2,065)
http://selleckchem.com/products/propyphenazone.html

>  <CAS Number> (2,065)
479-92-5

$$$$
S4827 Manganese chloride.cdx
csChFnd80/01151910432D

  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> (2,066)
2066

>  <Formula> (2,066)
Cl2Mn

>  <MolWeight> (2,066)
125.844049

>  <Item Name> (2,066)
Manganese chloride

>  <Catalog Number> (2,066)
S4827

>  <Synonyms> (2,066)
N/A

>  <Target> (2,066)
Others

>  <Form> (2,066)
free base

>  <URL> (2,066)
http://selleckchem.com/products/manganese-chloride.html

>  <CAS Number> (2,066)
7773-01-5

$$$$
S4851 Tafluprost.cdx
csChFnd80/01151910432D

 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
    3.3400    1.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1424    3.6860    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7984    1.8764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8117    4.0853    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7886    1.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6574    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3532    6.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2927    8.0780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5987    6.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400    5.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5510    6.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1192    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2769    1.1977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3075    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3400    4.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5258    1.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8047    6.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1789    5.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7485    5.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5994    3.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7108    1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8701    6.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0591    6.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7399    8.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9694    1.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9001    3.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0506    3.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1424    5.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0892    0.8251    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
  5  1  1  0  0  0  0
  1 34  1  6  0  0  0
  8  2  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  4  1  0  0  0  0
 20  4  1  0  0  0  0
  4 33  1  1  0  0  0
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M  END
>  <Mol_ID> (2,067)
2067

>  <Formula> (2,067)
C25H34F2O5

>  <MolWeight> (2,067)
452.5312664

>  <Item Name> (2,067)
Tafluprost

>  <Catalog Number> (2,067)
S4851

>  <Synonyms> (2,067)
AFP-168

>  <Target> (2,067)
Others

>  <URL> (2,067)
http://selleckchem.com/products/tafluprost.html

>  <CAS Number> (2,067)
209860-87-7

$$$$
DIPRIVAN (propofol).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,068)
2068

>  <Formula> (2,068)
C12H18O

>  <MolWeight> (2,068)
178.27072

>  <Item Name> (2,068)
Propofol

>  <Catalog Number> (2,068)
S2023

>  <Synonyms> (2,068)
N/A

>  <Target> (2,068)
GABA Receptor

>  <URL> (2,068)
http://selleckchem.com/products/propofol-diprivan.html

>  <CAS Number> (2,068)
2078-54-8

$$$$
>  <Mol_ID> (2,069)
2069

>  <Item Name> (2,069)
Diastase

>  <Catalog Number> (2,069)
S4820

>  <Synonyms> (2,069)
N/A

>  <Target> (2,069)
Others

>  <URL> (2,069)
http://selleckchem.com/products/diastase.html

>  <CAS Number> (2,069)
9000-92-4

$$$$
S4828 Sodium carbonate.cdx
csChFnd80/01151910432D

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    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> (2,070)
2070

>  <Formula> (2,070)
CNa2O3

>  <MolWeight> (2,070)
105.98844

>  <Item Name> (2,070)
Sodium carbonate

>  <Catalog Number> (2,070)
S4828

>  <Synonyms> (2,070)
Disodium carbonate, Soda Ash, Carbonic acid disodium salt

>  <Target> (2,070)
Others

>  <URL> (2,070)
http://selleckchem.com/products/sodium-carbonate.html

>  <CAS Number> (2,070)
497-19-8

$$$$
S5018 Mebhydrolin napadisylate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,071)
2071

>  <Formula> (2,071)
C48H48N4O6S2

>  <MolWeight> (2,071)
841.04792

>  <Item Name> (2,071)
Mebhydrolin napadisylate

>  <Catalog Number> (2,071)
S5018

>  <Synonyms> (2,071)
Diazoline, Diazolin, Incidal, Omeril

>  <Target> (2,071)
Histamine Receptor

>  <Form> (2,071)
salt

>  <URL> (2,071)
http://selleckchem.com/products/mebhydrolin-napadisylate.html

>  <CAS Number> (2,071)
6153-33-9

$$$$
S5027 Mebeverine Hydrochloride.cdx
csChFnd80/01151910432D

 32 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,072)
2072

>  <Formula> (2,072)
C25H36ClNO5

>  <MolWeight> (2,072)
466.01004

>  <Item Name> (2,072)
Mebeverine Hydrochloride

>  <Catalog Number> (2,072)
S5027

>  <Synonyms> (2,072)
Duspatalin Hydrochloride, Duspatal Hydrochloride, Colofac Hydrochloride

>  <Target> (2,072)
Others

>  <Form> (2,072)
hydrochloride 

>  <URL> (2,072)
http://selleckchem.com/products/mebeverine-hydrochlo.html

>  <CAS Number> (2,072)
 2753-45-9

$$$$
S5028 Dalfampridine4-Aminopyridine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,073)
2073

>  <Formula> (2,073)
C5H6N2

>  <MolWeight> (2,073)
94.11454

>  <Item Name> (2,073)
4-Aminopyridine

>  <Catalog Number> (2,073)
S5028

>  <Synonyms> (2,073)
fampridine, dalfampridine

>  <Target> (2,073)
Potassium Channel

>  <Form> (2,073)
free base

>  <URL> (2,073)
http://selleckchem.com/products/aminopyridine.html

>  <CAS Number> (2,073)
504-24-5

$$$$
S5029 Etofylline.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,074)
2074

>  <Formula> (2,074)
C9H12N4O3

>  <MolWeight> (2,074)
224.21658

>  <Item Name> (2,074)
Etofylline

>  <Catalog Number> (2,074)
S5029

>  <Synonyms> (2,074)
Aethophyllinum, Cordalin, Oxyphylline

>  <Target> (2,074)
Others

>  <URL> (2,074)
http://selleckchem.com/products/etofylline.html

>  <CAS Number> (2,074)
 519-37-9

$$$$
S5032 Mephenesin.cdx
csChFnd80/01151910432D

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    2.4231    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2801    2.0855    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> (2,075)
2075

>  <Formula> (2,075)
C10H14O3

>  <MolWeight> (2,075)
182.21636

>  <Item Name> (2,075)
Mephenesin

>  <Catalog Number> (2,075)
S5032

>  <Synonyms> (2,075)
Decontractyl, Cresoxydiol, Memphenesin, Mephedan

>  <Target> (2,075)
NMDAR

>  <Form> (2,075)
free base

>  <URL> (2,075)
http://selleckchem.com/products/mephenesin.html

>  <CAS Number> (2,075)
59-47-2

$$$$
S5042 Bevantolol hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,076)
2076

>  <Formula> (2,076)
C20H28ClNO4

>  <MolWeight> (2,076)
381.89362

>  <Item Name> (2,076)
Bevantolol hydrochloride

>  <Catalog Number> (2,076)
S5042

>  <Synonyms> (2,076)
NC-1400 hydrochloride

>  <Target> (2,076)
Adrenergic Receptor

>  <Form> (2,076)
hydrochloride 

>  <URL> (2,076)
http://selleckchem.com/products/bevantolol-hydrochloride.html

>  <CAS Number> (2,076)
42864-78-8

$$$$
S5073 Donepezil.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,077)
2077

>  <Formula> (2,077)
C24H29NO3

>  <MolWeight> (2,077)
379.49196

>  <Item Name> (2,077)
Donepezil

>  <Catalog Number> (2,077)
S5073

>  <Synonyms> (2,077)
Aricept, Donepezilo

>  <Target> (2,077)
AChR

>  <Form> (2,077)
free base

>  <URL> (2,077)
http://selleckchem.com/products/donepezil.html

>  <CAS Number> (2,077)
120014-06-4

$$$$
S5081 Ceforanide.cdx
csChFnd80/01151910432D

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 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
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 29 33  1  0  0  0  0
 30 32  2  0  0  0  0
 31 34  1  0  0  0  0
 31 35  2  0  0  0  0
M  END
>  <Mol_ID> (2,078)
2078

>  <Formula> (2,078)
C20H21N7O6S2

>  <MolWeight> (2,078)
519.55404

>  <Item Name> (2,078)
Ceforanide

>  <Catalog Number> (2,078)
S5081

>  <Synonyms> (2,078)
N/A

>  <Target> (2,078)
Anti-infection

>  <Form> (2,078)
free base

>  <URL> (2,078)
http://selleckchem.com/products/ceforanide.html

>  <CAS Number> (2,078)
60925-61-3

$$$$
S5082VitaminK2.cdx
csChFnd80/01151910432D

 33 34  0  0  0  0  0  0  0  0999 V2000
    3.6372    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.4999    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
    2.4247    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4247    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6108    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0355    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2480    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0355    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1861    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  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  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
  1 11  2  0  0  0  0
  4 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 25 26  1  0  0  0  0
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 23 30  1  0  0  0  0
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 15 32  1  0  0  0  0
  3 13  1  0  0  0  0
  2 33  1  0  0  0  0
M  END
>  <Mol_ID> (2,079)
2079

>  <Formula> (2,079)
C31H40O2

>  <MolWeight> (2,079)
444.6481

>  <Item Name> (2,079)
 Vitamin K2

>  <Catalog Number> (2,079)
S5082

>  <Synonyms> (2,079)
menaquinone

>  <Target> (2,079)
Vitamin

>  <Form> (2,079)
free base

>  <URL> (2,079)
http://selleckchem.com/products/vitamin-k2.html

>  <CAS Number> (2,079)
863-61-6

$$$$
S5097 Methotrexate disodium.cdx
csChFnd80/01151910432D

 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
   19.4313    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4313    2.8059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6438    4.9059    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5816    7.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0065    7.0059    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.3692    4.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1567    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1567    2.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9401    2.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    2.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    4.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9383    4.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3692    6.3059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5075    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6518    2.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0817    2.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  4  1  0  0  0  0
  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
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  7  8  1  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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 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 13 20  2  0  0  0  0
 21 22  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 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
 24 33  2  0  0  0  0
 28 33  1  0  0  0  0
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 23 30  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> (2,080)
2080

>  <Formula> (2,080)
C20H20N8Na2O5

>  <MolWeight> (2,080)
498.40294

>  <Item Name> (2,080)
Methotrexate disodium

>  <Catalog Number> (2,080)
S5097

>  <Synonyms> (2,080)
N/A

>  <Target> (2,080)
DHFR,Dehydrogenase

>  <Form> (2,080)
disodium salt

>  <URL> (2,080)
http://selleckchem.com/products/methotrexate-disodium.html

>  <CAS Number> (2,080)
7413-34-5

$$$$
S5232 Alectinib hydrochloride.cdx
csChFnd80/01151910432D

 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
    9.6993    4.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   15.4173    1.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2401    2.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6708    4.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2785    4.1567    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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  5 14  2  0  0  0  0
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 11 18  1  0  0  0  0
  6 20  2  0  0  0  0
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  3 33  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> (2,081)
2081

>  <Formula> (2,081)
C30H35ClN4O2

>  <MolWeight> (2,081)
519.0775

>  <Item Name> (2,081)
Alectinib hydrochloride

>  <Catalog Number> (2,081)
S5232

>  <Synonyms> (2,081)
AF802 hydrochloride

>  <Target> (2,081)
ALK

>  <Form> (2,081)
hydrochloride 

>  <URL> (2,081)
http://selleckchem.com/products/alectinib-hydrochloride.html

>  <CAS Number> (2,081)
1256589-74-8

$$$$
S5245 Raltegravir potassium.cdx
csChFnd80/01151910432D

 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
    3.4724    3.4866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3333    1.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    1.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2559    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929    3.7756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0963    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 24  2  0  0  0  0
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M  END
>  <Mol_ID> (2,082)
2082

>  <Formula> (2,082)
C20H20FKN6O5

>  <MolWeight> (2,082)
482.5067032

>  <Item Name> (2,082)
Raltegravir potassium

>  <Catalog Number> (2,082)
S5245

>  <Synonyms> (2,082)
N/A

>  <Target> (2,082)
Integrase,HIV Protease

>  <Form> (2,082)
potassium salt

>  <URL> (2,082)
http://selleckchem.com/products/raltegravir-potassium.html

>  <CAS Number> (2,082)
871038-72-1

$$$$
S5404 Paritaprevir(ABT-450).cdx
csChFnd80/01151910432D

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 39  8  1  6  0  0  0
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M  END
>  <Mol_ID> (2,083)
2083

>  <Formula> (2,083)
C40H43N7O7S

>  <MolWeight> (2,083)
765.87712

>  <Item Name> (2,083)
Paritaprevir(ABT-450)

>  <Catalog Number> (2,083)
S5404

>  <Synonyms> (2,083)
N/A

>  <Target> (2,083)
HCV Protease

>  <Form> (2,083)
free base

>  <URL> (2,083)
http://selleckchem.com/products/paritaprevir-abt-450.html

>  <CAS Number> (2,083)
1216941-48-8

$$$$
S5048 Fosfomycin Disodium.cdx
csChFnd80/01151910432D

 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
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    2.9938    3.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7948    0.9394    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    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
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M  END
>  <Mol_ID> (2,084)
2084

>  <Formula> (2,084)
C3H5Na2O4P

>  <MolWeight> (2,084)
182.022701

>  <Item Name> (2,084)
Fosfomycin Disodium

>  <Catalog Number> (2,084)
S5048

>  <Synonyms> (2,084)
Phosphonemycin Disodium

>  <Target> (2,084)
Anti-infection

>  <URL> (2,084)
http://selleckchem.com/products/fosfomycin-disodium.html

>  <CAS Number> (2,084)
26016-99-9

$$$$
S5051 Pipemidic acid.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,085)
2085

>  <Formula> (2,085)
C14H17N5O3

>  <MolWeight> (2,085)
303.31648

>  <Item Name> (2,085)
Pipemidic acid

>  <Catalog Number> (2,085)
S5051

>  <Synonyms> (2,085)
Acido pipemidico 

>  <Target> (2,085)
Anti-infection

>  <Form> (2,085)
free base

>  <URL> (2,085)
http://selleckchem.com/products/pipemidic-acid.html

>  <CAS Number> (2,085)
51940-44-4

$$$$
S5053 Imazalil.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,086)
2086

>  <Formula> (2,086)
C14H14Cl2N2O

>  <MolWeight> (2,086)
297.17976

>  <Item Name> (2,086)
Imazalil

>  <Catalog Number> (2,086)
S5053

>  <Synonyms> (2,086)
Enilconazole, chloramizole

>  <Target> (2,086)
Others

>  <Form> (2,086)
free base

>  <URL> (2,086)
http://selleckchem.com/products/imazalil.html

>  <CAS Number> (2,086)
35554-44-0

$$$$
S5056 Dinoprost tromethamine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,087)
2087

>  <Formula> (2,087)
C24H45NO8

>  <MolWeight> (2,087)
475.616

>  <Item Name> (2,087)
Dinoprost tromethamine

>  <Catalog Number> (2,087)
S5056

>  <Synonyms> (2,087)
Dinolytic, PGF2-alpha tham, Zinoprost, Prostin F2 alpha, Dinoprost Trometamol

>  <Target> (2,087)
Others

>  <Form> (2,087)
tromethamine

>  <URL> (2,087)
http://selleckchem.com/products/.html

>  <CAS Number> (2,087)
38562-01-5

$$$$
S4890 Bifendate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,088)
2088

>  <Formula> (2,088)
C20H18O10

>  <MolWeight> (2,088)
418.35092

>  <Item Name> (2,088)
Bifendate

>  <Catalog Number> (2,088)
S4890

>  <Synonyms> (2,088)
N/A

>  <Target> (2,088)
Reverse Transcriptase

>  <Form> (2,088)
free base

>  <URL> (2,088)
http://selleckchem.com/products/bifendate.html

>  <CAS Number> (2,088)
73536-69-3

$$$$
S4999 Avermectin B1.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,089)
2089

>  <Formula> (2,089)
C48H72O14

>  <MolWeight> (2,089)
873.07688

>  <Item Name> (2,089)
Avermectin B1

>  <Catalog Number> (2,089)
S4999

>  <Synonyms> (2,089)
abamectin

>  <Target> (2,089)
Anti-infection

>  <URL> (2,089)
http://selleckchem.com/products/avermectin.html

>  <CAS Number> (2,089)
71751-41-2

$$$$
S5060 Metadoxine.cdx
csChFnd80/01151910432D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.6360    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    4.9008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8566    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308    4.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    2.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    0.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    0.0000    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
    6.0690    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2099    3.6045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9975    2.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2503    2.6678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6150    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9761    4.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7229    3.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6810    1.3888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2887    1.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6015    1.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  8  1  1  0  0  0  0
  5  2  2  0  0  0  0
  7  2  1  0  0  0  0
  6  3  2  0  0  0  0
  3  5  1  0  0  0  0
  9  4  1  0  0  0  0
  6  4  1  0  0  0  0
 12  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 18 14  2  0  0  0  0
 20 14  1  0  0  0  0
 15 16  1  6  0  0  0
 19 15  1  0  0  0  0
 17 16  2  0  0  0  0
 21 16  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,090)
2090

>  <Formula> (2,090)
C13H18N2O6

>  <MolWeight> (2,090)
298.29182

>  <Item Name> (2,090)
 Metadoxine

>  <Catalog Number> (2,090)
S5060

>  <Synonyms> (2,090)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (2,090)
Others

>  <Form> (2,090)
salt

>  <URL> (2,090)
http://selleckchem.com/products/metadoxine.html

>  <CAS Number> (2,090)
74536-44-0

$$$$
S5228 Minoxidil sulphate.cdx
csChFnd80/01151910432D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4062    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2155    5.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095    6.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6186    4.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6166    5.4560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6171    1.2133    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4062    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095    7.5728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310    3.3326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9166    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3166    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8295    0.5133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182    8.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6185    8.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6193    9.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2182    9.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4109   10.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  1  1  0  0  0  0
  8  1  1  0  0  0  0
  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
 11  7  2  0  0  0  0
 12  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 18 15  1  0  0  0  0
 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> (2,091)
2091

>  <Formula> (2,091)
C9H15N5O4S

>  <MolWeight> (2,091)
289.3115

>  <Item Name> (2,091)
Minoxidil sulphate

>  <Catalog Number> (2,091)
S5228

>  <Synonyms> (2,091)
U-58838

>  <Target> (2,091)
Others

>  <Form> (2,091)
free base

>  <URL> (2,091)
http://selleckchem.com/products/minoxidil-sulphate.html

>  <CAS Number> (2,091)
83701-22-8

$$$$
S5229 Isosorbide dinitrate.cdx
csChFnd80/01151910432D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.1387    3.3835    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1387    4.7729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4563    2.9667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7807    2.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7629    5.1851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4204    5.2121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2540    4.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8866    1.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9293    4.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3237    6.5386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2758    1.3400    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9492    6.8536    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.7238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1900    2.3573    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5711    8.2070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8496    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1433    1.9943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1073    6.1666    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 17  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  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
 10 12  1  0  0  0  0
 11 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
M  END
>  <Mol_ID> (2,092)
2092

>  <Formula> (2,092)
C6H8N2O8

>  <MolWeight> (2,092)
236.13632

>  <Item Name> (2,092)
Isosorbide dinitrate

>  <Catalog Number> (2,092)
S5229

>  <Synonyms> (2,092)
Sorbide nitrate, Sorbidnitrate, Isordil, Nitrosorbide

>  <Target> (2,092)
Others

>  <Form> (2,092)
free base

>  <URL> (2,092)
http://selleckchem.com/products/isosorbide-dinitrate.html

>  <CAS Number> (2,092)
87-33-2

$$$$
S5273 Canrenone.cdx
csChFnd80/01151910432D

 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
    9.7163    5.1770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4987    5.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1715    2.7853    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9789    4.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9569    5.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4299    2.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5682    6.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1535    6.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0284    2.1168    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7948    4.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871    7.5609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8113    2.7975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0284    0.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6559    2.1622    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8897    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6559    0.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4510    2.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6188    3.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4758    0.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256    2.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256    0.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1715    1.5103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9789    3.5568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8318    1.4277    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  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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  6  0  0  0
  7 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 11  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 27  1  1  0  0  0
 13 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  6  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  1  0  0  0
 18 19  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,093)
2093

>  <Formula> (2,093)
C22H28O3

>  <MolWeight> (2,093)
340.45592

>  <Item Name> (2,093)
Canrenone

>  <Catalog Number> (2,093)
S5273

>  <Synonyms> (2,093)
Aldadiene, SC-9376, RP-11614, 6,7-Dehydro-7¦Á-desthioacetylspironolactone

>  <Target> (2,093)
Others

>  <Form> (2,093)
free base

>  <URL> (2,093)
http://selleckchem.com/products/canrenone.html

>  <CAS Number> (2,093)
976-71-6

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/01151910432D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    0.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545    1.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    1.1273    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    5.8283    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
 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> (2,094)
2094

>  <Formula> (2,094)
C10H16N5O8P

>  <MolWeight> (2,094)
365.236501

>  <Item Name> (2,094)
Adenosine 5'-monophosphate monohydrate

>  <Catalog Number> (2,094)
S5284

>  <Synonyms> (2,094)
5'-Adenylic acid, 5'-AMP

>  <Target> (2,094)
AMPK

>  <Form> (2,094)
hydrate 

>  <URL> (2,094)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

>  <CAS Number> (2,094)
18422-05-4

$$$$
S5311 Pyridoxal phosphate.cdx
csChFnd80/01151910432D

 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
    8.4766    2.8035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.9133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8987    4.0815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  2  0  0  0  0
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 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
  4 14  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,095)
2095

>  <Formula> (2,095)
C8H10NO6P

>  <MolWeight> (2,095)
247.141861

>  <Item Name> (2,095)
Pyridoxal phosphate

>  <Catalog Number> (2,095)
S5311

>  <Synonyms> (2,095)
pyridoxal 5'-phosphate, PAL-P, PLP, Vitamin B6 phosphate

>  <Target> (2,095)
Vitamin

>  <Form> (2,095)
free base

>  <URL> (2,095)
http://selleckchem.com/products/pyridoxal-phosphate.html

>  <CAS Number> (2,095)
54-47-7

$$$$
S5402 Dasabuvir(ABT-333).cdx
csChFnd80/01151910432D

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    2.4249    0.5124    0.0000 N   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
    3.6373    2.6124    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
    6.0622    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9124    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    8.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  8  2  0  0  0  0
  9  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
  7 29  1  0  0  0  0
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 11 10  2  0  0  0  0
 10  8  1  0  0  0  0
 13 14  2  0  0  0  0
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 27 25  2  0  0  0  0
 25 24  1  0  0  0  0
 24 15  2  0  0  0  0
 15 14  1  0  0  0  0
 17 16  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 16  1  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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 15 16  1  0  0  0  0
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  2 30  2  0  0  0  0
  2 31  2  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  0  0  0  0
 28 35  1  0  0  0  0
M  END
>  <Mol_ID> (2,096)
2096

>  <Formula> (2,096)
C26H27N3O5S

>  <MolWeight> (2,096)
493.57468

>  <Catalog Number> (2,096)
S5402

>  <Synonyms> (2,096)
N/A

>  <Target> (2,096)
HCV Protease

>  <Form> (2,096)
free base

>  <URL> (2,096)
http://selleckchem.com/products/dasabuvir-abt-333.html

>  <CAS Number> (2,096)
1132935-63-7

$$$$
S4995 Nicotinic acid N-oxide.cdx
csChFnd80/01151910432D

 10 10  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 N   0  3  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    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    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  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> (2,097)
2097

>  <Formula> (2,097)
C6H5NO3

>  <MolWeight> (2,097)
139.1088

>  <Item Name> (2,097)
Nicotinic acid N-oxide

>  <Catalog Number> (2,097)
S4995

>  <Synonyms> (2,097)
Oxiniacic acid, Nicotinic acid 1-oxide

>  <Target> (2,097)
Others

>  <Form> (2,097)
free base

>  <URL> (2,097)
http://selleckchem.com/products/nicotinic-acid-n-oxide.html

>  <CAS Number> (2,097)
2398-81-4

$$$$
S5324 Oxidopamine (hydrobromide).cdx
csChFnd80/01151910432D

 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
    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
    0.0000    2.8000    0.0000 O   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
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8335    0.5282    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  2  0  0  0  0
  4  8  1  0  0  0  0
  5  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
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,098)
2098

>  <Formula> (2,098)
C8H12BrNO3

>  <MolWeight> (2,098)
250.08978

>  <Item Name> (2,098)
Oxidopamine (hydrobromide)

>  <Catalog Number> (2,098)
S5324

>  <Synonyms> (2,098)
6-hydroxydopamine; 6-OHDA; 2,4,5-trihydroxyphenethylamine

>  <Target> (2,098)
Dopamine Receptor

>  <Form> (2,098)
hydrobromide 

>  <URL> (2,098)
http://selleckchem.com/products/oxidopamine-hydrobromide.html

>  <CAS Number> (2,098)
636-00-0

$$$$
S5483 Trimethobenzamide Hydrochloride.cdx
csChFnd80/01151910432D

 29 29  0  0  0  0  0  0  0  0999 V2000
    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
    4.8383    2.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0478    4.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    4.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2612    4.2146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0478    6.3123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    2.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6842    4.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6842    2.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9026    4.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8893    2.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1079    4.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1064    2.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3312    2.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5541    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7602    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9747    2.8262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9747    4.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1849    2.1274    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
  3  6  2  0  0  0  0
  4  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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  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
 12 16  1  0  0  0  0
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 16 18  2  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  2  0  0  0  0
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 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
M  END
>  <Mol_ID> (2,099)
2099

>  <Formula> (2,099)
C21H29ClN2O5

>  <MolWeight> (2,099)
424.91836

>  <Item Name> (2,099)
Tribenzagan Hydrochloride

>  <Catalog Number> (2,099)
S5483

>  <Synonyms> (2,099)
Tribenzagan Hydrochloride

>  <Target> (2,099)
Others

>  <Form> (2,099)
hydrochloride 

>  <URL> (2,099)
http://selleckchem.com/products/trimethobenzamide-hydrochloride.html

>  <CAS Number> (2,099)
554-92-7

$$$$
S5484 Rimantadine Hydrochloride.cdx
csChFnd80/01151910432D

 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
    1.0910    1.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613    0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2939    0.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5663    1.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3568    1.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037    3.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0832    2.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5832    2.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3020    4.4776    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5166    5.1811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0857    5.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7557    2.6664    0.0000 Cl  0  0  0  0  0  0  0  0  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
  7  8  1  0  0  0  0
  3  7  1  0  0  0  0
  2  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10  8  1  0  0  0  0
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 11 12  1  0  0  0  0
  1  2  1  0  0  0  0
 11 13  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
>  <Mol_ID> (2,100)
2100

>  <Formula> (2,100)
C12H22ClN

>  <MolWeight> (2,100)
215.76278

>  <Item Name> (2,100)
Rimantadine Hydrochloride

>  <Catalog Number> (2,100)
S5484

>  <Synonyms> (2,100)
N/A

>  <Target> (2,100)
DNA/RNA Synthesis

>  <Form> (2,100)
hydrochloride 

>  <URL> (2,100)
http://selleckchem.com/products/rimantadine-hydrochloride.html

>  <CAS Number> (2,100)
1501-84-4

$$$$
S5215 Abacavir.cdx
csChFnd80/01151910432D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.8365    7.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8313    6.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    8.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1696    8.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1612    5.9723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6216    5.7174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4170    7.8220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5889    4.6392    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4106    6.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   10.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    3.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9185    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1981    5.7241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6523   11.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5798    2.3738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9130    2.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1421    1.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0749    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
 10  5  1  1  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 11  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
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 17  1  0  0  0  0
 18 20  1  1  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,101)
2101

>  <Formula> (2,101)
C14H18N6O

>  <MolWeight> (2,101)
286.33232

>  <Item Name> (2,101)
Abacavir

>  <Catalog Number> (2,101)
S5215

>  <Synonyms> (2,101)
N/A

>  <Target> (2,101)
Reverse Transcriptase

>  <Form> (2,101)
free base

>  <URL> (2,101)
http://selleckchem.com/products/abacavir.html

>  <CAS Number> (2,101)
136470-78-5

$$$$
S5218 Iodixanol.cdx
csChFnd80/01151910432D

 62 63  0  0  0  0  0  0  0  0999 V2000
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.2488    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   20.6114   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   24.2488    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
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   10.9118    4.9000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    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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  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
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  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 14  2  0  0  0  0
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 28 34  2  0  0  0  0
 29 35  1  0  0  0  0
 29 36  1  0  0  0  0
 30 37  1  0  0  0  0
 30 38  1  0  0  0  0
 31 39  2  0  0  0  0
 31 40  1  0  0  0  0
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 32 42  1  0  0  0  0
 35 43  1  0  0  0  0
 37 44  1  0  0  0  0
 39 45  1  0  0  0  0
 39 46  1  0  0  0  0
 41 47  1  0  0  0  0
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 45 48  1  0  0  0  0
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 46 50  2  0  0  0  0
 47 51  1  0  0  0  0
 47 52  2  0  0  0  0
 49 53  1  0  0  0  0
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 53 55  1  0  0  0  0
 54 56  1  0  0  0  0
 55 57  1  0  0  0  0
 55 58  1  0  0  0  0
 56 59  1  0  0  0  0
 56 60  1  0  0  0  0
 57 61  1  0  0  0  0
 59 62  1  0  0  0  0
M  END
>  <Mol_ID> (2,102)
2102

>  <Formula> (2,102)
C35H44I6N6O15

>  <MolWeight> (2,102)
1550.18188

>  <Item Name> (2,102)
Iodixanol

>  <Catalog Number> (2,102)
S5218

>  <Synonyms> (2,102)
N/A

>  <Target> (2,102)
Others

>  <Form> (2,102)
free base

>  <URL> (2,102)
http://selleckchem.com/products/iodixanol.html

>  <CAS Number> (2,102)
92339-11-2

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/01151910432D

 28 30  0  0  0  0  0  0  0  0999 V2000
    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
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9496    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1591    2.8229    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7640    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    4.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  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
  6  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  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
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
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M  END
>  <Mol_ID> (2,103)
2103

>  <Formula> (2,103)
C17H21N6O4P

>  <MolWeight> (2,103)
404.360201

>  <Item Name> (2,103)
Ruxolitinib Phosphate

>  <Catalog Number> (2,103)
S5243

>  <Synonyms> (2,103)
INCB018424, INC424

>  <Target> (2,103)
JAK

>  <Form> (2,103)
phosphate 

>  <URL> (2,103)
http://selleckchem.com/products/ruxolitinib-phosphate.html

>  <CAS Number> (2,103)
1092939-17-7

$$$$
S5252 Ozagrel sodium.cdx
csChFnd80/01151910432D

 18 18  0  0  0  0  0  0  0  0999 V2000
   13.4074    2.1106    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   10.7002    2.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4889    2.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2753    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9137    2.1134    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0640    2.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0662    0.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8549    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6391    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8505    2.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6981    2.3791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9384    0.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2165    0.6981    0.0000 N   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
  2  5  2  0  0  0  0
  2  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
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  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
 14 18  1  0  0  0  0
 13 18  1  0  0  0  0
 10 13  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,104)
2104

>  <Formula> (2,104)
C13H11N2NaO2

>  <MolWeight> (2,104)
250.22841

>  <Item Name> (2,104)
Ozagrel sodium

>  <Catalog Number> (2,104)
S5252

>  <Synonyms> (2,104)
KCT-0809, Cataclot, Xanbo 

>  <Target> (2,104)
Thrombin

>  <URL> (2,104)
http://selleckchem.com/products/ozagrel-sodium.html

>  <CAS Number> (2,104)
189224-26-8

$$$$
S5253 Cisapride.cdx
csChFnd80/01151910432D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,105)
2105

>  <Formula> (2,105)
C23H29ClFN3O4

>  <MolWeight> (2,105)
465.9454632

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Cisapride

>  <Catalog Number> (2,105)
S5253

>  <Synonyms> (2,105)
Kaudalit, Kinestase, Prepulsid, Presid, Pridesia, Propulsid

>  <Target> (2,105)
5-HT Receptor

>  <URL> (2,105)
http://selleckchem.com/products/cisapride.html

>  <CAS Number> (2,105)
81098-60-4

$$$$
S5257 Doxapram.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,106)
2106

>  <Formula> (2,106)
C24H30N2O2

>  <MolWeight> (2,106)
378.5072

>  <Item Name> (2,106)
Doxapram

>  <Catalog Number> (2,106)
S5257

>  <Synonyms> (2,106)
N/A

>  <Target> (2,106)
Others

>  <Form> (2,106)
free base

>  <URL> (2,106)
http://selleckchem.com/products/doxapram.html

>  <CAS Number> (2,106)
309-29-5

$$$$
S5268 Solithromycin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,107)
2107

>  <Formula> (2,107)
C43H65FN6O10

>  <MolWeight> (2,107)
845.0088032

>  <Item Name> (2,107)
Solithromycin

>  <Catalog Number> (2,107)
S5268

>  <Synonyms> (2,107)
CEM-101, OP-1068

>  <Target> (2,107)
Anti-infection

>  <Form> (2,107)
free base

>  <URL> (2,107)
http://selleckchem.com/products/solithromycin.html

>  <CAS Number> (2,107)
760981-83-7

$$$$
S5490 Disopyramide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,108)
2108

>  <Formula> (2,108)
C21H29N3O

>  <MolWeight> (2,108)
339.47446

>  <Item Name> (2,108)
Disopyramide

>  <Catalog Number> (2,108)
S5490

>  <Synonyms> (2,108)
N/A

>  <Target> (2,108)
Sodium Channel

>  <URL> (2,108)
http://selleckchem.com/products/disopyramide.html

>  <CAS Number> (2,108)
3737-09-5

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,109)
2109

>  <Formula> (2,109)
C22H25Cl2FN4O3

>  <MolWeight> (2,109)
483.3633032

>  <Item Name> (2,109)
Gefitinib hydrochloride

>  <Catalog Number> (2,109)
S5098

>  <Synonyms> (2,109)
ZD1839 hydrochloride

>  <Target> (2,109)
EGFR

>  <Form> (2,109)
hydrochloride 

>  <URL> (2,109)
http://selleckchem.com/products/gefitinib-hydrochloride.html

>  <CAS Number> (2,109)
184475-55-6

$$$$
S5233 Fenretinide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,110)
2110

>  <Formula> (2,110)
C26H33NO2

>  <MolWeight> (2,110)
391.54572

>  <Item Name> (2,110)
Fenretinide

>  <Catalog Number> (2,110)
S5233

>  <Synonyms> (2,110)
4-hydroxy(phenyl)retinamide, 4-HPR, MK-4016

>  <Target> (2,110)
Others

>  <Form> (2,110)
free base

>  <URL> (2,110)
http://selleckchem.com/products/fenretinide.html

>  <CAS Number> (2,110)
65646-68-6

$$$$
S5246 Entecavir.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,111)
2111

>  <Formula> (2,111)
C12H15N5O3

>  <MolWeight> (2,111)
277.2792

>  <Item Name> (2,111)
Entecavir

>  <Catalog Number> (2,111)
S5246

>  <Synonyms> (2,111)
N/A

>  <Target> (2,111)
Reverse Transcriptase

>  <Form> (2,111)
free base

>  <URL> (2,111)
http://selleckchem.com/products/entecavir.html

>  <CAS Number> (2,111)
142217-69-4

$$$$
S5250 Darunavir.cdx
csChFnd80/01151910432D

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 11  5  1  0  0  0  0
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 17  7  1  0  0  0  0
 12  8  1  0  0  0  0
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 31 16  1  0  0  0  0
 18 30  1  0  0  0  0
 27 20  1  0  0  0  0
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M  END
>  <Mol_ID> (2,112)
2112

>  <Formula> (2,112)
C27H37N3O7S

>  <MolWeight> (2,112)
547.66358

>  <Item Name> (2,112)
Darunavir

>  <Catalog Number> (2,112)
S5250

>  <Synonyms> (2,112)
TMC114

>  <Target> (2,112)
HIV Protease

>  <Form> (2,112)
free base

>  <URL> (2,112)
http://selleckchem.com/products/darunavir.html

>  <CAS Number> (2,112)
206361-99-1

$$$$
S5261 Ufenamate.cdx
csChFnd80/01151910432D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  1  4  2  0  0  0  0
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  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
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
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  9 14  1  0  0  0  0
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 13 16  2  0  0  0  0
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M  END
>  <Mol_ID> (2,113)
2113

>  <Formula> (2,113)
C18H18F3NO2

>  <MolWeight> (2,113)
337.3362296

>  <Item Name> (2,113)
Ufenamate

>  <Catalog Number> (2,113)
S5261

>  <Synonyms> (2,113)
Butyl flufenamate, Flufenamic acid butyl ester, fenazol

>  <Target> (2,113)
Immunology & Inflammation related

>  <Form> (2,113)
free base

>  <URL> (2,113)
http://selleckchem.com/products/ufenamate.html

>  <CAS Number> (2,113)
67330-25-0

$$$$
S5271 Suloctidil.cdx
csChFnd80/01151910432D

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 10 13  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
M  END
>  <Mol_ID> (2,114)
2114

>  <Formula> (2,114)
C20H35NOS

>  <MolWeight> (2,114)
337.563

>  <Item Name> (2,114)
Suloctidil

>  <Catalog Number> (2,114)
S5271

>  <Synonyms> (2,114)
N/A

>  <Target> (2,114)
Others

>  <Form> (2,114)
free base

>  <URL> (2,114)
http://selleckchem.com/products/suloctidil.html

>  <CAS Number> (2,114)
54767-75-8

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/01151910432D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6324    3.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6324    4.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8408    5.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4119    5.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,115)
2115

>  <Formula> (2,115)
C23H26ClN

>  <MolWeight> (2,115)
351.91224

>  <Item Name> (2,115)
Fendiline hydrochloride

>  <Catalog Number> (2,115)
S5279

>  <Synonyms> (2,115)
N/A

>  <Target> (2,115)
Calcium Channel,Ras

>  <Form> (2,115)
hydrochloride 

>  <URL> (2,115)
http://selleckchem.com/products/fendiline-hydrochloride.html

>  <CAS Number> (2,115)
13636-18-5

$$$$
S5286 Ramatroban.cdx
csChFnd80/01151910432D

 29 32  0  0  0  0  0  0  0  0999 V2000
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    3.5926    3.9301    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
  3  8  2  0  0  0  0
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M  END
>  <Mol_ID> (2,116)
2116

>  <Formula> (2,116)
C21H21FN2O4S

>  <MolWeight> (2,116)
416.4658432

>  <Item Name> (2,116)
Ramatroban

>  <Catalog Number> (2,116)
S5286

>  <Synonyms> (2,116)
BAY u 3405

>  <Target> (2,116)
Thrombin

>  <Form> (2,116)
free base

>  <URL> (2,116)
http://selleckchem.com/products/ramatroban.html

>  <CAS Number> (2,116)
116649-85-5

$$$$
S5291 Sulfisomidin.cdx
csChFnd80/01151910432D

 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
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    1.2100    2.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6163    2.0992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4627    7.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6152    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4159    0.0080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    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  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  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
 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
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,117)
2117

>  <Formula> (2,117)
C12H14N4O2S

>  <MolWeight> (2,117)
278.33016

>  <Item Name> (2,117)
sulfaisodimidine

>  <Catalog Number> (2,117)
S5291

>  <Synonyms> (2,117)
sulfamethin, sulfaisodimidine

>  <Target> (2,117)
Anti-infection

>  <Form> (2,117)
free base

>  <URL> (2,117)
http://selleckchem.com/products/sulfaisodimidine.html

>  <CAS Number> (2,117)
515-64-0

$$$$
S5293 Nimustine Hydrochloride.cdx
csChFnd80/01151910432D

 19 18  0  0  0  0  0  0  0  0999 V2000
    8.4870    3.5237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8237    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1240    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  2  0  0  0  0
  4  5  2  0  0  0  0
  1  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  6  1  0  0  0  0
  2  9  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
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 10 14  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,118)
2118

>  <Formula> (2,118)
C9H14Cl2N6O2

>  <MolWeight> (2,118)
309.15246

>  <Item Name> (2,118)
Nimustine Hydrochloride

>  <Catalog Number> (2,118)
S5293

>  <Synonyms> (2,118)
Nidran hydrochloride

>  <Target> (2,118)
DNA/RNA Synthesis

>  <Form> (2,118)
hydrochloride

>  <URL> (2,118)
http://selleckchem.com/products/nimustine-hydrochloride.html

>  <CAS Number> (2,118)
55661-38-6

$$$$
S5295 Lincomycin Hydrochloride Monohydrate.cdx
csChFnd80/01151910432D

 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
    1.9795    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (2,119)
2119

>  <Formula> (2,119)
C18H37ClN2O7S

>  <MolWeight> (2,119)
461.01358

>  <Item Name> (2,119)
Lincomycin Hydrochloride Monohydrate

>  <Catalog Number> (2,119)
S5295

>  <Synonyms> (2,119)
N/A

>  <Target> (2,119)
Anti-infection

>  <Form> (2,119)
hydrochloride, hydrate

>  <URL> (2,119)
http://selleckchem.com/products/lincomycin-hydrochloride-monohydrate.html

>  <CAS Number> (2,119)
7179-49-9

$$$$
S5296 Cephradine monohydrate.cdx
csChFnd80/01151910432D

 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> (2,120)
2120

>  <Formula> (2,120)
C16H21N3O5S

>  <MolWeight> (2,120)
367.42004

>  <Item Name> (2,120)
Cephradine monohydrate

>  <Catalog Number> (2,120)
S5296

>  <Synonyms> (2,120)
N/A

>  <Target> (2,120)
Anti-infection

>  <Form> (2,120)
hydrate 

>  <URL> (2,120)
http://selleckchem.com/products/cephradine-monohydrate.html

>  <CAS Number> (2,120)
75975-70-1

$$$$
S5297 Vidarabine monohydrate.cdx
csChFnd80/01151910432D

 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> (2,121)
2121

>  <Formula> (2,121)
C10H15N5O5

>  <MolWeight> (2,121)
285.2566

>  <Item Name> (2,121)
Vidarabine monohydrate

>  <Catalog Number> (2,121)
S5297

>  <Synonyms> (2,121)
Spongoadenosine monohydrate, Vira-A monohydrate

>  <Target> (2,121)
DNA/RNA Synthesis

>  <Form> (2,121)
hydrate 

>  <URL> (2,121)
http://selleckchem.com/products/vidarabine-monohydrate.html

>  <CAS Number> (2,121)
24356-66-9

$$$$
S5298 Amoxicillin trihydrate.cdx
csChFnd80/01151910432D

 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> (2,122)
2122

>  <Formula> (2,122)
C16H25N3O8S

>  <MolWeight> (2,122)
419.45

>  <Item Name> (2,122)
Amoxicillin trihydrate

>  <Catalog Number> (2,122)
S5298

>  <Synonyms> (2,122)
Amoxil trihydrate, Amoxipen trihydrate, Moxaline trihydrate 

>  <Target> (2,122)
Anti-infection

>  <Form> (2,122)
trihydrate

>  <URL> (2,122)
http://selleckchem.com/products/amoxicillin-trihydrate.html

>  <CAS Number> (2,122)
61336-70-7

$$$$
S5447 Triprolidine hydrochloride monohydrate.cdx
csChFnd80/01151910432D

 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> (2,123)
2123

>  <Formula> (2,123)
C19H25ClN2O

>  <MolWeight> (2,123)
332.8676

>  <Item Name> (2,123)
Triprolidine Hydrochloride

>  <Catalog Number> (2,123)
S5447

>  <Synonyms> (2,123)
N/A

>  <Target> (2,123)
Histamine Receptor

>  <Form> (2,123)
hydrochloride, hydrate

>  <URL> (2,123)
http://selleckchem.com/products/triprolidine-hydrochloride.html

>  <CAS Number> (2,123)
6138-79-0

$$$$
S5479 Cloperastine hydrochloride.cdx
csChFnd80/01151910432D

 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> (2,124)
2124

>  <Formula> (2,124)
C20H25Cl2NO

>  <MolWeight> (2,124)
366.3246

>  <Item Name> (2,124)
Cloperastine hydrochloride

>  <Catalog Number> (2,124)
S5479

>  <Synonyms> (2,124)
HT-11 hydrochloride

>  <Target> (2,124)
Histamine Receptor

>  <Form> (2,124)
hydrochloride 

>  <URL> (2,124)
http://selleckchem.com/products/cloperastine-hydrochloride.html

>  <CAS Number> (2,124)
14984-68-0

$$$$
S5481 Molindone hydrochloride.cdx
csChFnd80/01151910432D

 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> (2,125)
2125

>  <Formula> (2,125)
C16H25ClN2O2

>  <MolWeight> (2,125)
312.8349

>  <Item Name> (2,125)
Molindone hydrochloride

>  <Catalog Number> (2,125)
S5481

>  <Synonyms> (2,125)
N/A

>  <Target> (2,125)
Dopamine Receptor

>  <Form> (2,125)
hydrochloride 

>  <URL> (2,125)
http://selleckchem.com/products/molindone-hydrochloride.html

>  <CAS Number> (2,125)
 15622-65-8

$$$$
S5492 Econazole.cdx
csChFnd80/01151910432D

 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> (2,126)
2126

>  <Formula> (2,126)
C18H15Cl3N2O

>  <MolWeight> (2,126)
381.6835

>  <Item Name> (2,126)
Econazole

>  <Catalog Number> (2,126)
S5492

>  <Synonyms> (2,126)
N/A

>  <Target> (2,126)
Anti-infection

>  <Form> (2,126)
free base

>  <URL> (2,126)
http://selleckchem.com/products/econazole.html

>  <CAS Number> (2,126)
27220-47-9

$$$$
S5497 Iopanoic acid.cdx
csChFnd80/01151910432D

 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> (2,127)
2127

>  <Formula> (2,127)
C11H12I3NO2

>  <MolWeight> (2,127)
570.93189

>  <Item Name> (2,127)
Iopanoic acid

>  <Catalog Number> (2,127)
S5497

>  <Synonyms> (2,127)
Acidum iopanoicum, Iodopanoic acid

>  <Target> (2,127)
Others

>  <Form> (2,127)
free base

>  <URL> (2,127)
http://selleckchem.com/products/iopanoic-acid.html

>  <CAS Number> (2,127)
96-83-3

$$$$
S5498 Betahistine mesylate.cdx
csChFnd80/01151910432D

 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> (2,128)
2128

>  <Formula> (2,128)
C10H20N2O6S2

>  <MolWeight> (2,128)
328.4056

>  <Item Name> (2,128)
Betahistine mesylate

>  <Catalog Number> (2,128)
S5498

>  <Synonyms> (2,128)
N/A

>  <Target> (2,128)
Histamine Receptor

>  <Form> (2,128)
dimethanesulfonate 

>  <URL> (2,128)
http://selleckchem.com/products/betahistine-mesylate.html

>  <CAS Number> (2,128)
54856-23-4

$$$$
S5499 Amantadine.cdx
csChFnd80/01151910432D

 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> (2,129)
2129

>  <Formula> (2,129)
C10H17N

>  <MolWeight> (2,129)
151.24868

>  <Item Name> (2,129)
Amantadine

>  <Catalog Number> (2,129)
S5499

>  <Synonyms> (2,129)
1-Adamantanamine, 1-Adamantylamine, 1-Aminoadamantane

>  <Target> (2,129)
Anti-infection

>  <Form> (2,129)
free base

>  <URL> (2,129)
http://selleckchem.com/products/amantadine.html

>  <CAS Number> (2,129)
768-94-5

$$$$
S5508 Dehydroepiandrosterone acetate.cdx
csChFnd80/01151910432D

 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> (2,130)
2130

>  <Formula> (2,130)
C21H30O3

>  <MolWeight> (2,130)
330.4611

>  <Item Name> (2,130)
Dehydroepiandrosterone acetate

>  <Catalog Number> (2,130)
S5508

>  <Synonyms> (2,130)
DHEA acetate, androstenolone acetate

>  <Target> (2,130)
Others

>  <Form> (2,130)
free base

>  <URL> (2,130)
http://selleckchem.com/products/dehydroepiandrosterone-acetate.html

>  <CAS Number> (2,130)
853-23-6

$$$$
S5515 Penicillin G Procaine.cdx
csChFnd80/01151910432D

 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> (2,131)
2131

>  <Formula> (2,131)
C29H40N4O7S

>  <MolWeight> (2,131)
588.7155

>  <Item Name> (2,131)
Penicillin G Procaine

>  <Catalog Number> (2,131)
S5515

>  <Synonyms> (2,131)
Procaine benzylpenicillin

>  <Target> (2,131)
Anti-infection

>  <Form> (2,131)
salt

>  <URL> (2,131)
http://selleckchem.com/products/penicillin-g-procaine.html

>  <CAS Number> (2,131)
6130-64-9

$$$$
S3805 Stevioside.cdx
csChFnd80/01151910432D

 58 64  0  0  0  0  0  0  0  0999 V2000
   10.1410    8.2935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9860    8.9824    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3041    8.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4407    7.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1327    6.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8326    8.3079    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9943   10.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2928   10.2926    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7876    9.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9986    6.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8537    6.9734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6780    8.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1383   10.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7412   11.9068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6902    6.2892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5145    8.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4208   13.1588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5356    6.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1416    5.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7273   14.3709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8236   13.1501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7482    4.9476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3540   14.3795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4556   15.6032    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.1686    3.6732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,132)
2132

>  <Formula> (2,132)
C38H60O18

>  <MolWeight> (2,132)
804.8722

>  <Item Name> (2,132)
Stevioside

>  <Catalog Number> (2,132)
S3805

>  <Synonyms> (2,132)
N/A

>  <Target> (2,132)
Others

>  <Form> (2,132)
free base

>  <URL> (2,132)
http://selleckchem.com/products/stevioside.html

>  <CAS Number> (2,132)
57817-89-7

$$$$
S3972 Lobeline  hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,133)
2133

>  <Formula> (2,133)
C22H28ClNO2

>  <MolWeight> (2,133)
373.91622

>  <Item Name> (2,133)
Lobeline hydrochloride

>  <Catalog Number> (2,133)
S3972

>  <Synonyms> (2,133)
N/A

>  <Target> (2,133)
AChR,Opioid Receptor

>  <Form> (2,133)
hydrochloride 

>  <URL> (2,133)
http://selleckchem.com/products/lobeline-hydrochloride.html

>  <CAS Number> (2,133)
134-63-4

$$$$
S4590 Dithranol.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,134)
2134

>  <Formula> (2,134)
C14H10O3

>  <MolWeight> (2,134)
226.2274

>  <Item Name> (2,134)
Dithranol

>  <Catalog Number> (2,134)
S4590

>  <Synonyms> (2,134)
Anthralin; cignoline; 1,8,9-trihydroxyanthracene

>  <Target> (2,134)
Others

>  <Form> (2,134)
free base

>  <URL> (2,134)
http://selleckchem.com/products/dithranol.html

>  <CAS Number> (2,134)
1143-38-0

$$$$
S4833 Cefoxitin sodium.cdx
csChFnd80/01151910432D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,135)
2135

>  <Formula> (2,135)
C16H16N3NaO7S2

>  <MolWeight> (2,135)
449.43391

>  <Item Name> (2,135)
Cefoxitin sodium

>  <Catalog Number> (2,135)
S4833

>  <Synonyms> (2,135)
N/A

>  <Target> (2,135)
Anti-infection

>  <Form> (2,135)
sodium salt

>  <URL> (2,135)
http://selleckchem.com/products/cefoxitin-sodium.html

>  <CAS Number> (2,135)
33564-30-6

$$$$
S4845 Rabeprazole.cdx
csChFnd80/01151910432D

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   10.2024    0.0000    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
 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> (2,136)
2136

>  <Formula> (2,136)
C18H21N3O3S

>  <MolWeight> (2,136)
359.44264

>  <Item Name> (2,136)
Rabeprazole

>  <Catalog Number> (2,136)
S4845

>  <Synonyms> (2,136)
N/A

>  <Target> (2,136)
Proton Pump

>  <Form> (2,136)
free base

>  <URL> (2,136)
http://selleckchem.com/products/rabeprazole.html

>  <CAS Number> (2,136)
117976-89-3

$$$$
S4846 Meropenem Trihydrate.cdx
csChFnd80/01151910432D

 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
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   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
    9.7222   24.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   24.8084    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
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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  4  5  1  0  0  0  0
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 17 12  1  1  0  0  0
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  5 27  1  1  0  0  0
  2 28  1  6  0  0  0
M  END
>  <Mol_ID> (2,137)
2137

>  <Formula> (2,137)
C17H31N3O8S

>  <MolWeight> (2,137)
437.50834

>  <Item Name> (2,137)
Meropenem Trihydrate

>  <Catalog Number> (2,137)
S4846

>  <Synonyms> (2,137)
N/A

>  <Target> (2,137)
Anti-infection

>  <Form> (2,137)
trihydrate 

>  <URL> (2,137)
http://selleckchem.com/products/meropenem-trihydrate.html

>  <CAS Number> (2,137)
119478-56-7

$$$$
S4850 Flucloxacillin sodium.cdx
csChFnd80/01151910432D

 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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    3.2089    4.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069    4.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7324    6.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4259    4.6613    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4246    5.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0080    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3604    6.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8288    2.3191    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
  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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  6  7  1  0  0  0  0
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  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
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 10 15  1  0  0  0  0
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 25 28  2  0  0  0  0
 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> (2,138)
2138

>  <Formula> (2,138)
C19H16ClFN3NaO5S

>  <MolWeight> (2,138)
475.8536132

>  <Item Name> (2,138)
Flucloxacillin sodium

>  <Catalog Number> (2,138)
S4850

>  <Synonyms> (2,138)
floxacillin sodium

>  <Target> (2,138)
Anti-infection

>  <Form> (2,138)
sodium salt 

>  <URL> (2,138)
http://selleckchem.com/products/flucloxacillin-sodium.html

>  <CAS Number> (2,138)
1847-24-1

$$$$
S4853 Ecabet sodium.cdx
csChFnd80/01151910432D

 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
    4.8446    3.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    7.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1216    1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2224    1.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0572    6.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    9.0901    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6670    2.1054    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
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  3 27  1  6  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
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  8 16  1  1  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
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 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,139)
2139

>  <Formula> (2,139)
C20H27NaO5S

>  <MolWeight> (2,139)
402.48015

>  <Item Name> (2,139)
Ecabet sodium

>  <Catalog Number> (2,139)
S4853

>  <Synonyms> (2,139)
TA-2711, TA-2711E

>  <Target> (2,139)
Others

>  <Form> (2,139)
sodium salt 

>  <URL> (2,139)
http://selleckchem.com/products/ecabet-sodium.html

>  <CAS Number> (2,139)
86408-72-2

$$$$
S4992 Nanofin.cdx
csChFnd80/01151910432D

  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
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  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> (2,140)
2140

>  <Formula> (2,140)
C7H15N

>  <MolWeight> (2,140)
113.2007

>  <Item Name> (2,140)
Nanofin

>  <Catalog Number> (2,140)
S4992

>  <Synonyms> (2,140)
2,6-Dimethylpiperidine; Lupetidine; Naniopinum

>  <Target> (2,140)
AChR

>  <URL> (2,140)
http://selleckchem.com/products/nanofin.html

>  <CAS Number> (2,140)
504-03-0

$$$$
S4996 AN-2690.cdx
csChFnd80/01151910432D

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    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
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    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
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Tavaborole (AN-2690)

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S4996

>  <Synonyms> (2,141)
N/A

>  <Target> (2,141)
Anti-infection

>  <Form> (2,141)
free base

>  <URL> (2,141)
http://selleckchem.com/products/tavaborole-an-2690.html

>  <CAS Number> (2,141)
174671-46-6

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/01151910432D

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>  <Formula> (2,142)
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>  <Item Name> (2,142)
Dabrafenib Mesylate

>  <Catalog Number> (2,142)
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>  <Synonyms> (2,142)
GSK2118436 Mesylate

>  <Target> (2,142)
Raf

>  <Form> (2,142)
mesylate

>  <URL> (2,142)
http://selleckchem.com/products/dabrafenib-mesylate.html

>  <CAS Number> (2,142)
1195768-06-9

$$$$
S5071 Duloxetine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,143)
2143

>  <Formula> (2,143)
C18H19NOS

>  <MolWeight> (2,143)
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>  <Item Name> (2,143)
Duloxetine

>  <Catalog Number> (2,143)
S5071

>  <Synonyms> (2,143)
LY-248686

>  <Target> (2,143)
5-HT Receptor

>  <Form> (2,143)
free base

>  <URL> (2,143)
http://selleckchem.com/products/duloxetine.html

>  <CAS Number> (2,143)
116539-59-4

$$$$
S5072 Rosuvastatin.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,144)
2144

>  <Formula> (2,144)
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>  <MolWeight> (2,144)
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>  <Item Name> (2,144)
Rosuvastatin

>  <Catalog Number> (2,144)
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>  <Synonyms> (2,144)
N/A

>  <Target> (2,144)
HMG-CoA Reductase

>  <URL> (2,144)
http://selleckchem.com/products/rosuvastatin.html

>  <CAS Number> (2,144)
287714-41-4

$$$$
S5087 Tianeptine.cdx
csChFnd80/01151910432D

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  7 10  1  0  0  0  0
 11 28  2  0  0  0  0
 11 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,145)
2145

>  <Formula> (2,145)
C21H25ClN2O4S

>  <MolWeight> (2,145)
436.9522

>  <Item Name> (2,145)
Tianeptine

>  <Catalog Number> (2,145)
S5087

>  <Synonyms> (2,145)
S-1574, JNJ-39823277, TPI-1062

>  <Target> (2,145)
Opioid Receptor

>  <Form> (2,145)
free base

>  <URL> (2,145)
http://selleckchem.com/products/tianeptine.html

>  <CAS Number> (2,145)
72797-41-2

$$$$
S5320 Octinoxate.cdx
csChFnd80/01151910432D

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    4.8576    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4218    0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,146)
2146

>  <Formula> (2,146)
C18H26O3

>  <MolWeight> (2,146)
290.39724

>  <Item Name> (2,146)
Octinoxate

>  <Catalog Number> (2,146)
S5320

>  <Synonyms> (2,146)
Octyl methoxycinnamate, ethylhexyl methoxycinnamate

>  <Target> (2,146)
Others

>  <Form> (2,146)
free base

>  <URL> (2,146)
http://selleckchem.com/products/octinoxate.html

>  <CAS Number> (2,146)
5466-77-3 

$$$$
S5322 Sodium gualenate.cdx
csChFnd80/01151910432D

 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
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    1.0542    4.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2509    2.5901    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
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 12 17  1  0  0  0  0
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M  END
>  <Mol_ID> (2,147)
2147

>  <Formula> (2,147)
C15H17NaO3S

>  <MolWeight> (2,147)
300.34845

>  <Item Name> (2,147)
Sodium gualenate

>  <Catalog Number> (2,147)
S5322

>  <Synonyms> (2,147)
Guaiazulenesulfonate sodium

>  <Target> (2,147)
Immunology & Inflammation related

>  <Form> (2,147)
sodium salt

>  <URL> (2,147)
http://selleckchem.com/products/sodium-gualenate.html

>  <CAS Number> (2,147)
6223-35-4

$$$$
S5325 Nitisinone.cdx
csChFnd80/01151910432D

 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
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    0.0000    1.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,148)
2148

>  <Formula> (2,148)
C14H10F3NO5

>  <MolWeight> (2,148)
329.2281096

>  <Item Name> (2,148)
Nitisinone

>  <Catalog Number> (2,148)
S5325

>  <Synonyms> (2,148)
N/A

>  <Target> (2,148)
Others

>  <Form> (2,148)
free base

>  <URL> (2,148)
http://selleckchem.com/products/nitisinone.html

>  <CAS Number> (2,148)
104206-65-7

$$$$
S5341 Metroprolol succinate.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (2,149)
2149

>  <Formula> (2,149)
C34H56N2O10

>  <MolWeight> (2,149)
652.81584

>  <Item Name> (2,149)
Metroprolol succinate

>  <Catalog Number> (2,149)
S5341

>  <Synonyms> (2,149)
Metoprolol succinate

>  <Target> (2,149)
Adrenergic Receptor

>  <Form> (2,149)
succinate

>  <URL> (2,149)
http://selleckchem.com/products/metroprolol-succinate.html

>  <CAS Number> (2,149)
98418-47-4

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/01151910432D

 46 49  0  0  0  0  0  0  0  0999 V2000
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    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
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    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
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   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
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   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> (2,150)
2150

>  <Formula> (2,150)
C33H39N5O7S

>  <MolWeight> (2,150)
649.75706

>  <Item Name> (2,150)
Nintedanib Ethanesulfonate Salt

>  <Catalog Number> (2,150)
S5234

>  <Synonyms> (2,150)
Intedanib, BIBF 1120

>  <Target> (2,150)
VEGFR,FGFR,PDGFR

>  <Form> (2,150)
ethanesulfonate 

>  <URL> (2,150)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

>  <CAS Number> (2,150)
656247-18-6

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/01151910432D

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    8.4041    3.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8290    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   16.8912    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 28  1  0  0  0  0
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 34 35  1  0  0  0  0
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M  END
>  <Mol_ID> (2,151)
2151

>  <Formula> (2,151)
C29H31FN4O7

>  <MolWeight> (2,151)
566.5774432

>  <Item Name> (2,151)
Cediranib Maleate

>  <Catalog Number> (2,151)
S5242

>  <Synonyms> (2,151)
AZD-2171 maleate

>  <Target> (2,151)
VEGFR

>  <Form> (2,151)
maleate

>  <URL> (2,151)
http://selleckchem.com/products/cediranib-maleate.html

>  <CAS Number> (2,151)
 857036-77-2

$$$$
S5248 Apatinib.cdx
csChFnd80/01151910432D

 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
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M  END
>  <Mol_ID> (2,152)
2152

>  <Formula> (2,152)
C24H23N5O

>  <MolWeight> (2,152)
397.47232

>  <Item Name> (2,152)
Apatinib

>  <Catalog Number> (2,152)
S5248

>  <Synonyms> (2,152)
YN968D1

>  <Target> (2,152)
VEGFR,c-RET

>  <Form> (2,152)
free base

>  <URL> (2,152)
http://selleckchem.com/products/apatinib.html

>  <CAS Number> (2,152)
811803-05-1

$$$$
S5256 Benproperine phosphate.cdx
csChFnd80/01151910432D

 28 29  0  0  0  0  0  0  0  0999 V2000
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  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
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 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> (2,153)
2153

>  <Formula> (2,153)
C21H30NO5P

>  <MolWeight> (2,153)
407.440361

>  <Item Name> (2,153)
Benproperine phosphate

>  <Catalog Number> (2,153)
S5256

>  <Synonyms> (2,153)
Blascorid, Pirexyl phosphate

>  <Target> (2,153)
Others

>  <Form> (2,153)
phosphate 

>  <URL> (2,153)
http://selleckchem.com/products/benproperine-phosphate.html

>  <CAS Number> (2,153)
19428-14-9

$$$$
S5266 Stiripentol.cdx
csChFnd80/01151910432D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.1260    2.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6572    0.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0572    3.3517    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
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7  9  2  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  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,154)
2154

>  <Formula> (2,154)
C14H18O3

>  <MolWeight> (2,154)
234.29092

>  <Item Name> (2,154)
Stiripentol

>  <Catalog Number> (2,154)
S5266

>  <Synonyms> (2,154)
BCX2600

>  <Target> (2,154)
Others

>  <URL> (2,154)
http://selleckchem.com/products/stiripentol.html

>  <CAS Number> (2,154)
49763-96-4

$$$$
S5281 Dapiprazole Hydrochloride.cdx
csChFnd80/01151910432D

 25 27  0  0  0  0  0  0  0  0999 V2000
   13.2559    6.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9055    6.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    5.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2667    4.0540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6172    3.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6119    4.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4986    2.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3744    1.7913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6838    2.2867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1002    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4002    1.6045    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
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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  5  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
 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 12  1  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
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,155)
2155

>  <Formula> (2,155)
C19H28ClN5

>  <MolWeight> (2,155)
361.91212

>  <Item Name> (2,155)
Dapiprazole Hydrochloride

>  <Catalog Number> (2,155)
S5281

>  <Synonyms> (2,155)
Glamidolo Hydrochloride, Reversil Hydrochloride

>  <Target> (2,155)
Adrenergic Receptor

>  <Form> (2,155)
hydrochloride

>  <URL> (2,155)
http://selleckchem.com/products/dapiprazole-hydrochloride.html

>  <CAS Number> (2,155)
72822-13-0

$$$$
S5350 Cefpodoxime proxetil.cdx
csChFnd80/01151910432D

 38 40  0  0  0  0  0  0  0  0999 V2000
    9.6757    4.9764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2748    4.9797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2789    6.3797    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6781    6.3764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8857    4.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5841    7.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8857    2.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9384    7.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4737    8.4497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2890    7.3697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9284    7.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917    7.0742    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000    4.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3196    7.6570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5172    0.7612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1166    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0972    2.1748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5239    4.9707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7186    4.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  1  1  0  0  0  0
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 23  2  2  0  0  0  0
  3  2  1  0  0  0  0
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 12  4  1  0  0  0  0
  4 38  1  6  0  0  0
  7  5  1  0  0  0  0
 13  5  2  0  0  0  0
  6  8  1  0  0  0  0
  9  6  1  0  0  0  0
 16  6  2  0  0  0  0
 17  7  1  0  0  0  0
 24  7  2  0  0  0  0
  8 11  1  0  0  0  0
 22  8  2  0  0  0  0
 14  9  2  0  0  0  0
 11 10  1  0  0  0  0
 25 11  2  0  0  0  0
 20 12  1  0  0  0  0
 20 13  1  0  0  0  0
 29 13  1  0  0  0  0
 28 14  1  0  0  0  0
 18 14  1  0  0  0  0
 15 19  1  0  0  0  0
 26 15  2  0  0  0  0
 27 15  1  0  0  0  0
 18 16  1  0  0  0  0
 21 17  1  0  0  0  0
 19 21  1  0  0  0  0
 33 21  1  0  0  0  0
 30 22  1  0  0  0  0
 32 27  1  0  0  0  0
 31 29  1  0  0  0  0
 34 30  1  0  0  0  0
 35 31  1  0  0  0  0
 36 32  1  0  0  0  0
 37 32  1  0  0  0  0
M  END
>  <Mol_ID> (2,156)
2156

>  <Formula> (2,156)
C21H27N5O9S2

>  <MolWeight> (2,156)
557.59718

>  <Item Name> (2,156)
Cefpodoxime proxetil

>  <Catalog Number> (2,156)
S5350

>  <Synonyms> (2,156)
N/A

>  <Target> (2,156)
Anti-infection

>  <Form> (2,156)
free base

>  <URL> (2,156)
http://selleckchem.com/products/cefpodoxime-proxetil.html

>  <CAS Number> (2,156)
87239-81-4

$$$$
S5359 Butoconazole.cdx
csChFnd80/01151910432D

 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
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    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
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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
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  6 10  1  0  0  0  0
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M  END
>  <Mol_ID> (2,157)
2157

>  <Formula> (2,157)
C19H17Cl3N2S

>  <MolWeight> (2,157)
411.77568

>  <Item Name> (2,157)
Butoconazole

>  <Catalog Number> (2,157)
S5359

>  <Synonyms> (2,157)
N/A

>  <Target> (2,157)
Anti-infection

>  <Form> (2,157)
free base

>  <URL> (2,157)
http://selleckchem.com/products/butoconazole.html

>  <CAS Number> (2,157)
64872-76-0

$$$$
S5362 Citicholine.cdx
csChFnd80/01151910432D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,158)
2158

>  <Formula> (2,158)
C14H26N4O11P2

>  <MolWeight> (2,158)
488.323962

>  <Item Name> (2,158)
Citicholine

>  <Catalog Number> (2,158)
S5362

>  <Synonyms> (2,158)
CDP-choline, cytidine 5'-diphosphocholine

>  <Target> (2,158)
Others

>  <Form> (2,158)
inner salt

>  <URL> (2,158)
http://selleckchem.com/products/citicholine.html

>  <CAS Number> (2,158)
987-78-0

$$$$
S5363 Pikamilone.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,159)
2159

>  <Formula> (2,159)
C10H12N2O3

>  <MolWeight> (2,159)
208.21388

>  <Item Name> (2,159)
Pikamilone

>  <Catalog Number> (2,159)
S5363

>  <Synonyms> (2,159)
N/A

>  <Target> (2,159)
Others

>  <Form> (2,159)
free base

>  <URL> (2,159)
http://selleckchem.com/products/pikamilone.html

>  <CAS Number> (2,159)
34562-97-5

$$$$
S5366 Fipronil.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,160)
2160

>  <Formula> (2,160)
C12H4Cl2F6N4OS

>  <MolWeight> (2,160)
437.1477792

>  <Item Name> (2,160)
Fipronil

>  <Catalog Number> (2,160)
S5366

>  <Synonyms> (2,160)
Fluocyanobenpyrazole, Termidor

>  <Target> (2,160)
Anti-infection

>  <Form> (2,160)
free base

>  <URL> (2,160)
http://selleckchem.com/products/fipronil.html

>  <CAS Number> (2,160)
120068-37-3

$$$$
S5368 Lactitol.cdx
csChFnd80/01151910432D

 23 23  0  0  0  0  0  0  0  0999 V2000
    4.8560    3.5102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,161)
2161

>  <Formula> (2,161)
C12H24O11

>  <MolWeight> (2,161)
344.31236

>  <Item Name> (2,161)
Lactitol

>  <Catalog Number> (2,161)
S5368

>  <Synonyms> (2,161)
N/A

>  <Target> (2,161)
Others

>  <Form> (2,161)
free base

>  <URL> (2,161)
http://selleckchem.com/products/lactitol.html

>  <CAS Number> (2,161)
 585-86-4

$$$$
Tegaserod maleate.cdx
csChFnd80/01151910432D

 30 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,162)
2162

>  <Formula> (2,162)
C20H27N5O5

>  <MolWeight> (2,162)
417.45888

>  <Item Name> (2,162)
Tegaserod Maleate

>  <Catalog Number> (2,162)
S5401

>  <Synonyms> (2,162)
N/A

>  <Target> (2,162)
5-HT Receptor

>  <Form> (2,162)
maleate

>  <URL> (2,162)
http://selleckchem.com/products/tegaserod-maleate.html

>  <CAS Number> (2,162)
189188-57-6

$$$$
S5428 Promazine Hydrochloride.cdx
csChFnd80/01151910432D

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    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> (2,163)
2163

>  <Formula> (2,163)
C17H21ClN2S

>  <MolWeight> (2,163)
320.88004

>  <Item Name> (2,163)
Promazine hydrochloride

>  <Catalog Number> (2,163)
S5428

>  <Synonyms> (2,163)
Romtiazin hydrochloride, Sinophenin hydrochloride

>  <Target> (2,163)
Dopamine Receptor,5-HT Receptor

>  <Form> (2,163)
hydrochloride 

>  <URL> (2,163)
http://selleckchem.com/products/promazine-hydrochloride.html

>  <CAS Number> (2,163)
53-60-1

$$$$
S5430 Metoprolol.cdx
csChFnd80/01151910432D

 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> (2,164)
2164

>  <Formula> (2,164)
C15H25NO3

>  <MolWeight> (2,164)
267.3639

>  <Item Name> (2,164)
Metoprolol

>  <Catalog Number> (2,164)
S5430

>  <Synonyms> (2,164)
N/A

>  <Target> (2,164)
Adrenergic Receptor

>  <Form> (2,164)
free base

>  <URL> (2,164)
http://selleckchem.com/products/metoprolol.html

>  <CAS Number> (2,164)
51384-51-1

$$$$
S5433 Sodium succinate dibasic.cdx
csChFnd80/01151910432D

 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> (2,165)
2165

>  <Formula> (2,165)
C4H4Na2O4

>  <MolWeight> (2,165)
162.0517

>  <Item Name> (2,165)
Sodium succinate

>  <Catalog Number> (2,165)
S5433

>  <Synonyms> (2,165)
Sodium 3-carboxypropanoate, Disodium butanedioate

>  <Target> (2,165)
Others

>  <Form> (2,165)
disodium salt

>  <URL> (2,165)
http://selleckchem.com/products/sodium-succinate.html

>  <CAS Number> (2,165)
150-90-3

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/01151910432D

 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
    8.5157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2790    4.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    3.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9852    1.5035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1315    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3547    5.2983    0.0000 Cl  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  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
  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 13  2  0  0  0  0
  8 15  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  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 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,166)
2166

>  <Formula> (2,166)
C20H14ClNO4

>  <MolWeight> (2,166)
367.78246

>  <Item Name> (2,166)
Sanguinarine chloride

>  <Catalog Number> (2,166)
S5452

>  <Synonyms> (2,166)
N/A

>  <Target> (2,166)
phosphatase

>  <Form> (2,166)
chloride 

>  <URL> (2,166)
http://selleckchem.com/products/sanguinarine-chloride.html

>  <CAS Number> (2,166)
5578-73-4

$$$$
S5453 Hyperoside.cdx
csChFnd80/01151910432D

 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
    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
    7.2746    2.1000    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
    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 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
    8.4834    7.0063    0.0000 C   0  0  2  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    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4761    8.4063    0.0000 C   0  0  1  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 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
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9082    7.0189    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6849    9.1126    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2600    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (2,167)
2167

>  <Formula> (2,167)
C21H20O12

>  <MolWeight> (2,167)
464.3763

>  <Item Name> (2,167)
Hyperoside

>  <Catalog Number> (2,167)
S5453

>  <Synonyms> (2,167)
Hyperin, Quercetin 3-galactoside

>  <Target> (2,167)
Others

>  <Form> (2,167)
free base

>  <URL> (2,167)
http://selleckchem.com/products/hyperoside.html

>  <CAS Number> (2,167)
482-36-0

$$$$
S5458 Verbascoside.cdx
csChFnd80/01151910432D

 44 47  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    7.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    6.3081    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9127    5.6077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (2,168)
2168

>  <Formula> (2,168)
C29H36O15

>  <MolWeight> (2,168)
624.58714

>  <Item Name> (2,168)
Verbascoside

>  <Catalog Number> (2,168)
S5458

>  <Synonyms> (2,168)
Acteoside, Kusaginin

>  <Target> (2,168)
Immunology & Inflammation related

>  <Form> (2,168)
free base

>  <URL> (2,168)
http://selleckchem.com/products/verbascoside.html

>  <CAS Number> (2,168)
61276-17-3

$$$$
S5472 Nafronyl oxalate salt.cdx
csChFnd80/01151910432D

 34 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,169)
2169

>  <Formula> (2,169)
C26H35NO7

>  <MolWeight> (2,169)
473.5586

>  <Item Name> (2,169)
Nafronyl oxalate salt

>  <Catalog Number> (2,169)
S5472

>  <Synonyms> (2,169)
N/A

>  <Target> (2,169)
5-HT Receptor

>  <Form> (2,169)
oxalate 

>  <URL> (2,169)
http://selleckchem.com/products/nafronyl-oxalate-salt.html

>  <CAS Number> (2,169)
3200-06-4

$$$$
S5480 Clidinium Bromide.cdx
csChFnd80/01151910432D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,170)
2170

>  <Formula> (2,170)
C22H26BrNO3

>  <MolWeight> (2,170)
432.35074

>  <Item Name> (2,170)
Clidinium Bromide

>  <Catalog Number> (2,170)
S5480

>  <Synonyms> (2,170)
N/A

>  <Target> (2,170)
AChR

>  <Form> (2,170)
bromide 

>  <URL> (2,170)
http://selleckchem.com/products/clidinium-bromide.html

>  <CAS Number> (2,170)
3485-62-9

$$$$
S5485 Desipramine Hydrochloride.cdx
csChFnd80/01151910432D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,171)
2171

>  <Formula> (2,171)
C18H23ClN2

>  <MolWeight> (2,171)
302.84162

>  <Item Name> (2,171)
Desipramine Hydrochloride

>  <Catalog Number> (2,171)
S5485

>  <Synonyms> (2,171)
Desmethylimipramine, Norimipramine, EX-4355, G-35020, JB-8181, NSC-114901

>  <Target> (2,171)
5-HT Receptor

>  <Form> (2,171)
hydrochloride 

>  <URL> (2,171)
http://selleckchem.com/products/desipramine-hydrochloride.html

>  <CAS Number> (2,171)
 58-28-6

$$$$
S5486 Fluorometholone.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,172)
2172

>  <Formula> (2,172)
C22H29FO4

>  <MolWeight> (2,172)
376.4616632

>  <Item Name> (2,172)
Fluorometholone

>  <Catalog Number> (2,172)
S5486

>  <Synonyms> (2,172)
Oxylone

>  <Target> (2,172)
Glucocorticoid Receptor

>  <Form> (2,172)
free base

>  <URL> (2,172)
http://selleckchem.com/products/fluorometholone.html

>  <CAS Number> (2,172)
426-13-1

$$$$
S5496 Guanethidine Monosulfate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,173)
2173

>  <Formula> (2,173)
C10H24N4O4S

>  <MolWeight> (2,173)
296.38696

>  <Item Name> (2,173)
Guanethidine Monosulfate

>  <Catalog Number> (2,173)
S5496

>  <Synonyms> (2,173)
N/A

>  <Target> (2,173)
Others

>  <Form> (2,173)
sulfate 

>  <URL> (2,173)
http://selleckchem.com/products/guanethidine-monosulfate.html

>  <CAS Number> (2,173)
645-43-2

$$$$
S5506 Vortioxetine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,174)
2174

>  <Formula> (2,174)
C18H22N2S

>  <MolWeight> (2,174)
298.44568

>  <Item Name> (2,174)
Vortioxetine

>  <Catalog Number> (2,174)
S5506

>  <Synonyms> (2,174)
N/A

>  <Target> (2,174)
5-HT Receptor

>  <Form> (2,174)
free base

>  <URL> (2,174)
http://selleckchem.com/products/vortioxetine.html

>  <CAS Number> (2,174)
508233-74-7

$$$$
S5527 Salmeterol.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,175)
2175

>  <Formula> (2,175)
C25H37NO4

>  <MolWeight> (2,175)
415.56558

>  <Item Name> (2,175)
Salmeterol

>  <Catalog Number> (2,175)
S5527

>  <Synonyms> (2,175)
Astmerole, GR-33343X, SN408D

>  <Target> (2,175)
Adrenergic Receptor

>  <Form> (2,175)
free base

>  <URL> (2,175)
http://selleckchem.com/products/salmeterol.html

>  <CAS Number> (2,175)
89365-50-4

$$$$
S5534 Cinchocaine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,176)
2176

>  <Formula> (2,176)
C20H29N3O2

>  <MolWeight> (2,176)
343.46316

>  <Item Name> (2,176)
Cinchocaine

>  <Catalog Number> (2,176)
S5534

>  <Synonyms> (2,176)
Dibucaine

>  <Target> (2,176)
Others

>  <Form> (2,176)
free base

>  <URL> (2,176)
http://selleckchem.com/products/cinchocaine.html

>  <CAS Number> (2,176)
85-79-0

$$$$
S5538 Tropisetron.cdx
csChFnd80/01151910432D

 21 24  0  0  0  0  0  0  0  0999 V2000
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    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> (2,177)
2177

>  <Formula> (2,177)
C17H20N2O2

>  <MolWeight> (2,177)
284.3529

>  <Item Name> (2,177)
Tropisetron

>  <Catalog Number> (2,177)
S5538

>  <Synonyms> (2,177)
ICS 205-930

>  <Target> (2,177)
5-HT Receptor,AChR

>  <Form> (2,177)
free base

>  <URL> (2,177)
http://selleckchem.com/products/tropisetron.html

>  <CAS Number> (2,177)
89565-68-4

$$$$
S5541 Dimetridazole.cdx
csChFnd80/01151910432D

 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> (2,178)
2178

>  <Formula> (2,178)
C5H7N3O2

>  <MolWeight> (2,178)
141.12798

>  <Item Name> (2,178)
Dimetridazole

>  <Catalog Number> (2,178)
S5541

>  <Synonyms> (2,178)
N/A

>  <Target> (2,178)
Anti-infection

>  <Form> (2,178)
free base

>  <URL> (2,178)
http://selleckchem.com/products/dimetridazole.html

>  <CAS Number> (2,178)
551-92-8

$$$$
S5544 D-Ribose.cdx
csChFnd80/01151910432D

 11 10  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  1  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
    3.6373    3.5000    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 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 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
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    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  6  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,179)
2179

>  <Formula> (2,179)
C5H10O5

>  <MolWeight> (2,179)
150.1299

>  <Item Name> (2,179)
D-Ribose

>  <Catalog Number> (2,179)
S5544

>  <Synonyms> (2,179)
N/A

>  <Target> (2,179)
Others

>  <Form> (2,179)
free base

>  <URL> (2,179)
http://selleckchem.com/products/d-ribose.html

>  <CAS Number> (2,179)
 50-69-1

$$$$
S5552 Amenamevir.cdx
csChFnd80/01151910432D

 34 37  0  0  0  0  0  0  0  0999 V2000
   12.0204    0.7539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3892    0.4607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0912    1.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1558    2.7139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8787    2.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6663    2.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2442    2.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4554    2.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6713    4.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4601    4.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2491    4.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0367    4.9640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8258    4.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6126    4.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9026    4.3432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9126    5.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    7.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2832    7.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6518    9.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    9.3866    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9928    8.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8258    2.8657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5604    4.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2801    2.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9009    2.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4254    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3273    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7055    0.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1820    1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1548   10.1870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183   10.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5603    1.8077    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
  1  5  2  0  0  0  0
  5  6  1  0  0  0  0
  8  6  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  7 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
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  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
 18 22  1  0  0  0  0
 13 23  2  0  0  0  0
 16 24  2  0  0  0  0
 15 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 30  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
 26 31  1  0  0  0  0
 21 32  2  0  0  0  0
 21 33  2  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (2,180)
2180

>  <Formula> (2,180)
C24H26N4O5S

>  <MolWeight> (2,180)
482.55204

>  <Item Name> (2,180)
Amenamevir

>  <Catalog Number> (2,180)
S5552

>  <Synonyms> (2,180)
ASP2151

>  <Form> (2,180)
free base

>  <URL> (2,180)
http://selleckchem.com/products/amenamevir.html

>  <CAS Number> (2,180)
841301-32-4

$$$$
S5553 Kasugamycin hydrochloride.cdx
csChFnd80/01151910432D

 27 27  0  0  0  0  0  0  0  0999 V2000
    9.6927    2.4320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4808    1.7323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    1.7279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6927    3.8349    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2689    2.4320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1356    2.4343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9121    0.3279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    4.5390    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4847    4.5324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    1.7355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2689    3.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1356    3.8310    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3447    1.7362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    5.9325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    2.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    0.3388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0560    4.5416    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3384    4.5255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    3.8514    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0560    5.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.5491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    3.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    2.4475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7661    0.0000    0.0000 Cl  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
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  1  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  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  6  0  0  0
  8 14  1  1  0  0  0
  8 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  1  0  0  0
 11 17  1  0  0  0  0
 12 18  1  6  0  0  0
 15 19  1  0  0  0  0
 17 20  1  1  0  0  0
 17 19  1  0  0  0  0
 19 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  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,181)
2181

>  <Formula> (2,181)
C14H26ClN3O9

>  <MolWeight> (2,181)
415.82394

>  <Item Name> (2,181)
Kasugamycin hydrochloride

>  <Catalog Number> (2,181)
S5553

>  <Synonyms> (2,181)
N/A

>  <Target> (2,181)
Anti-infection

>  <Form> (2,181)
hydrochloride 

>  <URL> (2,181)
http://selleckchem.com/products/kasugamycin-hydrochloride.html

>  <CAS Number> (2,181)
19408-46-9

$$$$
S5554 Lanatoside C.cdx
csChFnd80/01151910432D

 72 80  0  0  0  0  0  0  0  0999 V2000
   27.7632   15.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.7632   16.8217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.5586   14.7207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0955   14.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9166   14.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0955   17.2577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   17.5267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.9166   18.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3415   15.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   13.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9155   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5309   18.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3288   16.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5717   18.9228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   14.7207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.3415   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7109   19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8633   19.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.9075   15.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5696   20.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8763   20.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9075   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6904   14.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0035   21.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6904   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4859   12.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2690   11.9148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.2690   10.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0519   12.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0519    9.8138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8474   11.9148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8474   10.5056    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0519    8.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6303   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6303    9.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4133    9.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (2,182)
2182

>  <Formula> (2,182)
C49H76O20

>  <MolWeight> (2,182)
985.11574

>  <Item Name> (2,182)
Lanatoside C

>  <Catalog Number> (2,182)
S5554

>  <Synonyms> (2,182)
N/A

>  <Target> (2,182)
ATPase

>  <Form> (2,182)
free base

>  <URL> (2,182)
http://selleckchem.com/products/lanatoside-c.html

>  <CAS Number> (2,182)
17575-22-3

$$$$
S5555 Pamabrom.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,183)
2183

>  <Formula> (2,183)
C11H18BrN5O3

>  <MolWeight> (2,183)
348.19632

>  <Item Name> (2,183)
Pamabrom

>  <Catalog Number> (2,183)
S5555

>  <Synonyms> (2,183)
N/A

>  <Target> (2,183)
Others

>  <Form> (2,183)
salt

>  <URL> (2,183)
http://selleckchem.com/products/pamabrom.html

>  <CAS Number> (2,183)
606-04-2

$$$$
S5556 (-)-Sparteini Sulfas.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,184)
2184

>  <Formula> (2,184)
C15H38N2O9S

>  <MolWeight> (2,184)
422.53522

>  <Item Name> (2,184)
(-)-Sparteine Sulfate

>  <Catalog Number> (2,184)
S5556

>  <Synonyms> (2,184)
N/A

>  <Target> (2,184)
Sodium Channel

>  <Form> (2,184)
sulfate pentahydrate

>  <URL> (2,184)
http://selleckchem.com/products/sparteini-sulfas.html

>  <CAS Number> (2,184)
6160-12-9

$$$$
S5557 Aklomide.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,185)
2185

>  <Formula> (2,185)
C7H5ClN2O3

>  <MolWeight> (2,185)
200.5792

>  <Item Name> (2,185)
Aklomide

>  <Catalog Number> (2,185)
S5557

>  <Synonyms> (2,185)
2-Chloro-4-nitrobenzamide

>  <Target> (2,185)
Anti-infection

>  <Form> (2,185)
free base

>  <URL> (2,185)
http://selleckchem.com/products/aklomide.html

>  <CAS Number> (2,185)
3011-89-0

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
csChFnd80/01151910432D

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2186

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C24H35ClO9

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Dapagliflozin propanediol monohydrate

>  <Catalog Number> (2,186)
S5566

>  <Synonyms> (2,186)
N/A

>  <Target> (2,186)
SGLT

>  <Form> (2,186)
monohydrate

>  <URL> (2,186)
http://selleckchem.com/products/dapagliflozin-propanediol-monohydrate.html

>  <CAS Number> (2,186)
960404-48-2

$$$$
S5567 Trimethadione.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,187)
2187

>  <Formula> (2,187)
C6H9NO3

>  <MolWeight> (2,187)
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>  <Item Name> (2,187)
Trimethadione

>  <Catalog Number> (2,187)
S5567

>  <Synonyms> (2,187)
N/A

>  <Target> (2,187)
Others

>  <URL> (2,187)
http://selleckchem.com/products/trimethadione.html

>  <CAS Number> (2,187)
127-48-0

$$$$
S5573 Tilmicosin phosphate.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,188)
2188

>  <Formula> (2,188)
C46H83N2O17P

>  <MolWeight> (2,188)
967.128181

>  <Item Name> (2,188)
Tilmicosin phosphate

>  <Catalog Number> (2,188)
S5573

>  <Synonyms> (2,188)
N/A

>  <Target> (2,188)
Anti-infection

>  <Form> (2,188)
phosphate 

>  <URL> (2,188)
http://selleckchem.com/products/tilmicosin-phosphate.html

>  <CAS Number> (2,188)
137330-13-3

$$$$
S5582 Cytarabine hydrochloride.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,189)
2189

>  <Formula> (2,189)
C9H14ClN3O5

>  <MolWeight> (2,189)
279.67756

>  <Item Name> (2,189)
Cytarabine hydrochloride

>  <Catalog Number> (2,189)
S5582

>  <Synonyms> (2,189)
N/A

>  <Target> (2,189)
DNA/RNA Synthesis

>  <Form> (2,189)
hydrochloride 

>  <URL> (2,189)
http://selleckchem.com/products/cytarabine-hydrochloride.html

>  <CAS Number> (2,189)
69-74-9

$$$$
S3935 Nonivamide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,190)
2190

>  <Formula> (2,190)
C17H27NO3

>  <MolWeight> (2,190)
293.40118

>  <Item Name> (2,190)
Nonivamide

>  <Catalog Number> (2,190)
S3935

>  <Synonyms> (2,190)
?Pseudocapsaicin; Pelargonic acid vanillylamide; Nonanoic acid vanillylamide

>  <Target> (2,190)
TRP Channel

>  <Form> (2,190)
free base

>  <URL> (2,190)
http://selleckchem.com/products/.html

>  <CAS Number> (2,190)
2444-46-4

$$$$
S3937 Pterostilbene.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,191)
2191

>  <Formula> (2,191)
C16H16O3

>  <MolWeight> (2,191)
256.29644

>  <Item Name> (2,191)
Pterostilbene

>  <Catalog Number> (2,191)
S3937

>  <Synonyms> (2,191)
N/A

>  <Target> (2,191)
autophagy

>  <Form> (2,191)
free base

>  <URL> (2,191)
http://selleckchem.com/products/.html

>  <CAS Number> (2,191)
537-42-8

$$$$
S3966 Nifuratel.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,192)
2192

>  <Formula> (2,192)
C10H11N3O5S

>  <MolWeight> (2,192)
285.27644

>  <Item Name> (2,192)
Nifuratel

>  <Catalog Number> (2,192)
S3966

>  <Synonyms> (2,192)
N/A

>  <Target> (2,192)
Antibacterial

>  <Form> (2,192)
free base

>  <URL> (2,192)
http://selleckchem.com/products/.html

>  <CAS Number> (2,192)
4936-47-4

$$$$
S4998 2-Aminobenzenesulfonamide.cdx
csChFnd80/01151910432D

 11 11  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,193)
2193

>  <Formula> (2,193)
C6H8N2O2S

>  <MolWeight> (2,193)
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>  <Item Name> (2,193)
2-Aminobenzenesulfonamide

>  <Catalog Number> (2,193)
S4998

>  <Synonyms> (2,193)
Orthanilamide

>  <Target> (2,193)
DHPS

>  <URL> (2,193)
http://selleckchem.com/products/.html

>  <CAS Number> (2,193)
3306-62-5

$$$$
S5102 Stachyose.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,194)
2194

>  <Formula> (2,194)
C24H50O25

>  <MolWeight> (2,194)
738.6388

>  <Item Name> (2,194)
Stachyose

>  <Catalog Number> (2,194)
S5102

>  <Synonyms> (2,194)
N/A

>  <Target> (2,194)
others

>  <Form> (2,194)
free base

>  <URL> (2,194)
http://selleckchem.com/products/.html

>  <CAS Number> (2,194)
10094-58-3

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/01151910432D

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AMN-107 HCl

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Bcr-Abl

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hydrochloride 

>  <URL> (2,195)
http://selleckchem.com/products/nilotinib-hydrochloride.html

>  <CAS Number> (2,195)
923288-95-3

$$$$
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csChFnd80/01151910432D

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N/A

>  <Target> (2,196)
5-HT Receptor

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>  <URL> (2,196)
http://selleckchem.com/products/paroxetine-mesylate.html

>  <CAS Number> (2,196)
217797-14-3

$$$$
S5240 lenvatinib Mesylate.cdx
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>  <Synonyms> (2,197)
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VEGFR

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>  <URL> (2,197)
http://selleckchem.com/products/lenvatinib-mesylate.html

>  <CAS Number> (2,197)
 857890-39-2

$$$$
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M  END
>  <Mol_ID> (2,198)
2198

>  <Formula> (2,198)
C43H63NO11

>  <MolWeight> (2,198)
769.96042

>  <Item Name> (2,198)
Selamectin

>  <Catalog Number> (2,198)
S5247

>  <Synonyms> (2,198)
N/A

>  <Target> (2,198)
others

>  <Form> (2,198)
free base

>  <URL> (2,198)
http://selleckchem.com/products/.html

>  <CAS Number> (2,198)
 220119-17-5

$$$$
S5267 Nylidrin Hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,199)
2199

>  <Formula> (2,199)
C19H26ClNO2

>  <MolWeight> (2,199)
335.86824

>  <Item Name> (2,199)
Nylidrin Hydrochloride

>  <Catalog Number> (2,199)
S5267

>  <Synonyms> (2,199)
Buphenine hydrochloride

>  <Target> (2,199)
¦Â-adrenergic receptor

>  <Form> (2,199)
hydrochloride 

>  <URL> (2,199)
http://selleckchem.com/products/.html

>  <CAS Number> (2,199)
849-55-8

$$$$
S5326 Dolasetron.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,200)
2200

>  <Formula> (2,200)
C19H20N2O3

>  <MolWeight> (2,200)
324.3737

>  <Item Name> (2,200)
Dolasetron

>  <Catalog Number> (2,200)
S5326

>  <Synonyms> (2,200)
MDL-73147

>  <Target> (2,200)
5-HT3

>  <Form> (2,200)
free base

>  <URL> (2,200)
http://selleckchem.com/products/.html

>  <CAS Number> (2,200)
115956-12-2

$$$$
S5351 Cefmetazole sodium.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,201)
2201

>  <Formula> (2,201)
C15H16N7NaO5S3

>  <MolWeight> (2,201)
493.51621

>  <Item Name> (2,201)
Cefmetazole sodium

>  <Catalog Number> (2,201)
S5351

>  <Synonyms> (2,201)
Sodium cefmetazole

>  <Target> (2,201)
others

>  <Form> (2,201)
sodium salt

>  <URL> (2,201)
http://selleckchem.com/products/.html

>  <CAS Number> (2,201)
56796-39-5

$$$$
S5352 Cefminox Sodium.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,202)
2202

>  <Formula> (2,202)
C16H20N7NaO7S3

>  <MolWeight> (2,202)
541.55747

>  <Item Name> (2,202)
Cefminox Sodium

>  <Catalog Number> (2,202)
S5352

>  <Synonyms> (2,202)
Meicelin, MT-141

>  <Target> (2,202)
Anti-infection

>  <Form> (2,202)
sodium salt

>  <URL> (2,202)
http://selleckchem.com/products/cefminox-sodium.html

>  <CAS Number> (2,202)
75498-96-3 

$$$$
S5356 Ceftiofur.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,203)
2203

>  <Formula> (2,203)
C19H17N5O7S3

>  <MolWeight> (2,203)
523.56258

>  <Item Name> (2,203)
Ceftiofur

>  <Catalog Number> (2,203)
S5356

>  <Synonyms> (2,203)
N/A

>  <Target> (2,203)
Anti-infection

>  <Form> (2,203)
free base

>  <URL> (2,203)
http://selleckchem.com/products/ceftiofur.html

>  <CAS Number> (2,203)
80370-57-6 

$$$$
S5357 Safinamide.cdx
csChFnd80/01151910432D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,204)
2204

>  <Formula> (2,204)
C17H19FN2O2

>  <MolWeight> (2,204)
302.3433632

>  <Item Name> (2,204)
Safinamide

>  <Catalog Number> (2,204)
S5357

>  <Synonyms> (2,204)
EMD-1195686, PNU-15774E

>  <Target> (2,204)
MAO

>  <Form> (2,204)
free base

>  <URL> (2,204)
http://selleckchem.com/products/safinamide.html

>  <CAS Number> (2,204)
133865-89-1

$$$$
S5358 Regadenoson.cdx
csChFnd80/01151910432D

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 14  6  1  0  0  0  0
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M  END
>  <Mol_ID> (2,205)
2205

>  <Formula> (2,205)
C15H18N8O5

>  <MolWeight> (2,205)
390.35402

>  <Item Name> (2,205)
Regadenoson

>  <Catalog Number> (2,205)
S5358

>  <Synonyms> (2,205)
CVT-3146, Lexiscan

>  <Target> (2,205)
Adenosine Receptor

>  <Form> (2,205)
free base

>  <URL> (2,205)
http://selleckchem.com/products/regadenoson.html

>  <CAS Number> (2,205)
313348-27-5  

$$$$
S5360 Diflorasone.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,206)
2206

>  <Formula> (2,206)
C22H28F2O5

>  <MolWeight> (2,206)
410.4515264

>  <Item Name> (2,206)
Diflorasone

>  <Catalog Number> (2,206)
S5360

>  <Synonyms> (2,206)
N/A

>  <Target> (2,206)
Glucocorticoid receptor

>  <Form> (2,206)
free base

>  <URL> (2,206)
http://selleckchem.com/products/.html

>  <CAS Number> (2,206)
2557-49-5

$$$$
S5361 Bendazac.cdx
csChFnd80/01151910432D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,207)
2207

>  <Formula> (2,207)
C16H14N2O3

>  <MolWeight> (2,207)
282.29396

>  <Item Name> (2,207)
Bendazac

>  <Catalog Number> (2,207)
S5361

>  <Synonyms> (2,207)
bendazolic acid, AF-983

>  <Target> (2,207)
Immunology & Inflammation related

>  <Form> (2,207)
free base

>  <URL> (2,207)
http://selleckchem.com/products/bendazac.html

>  <CAS Number> (2,207)
20187-55-7

$$$$
S5369 Ethoxyquin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,208)
2208

>  <Formula> (2,208)
C14H19NO

>  <MolWeight> (2,208)
217.30676

>  <Item Name> (2,208)
Ethoxyquin

>  <Catalog Number> (2,208)
S5369

>  <Form> (2,208)
free base

>  <CAS Number> (2,208)
91-53-2

$$$$
S5388 Betrixaban.cdx
csChFnd80/01151910432D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,209)
2209

>  <Formula> (2,209)
C23H22ClN5O3

>  <MolWeight> (2,209)
451.90548

>  <Item Name> (2,209)
Betrixaban

>  <Catalog Number> (2,209)
S5388

>  <Synonyms> (2,209)
PRT054021

>  <Target> (2,209)
factor Xa(fXa)

>  <Form> (2,209)
free base

>  <URL> (2,209)
http://selleckchem.com/products/.html

>  <CAS Number> (2,209)
330942-05-7

$$$$
S5393 Cyclofenil.cdx
csChFnd80/01151910432D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,210)
2210

>  <Formula> (2,210)
C23H24O4

>  <MolWeight> (2,210)
364.43426

>  <Item Name> (2,210)
Cyclofenil

>  <Catalog Number> (2,210)
S5393

>  <Synonyms> (2,210)
F-6066; H-3452

>  <Target> (2,210)
estrogen receptor

>  <Form> (2,210)
free base

>  <URL> (2,210)
http://selleckchem.com/products/.html

>  <CAS Number> (2,210)
2624-43-3

$$$$
S5405 Propylparaben.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,211)
2211

>  <Formula> (2,211)
C10H12O3

>  <MolWeight> (2,211)
180.20048

>  <Item Name> (2,211)
Propylparaben

>  <Catalog Number> (2,211)
S5405

>  <Synonyms> (2,211)
4-Hydroxybenzoes?urepropylester

>  <Target> (2,211)
others

>  <URL> (2,211)
http://selleckchem.com/products/.html

>  <CAS Number> (2,211)
94-13-3

$$$$
S5411 Sultamicillin.cdx
csChFnd80/01151910432D

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>  <CAS Number> (2,212)
76497-13-7

$$$$
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N/A

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Immunology

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sodium salt 

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

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80382-23-6

$$$$
S5413 Ertugliflozin.cdx
csChFnd80/01151910432D

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>  <Item Name> (2,214)
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>  <Target> (2,214)
SGLT2

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free base

>  <URL> (2,214)
http://selleckchem.com/products/.html

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1210344-57-2

$$$$
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1923833-60-6

$$$$
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   12.7186    4.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7434    3.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0099    4.8429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1995    2.9090    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 35  1  1  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  0  0  0  0
  3 36  1  6  0  0  0
  4 10  1  0  0  0  0
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  5 12  1  0  0  0  0
  5 13  1  1  0  0  0
  6 14  1  0  0  0  0
  6 15  1  1  0  0  0
  8 16  1  0  0  0  0
  8 17  1  1  0  0  0
  8 14  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  6  0  0  0
 10 11  1  0  0  0  0
 11 20  2  0  0  0  0
 12 21  2  0  0  0  0
 16 22  1  1  0  0  0
 16 18  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
 22 26  2  0  0  0  0
 24 27  2  0  0  0  0
 25 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
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (2,216)
2216

>  <Formula> (2,216)
C27H36F2O5

>  <MolWeight> (2,216)
478.5685464

>  <Item Name> (2,216)
Diflucortolone valerate

>  <Catalog Number> (2,216)
S5414

>  <Target> (2,216)
Others

>  <Form> (2,216)
free base

>  <URL> (2,216)
http://selleckchem.com/products/diflucortolone-valerate.html

>  <CAS Number> (2,216)
59198-70-8

$$$$
>  <Mol_ID> (2,217)
2217

>  <Item Name> (2,217)
Enoxaparin sodium

>  <Catalog Number> (2,217)
S5415

>  <Form> (2,217)
free base

>  <CAS Number> (2,217)
679809-58-6

$$$$
S5466 Saikosaponin A.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,218)
2218

>  <Formula> (2,218)
C42H68O13

>  <MolWeight> (2,218)
780.98152

>  <Item Name> (2,218)
Saikosaponin A

>  <Catalog Number> (2,218)
S5466

>  <Synonyms> (2,218)
N/A

>  <Target> (2,218)
NF-¦ÊB

>  <Form> (2,218)
free base

>  <URL> (2,218)
http://selleckchem.com/products/.html

>  <CAS Number> (2,218)
20736-09-8

$$$$
S5482 Prilocaine hydrochloride.cdx
csChFnd80/01151910432D

 17 16  0  0  0  0  0  0  0  0999 V2000
    7.2773    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4862    2.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2545    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1240    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
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (2,219)
2219

>  <Formula> (2,219)
C13H21ClN2O

>  <MolWeight> (2,219)
256.77164

>  <Item Name> (2,219)
Prilocaine hydrochloride

>  <Catalog Number> (2,219)
S5482

>  <Synonyms> (2,219)
N/A

>  <Target> (2,219)
Sodium channel

>  <Form> (2,219)
hydrochloride 

>  <URL> (2,219)
http://selleckchem.com/products/.html

>  <CAS Number> (2,219)
1786-81-8

$$$$
S5493 Atropine sulfate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,220)
2220

>  <Formula> (2,220)
C34H48N2O10S

>  <MolWeight> (2,220)
676.81732

>  <Item Name> (2,220)
Atropine sulfate

>  <Catalog Number> (2,220)
S5493

>  <Synonyms> (2,220)
Sulfatropinol

>  <Target> (2,220)
Muscarinic AChR

>  <Form> (2,220)
sulfate 

>  <URL> (2,220)
http://selleckchem.com/products/.html

>  <CAS Number> (2,220)
 55-48-1

$$$$
S5647 Emedastine Difumarate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,221)
2221

>  <Formula> (2,221)
C25H34N4O9

>  <MolWeight> (2,221)
534.55886

>  <Item Name> (2,221)
Emedastine Difumarate

>  <Catalog Number> (2,221)
S5647

>  <Synonyms> (2,221)
Rapimine, Emedastine fumarate

>  <Target> (2,221)
Histamine Receptor

>  <URL> (2,221)
http://selleckchem.com/products/emedastine-difumarate.html

>  <CAS Number> (2,221)
87233-62-3

$$$$
S5648 Iguratimod.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,222)
2222

>  <Formula> (2,222)
C17H14N2O6S

>  <MolWeight> (2,222)
374.36786

>  <Item Name> (2,222)
 Iguratimod

>  <Catalog Number> (2,222)
S5648

>  <Synonyms> (2,222)
T-614

>  <Target> (2,222)
Immunology & Inflammation related

>  <Form> (2,222)
free base

>  <URL> (2,222)
http://selleckchem.com/products/iguratimod.html

>  <CAS Number> (2,222)
123663-49-0

$$$$
S5651 Dexrazoxane.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,223)
2223

>  <Formula> (2,223)
C11H16N4O4

>  <MolWeight> (2,223)
268.26914

>  <Item Name> (2,223)
Dexrazoxane

>  <Catalog Number> (2,223)
S5651

>  <Synonyms> (2,223)
ICRF-187

>  <Target> (2,223)
Others

>  <Form> (2,223)
free base

>  <URL> (2,223)
http://selleckchem.com/products/dexrazoxane.html

>  <CAS Number> (2,223)
24584-09-6

$$$$
S5712 Zofenopril calcium.cdx
csChFnd80/01151910432D

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 24  3  2  0  0  0  0
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M  END
>  <Mol_ID> (2,224)
2224

>  <Formula> (2,224)
C44H44CaN2O8S4

>  <MolWeight> (2,224)
897.16676

>  <Item Name> (2,224)
Zofenopril calcium

>  <Catalog Number> (2,224)
S5712

>  <Form> (2,224)
calcium salt

>  <CAS Number> (2,224)
81938-43-4 

$$$$
S4653 L-Ornithine hydrochloride.cdx
csChFnd80/01151910432D

 10  8  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.2047    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,225)
2225

>  <Formula> (2,225)
C5H13ClN2O2

>  <MolWeight> (2,225)
168.62192

>  <Item Name> (2,225)
L-Ornithine hydrochloride

>  <Catalog Number> (2,225)
S4653

>  <Form> (2,225)
hydrochloride 

>  <CAS Number> (2,225)
3184-13-2

$$$$
S5494 Salbutamol.cdx
csChFnd80/01151910432D

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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (2,226)
2226

>  <Formula> (2,226)
C13H21NO3

>  <MolWeight> (2,226)
239.31074

>  <Item Name> (2,226)
Salbutamol

>  <Catalog Number> (2,226)
S5494

>  <Synonyms> (2,226)
Albuterol; AH-3365

>  <Target> (2,226)
¦Â-adrenergic receptor

>  <Form> (2,226)
free base

>  <URL> (2,226)
http://selleckchem.com/products/.html

>  <CAS Number> (2,226)
18559-94-9

$$$$
S5500 Amodiaquine hydrochloride.cdx
csChFnd80/01151910432D

 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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 21  9  1  0  0  0  0
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M  END
>  <Mol_ID> (2,227)
2227

>  <Formula> (2,227)
C20H24Cl3N3O

>  <MolWeight> (2,227)
428.78306

>  <Item Name> (2,227)
Amodiaquine hydrochloride

>  <Catalog Number> (2,227)
S5500

>  <Synonyms> (2,227)
N/A

>  <Target> (2,227)
HnMT

>  <Form> (2,227)
dihydrochloride 

>  <URL> (2,227)
http://selleckchem.com/products/.html

>  <CAS Number> (2,227)
69-44-3

$$$$
S5501 Hydrocortisone acetate.cdx
csChFnd80/01151910432D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.3139    4.1415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3139    2.7574    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6501    4.5460    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1057    4.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0897    2.0813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.4913    3.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4330    9.3401    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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  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  5  9  1  0  0  0  0
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  6  7  1  0  0  0  0
  8 11  1  1  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
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 10 13  1  0  0  0  0
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 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,228)
2228

>  <Formula> (2,228)
C23H32O6

>  <MolWeight> (2,228)
404.49658

>  <Item Name> (2,228)
Hydrocortisone acetate

>  <Catalog Number> (2,228)
S5501

>  <Synonyms> (2,228)
Hydrocortisone 21-acetate

>  <Target> (2,228)
Glucocorticoid receptor

>  <Form> (2,228)
free base

>  <URL> (2,228)
http://selleckchem.com/products/.html

>  <CAS Number> (2,228)
50-03-3

$$$$
S5537 Tizanidine.cdx
csChFnd80/01151910432D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,229)
2229

>  <Formula> (2,229)
C9H8ClN5S

>  <MolWeight> (2,229)
253.71132

>  <Item Name> (2,229)
Tizanidine

>  <Catalog Number> (2,229)
S5537

>  <CAS Number> (2,229)
51322-75-9

$$$$
S5540 Landiolol hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,230)
2230

>  <Formula> (2,230)
C25H40ClN3O8

>  <MolWeight> (2,230)
546.0534

>  <Item Name> (2,230)
Landiolol hydrochloride

>  <Catalog Number> (2,230)
S5540

>  <Synonyms> (2,230)
N/A

>  <Target> (2,230)
others

>  <Form> (2,230)
hydrochloride 

>  <URL> (2,230)
http://selleckchem.com/products/.html

>  <CAS Number> (2,230)
144481-98-1

$$$$
S5560 Midecamycin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,231)
2231

>  <Formula> (2,231)
C41H67NO15

>  <MolWeight> (2,231)
813.96838

>  <Item Name> (2,231)
Midecamycin

>  <Catalog Number> (2,231)
S5560

>  <Form> (2,231)
free base

>  <CAS Number> (2,231)
35457-80-8

$$$$
S5620 NSI-189.cdx
csChFnd80/01151910432D

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M  END
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2232

>  <Formula> (2,232)
C22H30N4O

>  <MolWeight> (2,232)
366.4998

>  <Item Name> (2,232)
NSI-189

>  <Catalog Number> (2,232)
S5620

>  <Form> (2,232)
free base

>  <CAS Number> (2,232)
1270138-40-3

$$$$
S5621 Cilastatin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,233)
2233

>  <Formula> (2,233)
C16H26N2O5S

>  <MolWeight> (2,233)
358.45304

>  <Item Name> (2,233)
Cilastatin

>  <Catalog Number> (2,233)
S5621

>  <Form> (2,233)
free base

>  <CAS Number> (2,233)
82009-34-5

$$$$
S5623 Bedaquiline.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,234)
2234

>  <Formula> (2,234)
C32H31BrN2O2

>  <MolWeight> (2,234)
555.50474

>  <Item Name> (2,234)
Bedaquiline

>  <Catalog Number> (2,234)
S5623

>  <Synonyms> (2,234)
TMC207; R207910

>  <Target> (2,234)
tuberculosis

>  <Form> (2,234)
free base

>  <URL> (2,234)
http://selleckchem.com/products/.html

>  <CAS Number> (2,234)
843663-66-1

$$$$
S5626 Benzalkonium chloride.cdx
csChFnd80/01151910432D

 18 16  0  0  0  0  0  0  0  0999 V2000
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2-7
M  END
>  <Mol_ID> (2,235)
2235

>  <Formula> (2,235)
C15H26ClNR

>  <MolWeight> (2,235)
255.82664

>  <Item Name> (2,235)
Benzalkonium chloride

>  <Catalog Number> (2,235)
S5626

>  <Synonyms> (2,235)
N/A

>  <Target> (2,235)
Immunology & Inflammation related

>  <Form> (2,235)
free base

>  <URL> (2,235)
http://selleckchem.com/products/.html

>  <CAS Number> (2,235)
63449-41-2

$$$$
S5353 Cefpiramide sodium.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,236)
2236

>  <Formula> (2,236)
C25H23N8NaO7S2

>  <MolWeight> (2,236)
634.61929

>  <Item Name> (2,236)
Cefpiramide sodium

>  <Catalog Number> (2,236)
S5353

>  <CAS Number> (2,236)
74849-93-7 

$$$$
S4698 Vitamin K1.cdx
csChFnd80/01151910432D

 33 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,237)
2237

>  <Formula> (2,237)
C31H46O2

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450.69574

>  <Item Name> (2,237)
Vitamin K1

>  <Catalog Number> (2,237)
S4698

>  <Synonyms> (2,237)
N/A

>  <Target> (2,237)
Osteocalcin

>  <URL> (2,237)
http://selleckchem.com/products/.html

>  <CAS Number> (2,237)
84-80-0

$$$$
S4855 Eluxadoline.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,238)
2238

>  <Formula> (2,238)
C32H35N5O5

>  <MolWeight> (2,238)
569.6508

>  <Item Name> (2,238)
Eluxadoline

>  <Catalog Number> (2,238)
S4855

>  <Synonyms> (2,238)
JNJ-27018966

>  <Target> (2,238)
opioid receptor

>  <URL> (2,238)
http://selleckchem.com/products/.html

>  <CAS Number> (2,238)
864821-90-9

$$$$
S4986 Latamoxef sodium.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,239)
2239

>  <Formula> (2,239)
C20H18N6Na2O9S

>  <MolWeight> (2,239)
564.43626

>  <Item Name> (2,239)
Latamoxef sodium

>  <Catalog Number> (2,239)
S4986

>  <Synonyms> (2,239)
Moxalactam sodium salt

>  <Target> (2,239)
Antibacterial

>  <URL> (2,239)
http://selleckchem.com/products/.html

>  <CAS Number> (2,239)
64953-12-4

$$$$
S5255 Nicardipine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,240)
2240

>  <Formula> (2,240)
C26H29N3O6

>  <MolWeight> (2,240)
479.52496

>  <Item Name> (2,240)
Nicardipine

>  <Catalog Number> (2,240)
S5255

>  <Synonyms> (2,240)
YC-93

>  <Target> (2,240)
Others

>  <URL> (2,240)
http://selleckchem.com/products/.html

>  <CAS Number> (2,240)
55985-32-5

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,241)
2241

>  <Formula> (2,241)
C45H70N12O14S2

>  <MolWeight> (2,241)
1067.2393

>  <Item Name> (2,241)
Oxytocin (Syntocinon)

>  <Catalog Number> (2,241)
P1029

>  <Form> (2,241)
Free Base

>  <URL> (2,241)
http://www.selleckchem.com/peptide/Oxytocin-Acetate(Syntocinon).html

>  <CAS Number> (2,241)
50-56-6

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,242)
2242

>  <Formula> (2,242)
C42H50N8O5

>  <MolWeight> (2,242)
746.897

>  <Item Name> (2,242)
GHRP-2

>  <Catalog Number> (2,242)
P1049

>  <Form> (2,242)
Free Base

>  <CAS Number> (2,242)
158861-67-7

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,243)
2243

>  <Formula> (2,243)
C98H138N24O33

>  <MolWeight> (2,243)
2180.28532

>  <Item Name> (2,243)
Bivalirudin Trifluoroacetate

>  <Catalog Number> (2,243)
P1004

>  <Form> (2,243)
Trifluoroacetat

>  <URL> (2,243)
http://www.selleckchem.com/peptide/bivalirudin-trifluoroacetate.html

>  <CAS Number> (2,243)
128270-60-0

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,244)
2244

>  <Formula> (2,244)
C35H49N11O9S2

>  <MolWeight> (2,244)
831.96186

>  <Item Name> (2,244)
Eptifibatide Acetate

>  <Catalog Number> (2,244)
P1011

>  <Form> (2,244)
Acetate

>  <CAS Number> (2,244)
148031-34-9

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,245)
2245

>  <Formula> (2,245)
C46H65N13O12S2

>  <MolWeight> (2,245)
1056.2182

>  <Item Name> (2,245)
Lypressin Acetate

>  <Catalog Number> (2,245)
P1015

>  <Form> (2,245)
Acetate

>  <URL> (2,245)
http://www.selleckchem.com/peptide/lypressin-acetate.html

>  <CAS Number> (2,245)
50-57-7

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,246)
2246

>  <Formula> (2,246)
C43H67N11O12S2

>  <MolWeight> (2,246)
994.18858

>  <Item Name> (2,246)
Atosiban Acetate

>  <Catalog Number> (2,246)
P1025

>  <Form> (2,246)
Acetate

>  <URL> (2,246)
http://www.selleckchem.com/peptide/atosiban-acetate.html

>  <CAS Number> (2,246)
90779-69-4

$$$$

csChFnd80/01151910432D

239243  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,247)
2247

>  <Formula> (2,247)
C145H240N44O48S2

>  <MolWeight> (2,247)
3431.8531

>  <Item Name> (2,247)
Salmon Calcitonin Acetate

>  <Catalog Number> (2,247)
P1030

>  <Form> (2,247)
Acetate

>  <URL> (2,247)
http://www.selleckchem.com/peptide/salmon-calcitonin-acetate.html

>  <CAS Number> (2,247)
47931-85-1

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,248)
2248

>  <Formula> (2,248)
C66H83N17O13

>  <MolWeight> (2,248)
1322.47132

>  <Item Name> (2,248)
Nafarelin Acetate

>  <Catalog Number> (2,248)
P1061

>  <Form> (2,248)
Acetate

>  <CAS Number> (2,248)
76932-56-4

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,249)
2249

>  <Formula> (2,249)
C171H267N51O53S2

>  <MolWeight> (2,249)
3949.38958

>  <Item Name> (2,249)
Pramlintide Acetate

>  <Catalog Number> (2,249)
P1063

>  <Synonyms> (2,249)
N/A

>  <Form> (2,249)
Acetate

$$$$

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M  END
>  <Mol_ID> (2,250)
2250

>  <Formula> (2,250)
C59H84N16O12

>  <MolWeight> (2,250)
1209.39826

>  <Catalog Number> (2,250)
P1013

>  <Target> (2,250)
5-alpha Reductase

>  <URL> (2,250)
http://selleckchem.com/products/leuprorelin-acetate.html

>  <CAS Number> (2,250)
53714-56-0

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,251)
2251

>  <Formula> (2,251)
C56H78N16O12

>  <MolWeight> (2,251)
1167.31852

>  <Catalog Number> (2,251)
P1023

>  <URL> (2,251)
http://selleckchem.com/products/alarelin-acetate.html

>  <CAS Number> (2,251)
79561-22-1

$$$$
>  <Mol_ID> (2,252)
2252

>  <Catalog Number> (2,252)
P1026

>  <Target> (2,252)
5-alpha Reductase

>  <URL> (2,252)
http://selleckchem.com/products/gonadorelin-acetate.html

>  <CAS Number> (2,252)
71447-49-9

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,253)
2253

>  <Formula> (2,253)
C52H74N16O15S2

>  <MolWeight> (2,253)
1227.37216

>  <Catalog Number> (2,253)
P1034

>  <Target> (2,253)
5-alpha Reductase

>  <URL> (2,253)
http://selleckchem.com/products/terlipressin-acetate.html

>  <CAS Number> (2,253)
14636-12-5

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,254)
2254

>  <Formula> (2,254)
C153H225N43O49S

>  <MolWeight> (2,254)
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>  <Catalog Number> (2,254)
P1056

>  <Target> (2,254)
5-alpha Reductase

>  <URL> (2,254)
http://selleckchem.com/products/glucagon-hydrochloride.html

>  <CAS Number> (2,254)
16941-32-5

$$$$

csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,255)
2255

>  <Formula> (2,255)
C52H75N13O14

>  <MolWeight> (2,255)
1106.2306

>  <Catalog Number> (2,255)
P1085

>  <Target> (2,255)
Gq

>  <URL> (2,255)
http://selleckchem.com/products/.html

>  <CAS Number> (2,255)
68521-88-0

$$$$
S5672 Hydroxyhexamide.cdx
csChFnd80/01151910432D

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S5672

>  <Form> (2,256)
free base

>  <CAS Number> (2,256)
3168-01-2

$$$$

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>  <Synonyms> (2,257)
DDAVP

>  <Target> (2,257)
V2 receptors

>  <CAS Number> (2,257)
16679-58-6(free base)

$$$$
Apremilast (CC-10004).cdx
csChFnd80/01151910432D

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>  <Item Name> (2,258)
Apremilast (CC-10004)
Apremilast (CC-10004)

>  <Catalog Number> (2,258)
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>  <Synonyms> (2,258)
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PDE

>  <Form> (2,258)
Free Base

>  <URL> (2,258)
http://www.selleckchem.com/products/apremilast-cc-10004.html

>  <CAS Number> (2,258)
608141-41-9

$$$$
Edoxaban.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,259)
2259

>  <Formula> (2,259)
C31H40ClN7O8S2

>  <MolWeight> (2,259)
738.2744

>  <Item Name> (2,259)
Edoxaban

>  <Catalog Number> (2,259)
S7280

>  <Synonyms> (2,259)
DU-176b

>  <Target> (2,259)
Factor Xa

>  <Form> (2,259)
Tosylate hydrate

>  <URL> (2,259)
http://www.selleckchem.com/products/edoxaban.html

>  <CAS Number> (2,259)
1229194-11-9

$$$$
P1017 Octreotide Acetate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,260)
2260

>  <Formula> (2,260)
C49H66N10O10S2

>  <MolWeight> (2,260)
1019.23934

>  <Item Name> (2,260)
Octreotide Acetate

>  <Catalog Number> (2,260)
P1017

>  <Form> (2,260)
Acetate

>  <CAS Number> (2,260)
79517-01-4

$$$$
S5371 Ajmaline.cdx
csChFnd80/01151910432D

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M  END
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2261

>  <Formula> (2,261)
C20H26N2O2

>  <MolWeight> (2,261)
326.43264

>  <Item Name> (2,261)
Ajmaline

>  <Catalog Number> (2,261)
S5371

>  <Target> (2,261)
"Potassium Channel
Sodium Channel"

>  <Form> (2,261)
free base

>  <URL> (2,261)
http://selleckchem.com/products/.html

>  <CAS Number> (2,261)
4360-12-7

$$$$
S5372 Methyl Aminolevulinate Hydrochloride.cdx
csChFnd80/01151910432D

 11  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,262)
2262

>  <Formula> (2,262)
C6H12ClNO3

>  <MolWeight> (2,262)
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>  <Item Name> (2,262)
Methyl Aminolevulinate Hydrochloride

>  <Catalog Number> (2,262)
S5372

>  <Target> (2,262)
Others

>  <Form> (2,262)
free base

>  <URL> (2,262)
http://selleckchem.com/products/.html

>  <CAS Number> (2,262)
79416-27-6 

$$$$
S5385 Imidafenacin.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,263)
2263

>  <Formula> (2,263)
C20H21N3O

>  <MolWeight> (2,263)
319.40024

>  <Item Name> (2,263)
Imidafenacin

>  <Catalog Number> (2,263)
S5385

>  <Target> (2,263)
mAChR

>  <Form> (2,263)
free base

>  <URL> (2,263)
http://selleckchem.com/products/.html

>  <CAS Number> (2,263)
170105-16-5 

$$$$
S5399 Chlorprothixene hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,264)
2264

>  <Formula> (2,264)
C18H19Cl2NS

>  <MolWeight> (2,264)
352.32116

>  <Item Name> (2,264)
Chlorprothixene hydrochloride

>  <Catalog Number> (2,264)
S5399

>  <Target> (2,264)
AmpC Beta-Lactamase

>  <Form> (2,264)
free base

>  <URL> (2,264)
http://selleckchem.com/products/.html

>  <CAS Number> (2,264)
6469-93-8

$$$$
S5418 Parecoxib Sodium.cdx
csChFnd80/01151910432D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,265)
2265

>  <Formula> (2,265)
C19H17N2NaO4S

>  <MolWeight> (2,265)
392.40405

>  <Item Name> (2,265)
Parecoxib Sodium

>  <Catalog Number> (2,265)
S5418

>  <Target> (2,265)
calcium channel

>  <Form> (2,265)
free base

>  <URL> (2,265)
http://selleckchem.com/products/.html

>  <CAS Number> (2,265)
198470-85-8

$$$$
S5531 Doripenem.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,266)
2266

>  <Formula> (2,266)
C15H24N4O6S2

>  <MolWeight> (2,266)
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>  <Item Name> (2,266)
Doripenem

>  <Catalog Number> (2,266)
S5531

>  <Target> (2,266)
Bacterial

>  <Form> (2,266)
free base

>  <URL> (2,266)
http://selleckchem.com/products/.html

>  <CAS Number> (2,266)
148016-81-3

$$$$
S5533 Tobramycin sulfate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,267)
2267

>  <Formula> (2,267)
C36H84N10O38S5

>  <MolWeight> (2,267)
1425.42136

>  <Item Name> (2,267)
Tobramycin sulfate

>  <Catalog Number> (2,267)
S5533

>  <Form> (2,267)
free base

>  <CAS Number> (2,267)
79645-27-5

$$$$
S5581 Olmesartan.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,268)
2268

>  <Formula> (2,268)
C24H26N6O3

>  <MolWeight> (2,268)
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>  <Item Name> (2,268)
Olmesartan

>  <Catalog Number> (2,268)
S5581

>  <Target> (2,268)
Angiotensin Receptor

>  <Form> (2,268)
free base

>  <URL> (2,268)
http://selleckchem.com/products/.html

>  <CAS Number> (2,268)
144689-24-7

$$$$
S5592 Vitamin A.cdx
csChFnd80/01151910432D

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>  <Target> (2,269)
Others

>  <Form> (2,269)
free base

>  <URL> (2,269)
http://selleckchem.com/products/.html

>  <CAS Number> (2,269)
68-26-8

$$$$
S5238 Solifenacin.cdx
csChFnd80/01151910432D

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>  <Formula> (2,270)
C23H26N2O2

>  <MolWeight> (2,270)
362.46474

>  <Item Name> (2,270)
Solifenacin

>  <Catalog Number> (2,270)
S5238

>  <Form> (2,270)
free base

>  <CAS Number> (2,270)
242478-37-1

$$$$
S5278 Tedizolid.cdx
csChFnd80/01151910432D

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C17H15FN6O3

>  <MolWeight> (2,271)
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Tedizolid

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S5278

>  <Target> (2,271)
Bacterial

>  <URL> (2,271)
http://selleckchem.com/products/.html

>  <CAS Number> (2,271)
856866-72-3

$$$$
S5535 Moxifloxacin.cdx
csChFnd80/01151910432D

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2272

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>  <Catalog Number> (2,272)
S5535

>  <Form> (2,272)
free base

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151096-09-2

$$$$
S5564 Xylazine.cdx
csChFnd80/01151910432D

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>  <Formula> (2,273)
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>  <MolWeight> (2,273)
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>  <Target> (2,273)
Adrenergic Receptor

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free base

>  <URL> (2,273)
http://selleckchem.com/products/.html

>  <CAS Number> (2,273)
7361-61-7

$$$$
S5568 Tocofersolan.cdx
csChFnd80/01151910432D

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$$$$
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csChFnd80/01151910432D

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free base

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54301-15-4

$$$$
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csChFnd80/01151910432D

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170098-38-1 

$$$$
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free base

>  <CAS Number> (2,277)
1639208-54-0

$$$$
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csChFnd80/01151910432D

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2278

>  <Formula> (2,278)
C37H46NNaO12

>  <MolWeight> (2,278)
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>  <Item Name> (2,278)
Rifamycin sodium salt

>  <Catalog Number> (2,278)
S5054

>  <Target> (2,278)
Others

>  <URL> (2,278)
http://selleckchem.com/products/.html

>  <CAS Number> (2,278)
14897-39-3

$$$$
S5392 Mepivacaine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,279)
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>  <MolWeight> (2,279)
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Mepivacaine

>  <Catalog Number> (2,279)
S5392

>  <Target> (2,279)
Sodium Channel

>  <Form> (2,279)
free base

>  <URL> (2,279)
http://selleckchem.com/products/.html

>  <CAS Number> (2,279)
96-88-8 

$$$$
S5491 Lomefloxacin.cdx
csChFnd80/01151910432D

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>  <Formula> (2,280)
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Lomefloxacin

>  <Catalog Number> (2,280)
S5491

>  <Target> (2,280)
Bacterial

>  <Form> (2,280)
free base

>  <URL> (2,280)
http://selleckchem.com/products/.html

>  <CAS Number> (2,280)
98079-51-7

$$$$
S5507 Trimebutine maleate.cdx
csChFnd80/01151910432D

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Trimebutine maleate

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Lamin A Splicing

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34140-59-5

$$$$
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csChFnd80/01151910432D

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Phosphodiesterase (PDE)

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free base

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

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106730-54-5

$$$$
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csChFnd80/01151910432D

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Phthalylsulfathiazole

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Bacterial

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free base

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85-73-4

$$$$
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csChFnd80/01151910432D

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>  <Target> (2,284)
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free base

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

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610309-89-2 

$$$$
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>  <Target> (2,285)
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free base

>  <URL> (2,285)
http://selleckchem.com/products/.html

>  <CAS Number> (2,285)
89213-87-6

$$$$
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csChFnd80/01151910432D

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2286

>  <Formula> (2,286)
C18H28NO4P

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>  <Item Name> (2,286)
Dimemorfan phosphate

>  <Catalog Number> (2,286)
S5280

>  <Target> (2,286)
ER-alpha

>  <URL> (2,286)
http://selleckchem.com/products/.html

>  <CAS Number> (2,286)
36304-84-4

$$$$
S5287 Tiletamine Hydrochloride.cdx
csChFnd80/01151910432D

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2287

>  <Formula> (2,287)
C12H18ClNOS

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Tiletamine Hydrochloride

>  <Catalog Number> (2,287)
S5287

>  <Target> (2,287)
ER-alpha

>  <URL> (2,287)
http://selleckchem.com/products/.html

>  <CAS Number> (2,287)
14176-50-2

$$$$
S5288 Estropipate.cdx
csChFnd80/01151910432D

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2288

>  <Formula> (2,288)
C22H32N2O5S

>  <MolWeight> (2,288)
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>  <Item Name> (2,288)
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>  <Catalog Number> (2,288)
S5288

>  <Target> (2,288)
Estrogen Receptor/ERR

>  <URL> (2,288)
http://selleckchem.com/products/.html

>  <CAS Number> (2,288)
7280-37-7

$$$$
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csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,289)
2289

>  <Formula> (2,289)
C20H14O4

>  <MolWeight> (2,289)
318.32276

>  <Item Name> (2,289)
Phenolphthalein

>  <Catalog Number> (2,289)
S5395

>  <Target> (2,289)
Fluorescent Dyes/Probes

>  <Form> (2,289)
free base

>  <URL> (2,289)
http://selleckchem.com/products/.html

>  <CAS Number> (2,289)
77-09-8

$$$$
S5397 Chlorhexidine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,290)
2290

>  <Formula> (2,290)
C22H30Cl2N10

>  <MolWeight> (2,290)
505.4466

>  <Item Name> (2,290)
Chlorhexidine

>  <Catalog Number> (2,290)
S5397

>  <Target> (2,290)
Bacterial

>  <Form> (2,290)
free base

>  <URL> (2,290)
http://selleckchem.com/products/.html

>  <CAS Number> (2,290)
55-56-1

$$$$
S5398 Nefazodone hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,291)
2291

>  <Formula> (2,291)
C25H33Cl2N5O2

>  <MolWeight> (2,291)
506.46782

>  <Item Name> (2,291)
Nefazodone hydrochloride

>  <Catalog Number> (2,291)
S5398

>  <Target> (2,291)
5-HT Receptor

>  <Form> (2,291)
free base

>  <URL> (2,291)
http://selleckchem.com/products/.html

>  <CAS Number> (2,291)
82752-99-6

$$$$
S5477 Gefarnate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,292)
2292

>  <Formula> (2,292)
C27H44O2

>  <MolWeight> (2,292)
400.63706

>  <Item Name> (2,292)
Gefarnate

>  <Catalog Number> (2,292)
S5477

>  <Target> (2,292)
Others

>  <Form> (2,292)
free base

>  <URL> (2,292)
http://selleckchem.com/products/.html

>  <CAS Number> (2,292)
51-77-4

$$$$
S5702 Fenipentol.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,293)
2293

>  <Formula> (2,293)
C11H16O

>  <MolWeight> (2,293)
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>  <Item Name> (2,293)
Fenipentol

>  <Catalog Number> (2,293)
S5702

>  <Target> (2,293)
AR

>  <Form> (2,293)
free base

>  <URL> (2,293)
http://selleckchem.com/products/.html

>  <CAS Number> (2,293)
583-03-9 

$$$$
S9327 Carboprost.cdx
csChFnd80/01151910432D

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35700-23-3

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csChFnd80/01151910432D

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Autophagy"

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free base

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54-36-4

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S5450 Sofalcone.cdx
csChFnd80/01151910432D

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free base

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64506-49-6

$$$$
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csChFnd80/01151910432D

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62893-20-3

$$$$
S5488 Fluorescein.cdx
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M  END
>  <Mol_ID> (2,298)
2298

>  <Formula> (2,298)
C20H12O5

>  <MolWeight> (2,298)
332.30628

>  <Item Name> (2,298)
Fluorescein

>  <Catalog Number> (2,298)
S5488

>  <Target> (2,298)
Fluorescent Dyes/Probes

>  <Form> (2,298)
free base

>  <URL> (2,298)
http://selleckchem.com/products/.html
http://selleckchem.com/products/.html

>  <CAS Number> (2,298)
2321-07-5

$$$$
S3623 Ceftibuten (dihydrate).cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,299)
2299

>  <Formula> (2,299)
C15H18N4O8S2

>  <MolWeight> (2,299)
446.45542

>  <Item Name> (2,299)
Ceftibuten (dihydrate)

>  <Catalog Number> (2,299)
S3623

>  <Synonyms> (2,299)
Sch-39720 dihydrate

>  <Target> (2,299)
Anti-infection

>  <URL> (2,299)
http://selleckchem.com/products/.html

>  <CAS Number> (2,299)
118081-34-8

$$$$
S5546 Sulfacetamide.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,300)
2300

>  <Formula> (2,300)
C8H10N2O3S

>  <MolWeight> (2,300)
214.2416

>  <Item Name> (2,300)
Sulfacetamide

>  <Catalog Number> (2,300)
S5546

>  <Target> (2,300)
Bacterial

>  <Form> (2,300)
free base

>  <URL> (2,300)
http://selleckchem.com/products/.html

>  <CAS Number> (2,300)
144-80-9

$$$$
S5478 Dantrolene sodium.cdx
csChFnd80/01151910432D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.0763    4.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,301)
2301

>  <Formula> (2,301)
C14H9N4NaO5

>  <MolWeight> (2,301)
336.23483

>  <Item Name> (2,301)
Dantrolene sodium

>  <Catalog Number> (2,301)
S5478

>  <Synonyms> (2,301)
"sodium;3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxo-4H-imidazol-2-olate
DANTROLENE S

>  <Target> (2,301)
calcium channel

>  <Form> (2,301)
free base

>  <URL> (2,301)
http://selleckchem.com/products/.html

>  <CAS Number> (2,301)
14663-23-1

$$$$
S5504 Ropivacaine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,302)
2302

>  <Formula> (2,302)
C17H26N2O

>  <MolWeight> (2,302)
274.40114

>  <Item Name> (2,302)
Ropivacaine

>  <Catalog Number> (2,302)
S5504

>  <Target> (2,302)
Potassium Channel

>  <URL> (2,302)
http://selleckchem.com/products/.html

>  <CAS Number> (2,302)
84057-95-4

$$$$
S5619 Betahistine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,303)
2303

>  <Formula> (2,303)
C8H12N2

>  <MolWeight> (2,303)
136.19428

>  <Item Name> (2,303)
Betahistine

>  <Catalog Number> (2,303)
S5619

>  <Target> (2,303)
Histamine Receptor

>  <Form> (2,303)
free base

>  <URL> (2,303)
http://selleckchem.com/products/.html

>  <CAS Number> (2,303)
5638-76-6

$$$$
S5637 Cefotiam Hexetil Hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,304)
2304

>  <Formula> (2,304)
C27H39Cl2N9O7S3

>  <MolWeight> (2,304)
768.75566

>  <Item Name> (2,304)
Cefotiam Hexetil Hydrochloride

>  <Catalog Number> (2,304)
S5637

>  <Target> (2,304)
Others

>  <Form> (2,304)
free base

>  <URL> (2,304)
http://selleckchem.com/products/.html

>  <CAS Number> (2,304)
95789-30-3

$$$$
S5638 Cefozopran hydrochloride.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,305)
2305

>  <Formula> (2,305)
C19H18ClN9O5S2

>  <MolWeight> (2,305)
551.98652

>  <Item Name> (2,305)
Cefozopran hydrochloride

>  <Catalog Number> (2,305)
S5638

>  <Target> (2,305)
Others

>  <Form> (2,305)
free base

>  <URL> (2,305)
http://selleckchem.com/products/.html

>  <CAS Number> (2,305)
113981-44-5

$$$$
S5644 Ceftriaxone Sodium.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,306)
2306

>  <Formula> (2,306)
C18H16N8Na2O7S3

>  <MolWeight> (2,306)
598.54358

>  <Item Name> (2,306)
Ceftriaxone Sodium

>  <Catalog Number> (2,306)
S5644

>  <Target> (2,306)
Others

>  <Form> (2,306)
free base

>  <URL> (2,306)
http://selleckchem.com/products/.html

>  <CAS Number> (2,306)
74578-69-1

$$$$
S5650 Sodium Hyaluronate.cdx
csChFnd80/01151910432D

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9067-32-7

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csChFnd80/01151910432D

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18683-91-5

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csChFnd80/01151910432D

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free base

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25905-77-5

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csChFnd80/01151910432D

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csChFnd80/01151910432D

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csChFnd80/01151910432D

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H1-receptor

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free base

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

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10246-75-0

$$$$
S5662 Ranitidine.cdx
csChFnd80/01151910432D

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2313

>  <Formula> (2,313)
C13H22N4O3S

>  <MolWeight> (2,313)
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>  <Item Name> (2,313)
Ranitidine

>  <Catalog Number> (2,313)
S5662

>  <Target> (2,313)
Histamine Receptor

>  <Form> (2,313)
free base

>  <URL> (2,313)
http://selleckchem.com/products/.html

>  <CAS Number> (2,313)
66357-35-5

$$$$
S5664 Orphenadrine Hydrochloride.cdx
csChFnd80/01151910432D

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2314

>  <Formula> (2,314)
C18H24ClNO

>  <MolWeight> (2,314)
305.84226

>  <Item Name> (2,314)
Orphenadrine Hydrochloride

>  <Catalog Number> (2,314)
S5664

>  <Target> (2,314)
Others

>  <Form> (2,314)
free base

>  <URL> (2,314)
http://selleckchem.com/products/.html

>  <CAS Number> (2,314)
341-69-5

$$$$
S5724 Dichlorophene.cdx
csChFnd80/01151910432D

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2315

>  <Formula> (2,315)
C13H10Cl2O2

>  <MolWeight> (2,315)
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>  <Catalog Number> (2,315)
S5724

>  <Target> (2,315)
VDR

>  <Form> (2,315)
free base

>  <URL> (2,315)
http://selleckchem.com/products/.html

>  <CAS Number> (2,315)
97-23-4

$$$$
S5733 Stearic acid.cdx
csChFnd80/01151910432D

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2316

>  <Formula> (2,316)
C18H36O2

>  <MolWeight> (2,316)
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>  <Item Name> (2,316)
Stearic acid

>  <Catalog Number> (2,316)
S5733

>  <Target> (2,316)
NF-kB

>  <Form> (2,316)
free base

>  <URL> (2,316)
http://selleckchem.com/products/.html

>  <CAS Number> (2,316)
57-11-4 

$$$$
S5723 Carvedilol EP IMpurity E.cdx
csChFnd80/01151910432D

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>  <Formula> (2,317)
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>  <Item Name> (2,317)
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>  <Target> (2,317)
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>  <Form> (2,317)
free base

>  <URL> (2,317)
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64464-07-9

$$$$
S5725 Pempidine.cdx
csChFnd80/01151910432D

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free base

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

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79-55-0 

$$$$
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csChFnd80/01151910432D

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GLI3

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free base

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6064-83-1

$$$$
S4281 Tasimelteon.cdx
csChFnd80/01151910432D

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S4281

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Melatonin Receptor

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free base

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

>  <CAS Number> (2,320)
609799-22-6  

$$$$
S5010 Indometacin Sodium.cdx
csChFnd80/01151910432D

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>  <Formula> (2,321)
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>  <Target> (2,321)
Others

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sodium salt trihydrate 

>  <URL> (2,321)
http://selleckchem.com/products/.html

>  <CAS Number> (2,321)
74252-25-8

$$$$
S5067 Losartan.cdx
csChFnd80/01151910432D

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>  <Formula> (2,322)
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>  <Catalog Number> (2,322)
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>  <Target> (2,322)
Angiotensin Receptor

>  <Form> (2,322)
free base

>  <URL> (2,322)
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>  <CAS Number> (2,322)
114798-26-4

$$$$
S5203 Sulbutiamine.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,323)
2323

>  <Formula> (2,323)
C32H46N8O6S2

>  <MolWeight> (2,323)
702.88764

>  <Item Name> (2,323)
Sulbutiamine

>  <Catalog Number> (2,323)
S5203

>  <Target> (2,323)
Others

>  <Form> (2,323)
free base

>  <URL> (2,323)
http://selleckchem.com/products/.html

>  <CAS Number> (2,323)
3286-46-2

$$$$
S5217 Arformoterol Tartrate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,324)
2324

>  <Formula> (2,324)
C23H30N2O10

>  <MolWeight> (2,324)
494.4917

>  <Item Name> (2,324)
Arformoterol Tartrate

>  <Catalog Number> (2,324)
S5217

>  <Synonyms> (2,324)
(R,R)-Formoterol

>  <Target> (2,324)
Others

>  <Form> (2,324)
Tartrate

>  <URL> (2,324)
http://selleckchem.com/products/.html

>  <CAS Number> (2,324)
200815-49-2

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,325)
2325

>  <Formula> (2,325)
C43H44ClFN4O11S3

>  <MolWeight> (2,325)
943.4760632

>  <Item Name> (2,325)
Lapatinib ditosylate monohydrate

>  <Catalog Number> (2,325)
S5241

>  <Synonyms> (2,325)
Tykerb Ditosylate

>  <Target> (2,325)
Others

>  <Form> (2,325)
ditosylate monohydrate

>  <URL> (2,325)
http://selleckchem.com/products/.html

>  <CAS Number> (2,325)
388082-78-8

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/01151910432D

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M  END
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>  <Formula> (2,326)
C22H27Cl2N7O2S

>  <MolWeight> (2,326)
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>  <Item Name> (2,326)
Dasatinib hydrochloride

>  <Catalog Number> (2,326)
S5254

>  <Synonyms> (2,326)
BMS 354825 hydrochloride

>  <Target> (2,326)
Abl/Src

>  <Form> (2,326)
hydrochloride 

>  <URL> (2,326)
http://selleckchem.com/products/.html

>  <CAS Number> (2,326)
854001-07-3

$$$$
S5728 Delapril Hydrochloride.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,327)
2327

>  <Formula> (2,327)
C26H33ClN2O5

>  <MolWeight> (2,327)
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>  <Item Name> (2,327)
Delapril Hydrochloride

>  <Catalog Number> (2,327)
S5728

>  <Target> (2,327)
RXRA

>  <Form> (2,327)
hydrochloride 

>  <URL> (2,327)
http://selleckchem.com/products/.html

>  <CAS Number> (2,327)
83435-67-0 

$$$$
S5730 Alimemazine Tartrate.cdx
csChFnd80/01151910432D

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M  END
>  <Mol_ID> (2,328)
2328

>  <Formula> (2,328)
C40H50N4O6S2

>  <MolWeight> (2,328)
746.9782

>  <Item Name> (2,328)
Alimemazine Tartrate

>  <Catalog Number> (2,328)
S5730

>  <Target> (2,328)
Others

>  <Form> (2,328)
tartrate

>  <URL> (2,328)
http://selleckchem.com/products/.html

>  <CAS Number> (2,328)
4330-99-8 

$$$$
S5652 Elbasvir.cdx
csChFnd80/01151910432D

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2329

>  <Formula> (2,329)
C49H55N9O7

>  <MolWeight> (2,329)
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>  <Item Name> (2,329)
Elbasvir

>  <Catalog Number> (2,329)
S5652

>  <Synonyms> (2,329)
MK8742

>  <Target> (2,329)
HCV Protease

>  <Form> (2,329)
free base

>  <URL> (2,329)
http://selleckchem.com/products/elbasvir.html

>  <CAS Number> (2,329)
1370468-36-2

$$$$
S5654 Indacaterol.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,330)
2330

>  <Formula> (2,330)
C24H28N2O3

>  <MolWeight> (2,330)
392.49072

>  <Item Name> (2,330)
Indacaterol

>  <Catalog Number> (2,330)
S5654

>  <Synonyms> (2,330)
N/A

>  <Target> (2,330)
Adrenergic Receptor

>  <Form> (2,330)
free base

>  <URL> (2,330)
http://selleckchem.com/products/indacaterol.html

>  <CAS Number> (2,330)
312753-06-3

$$$$
S5655 Venlafaxine.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,331)
2331

>  <Formula> (2,331)
C17H27NO2

>  <MolWeight> (2,331)
277.40178

>  <Item Name> (2,331)
Venlafaxine

>  <Catalog Number> (2,331)
S5655

>  <Synonyms> (2,331)
Wy 45030

>  <Target> (2,331)
5-HT Receptor

>  <URL> (2,331)
http://selleckchem.com/products/venlafaxine.html

>  <CAS Number> (2,331)
93413-69-5

$$$$
S5657 Ertapenem sodium.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,332)
2332

>  <Formula> (2,332)
C22H24N3NaO7S

>  <MolWeight> (2,332)
497.49663

>  <Item Name> (2,332)
Ertapenem sodium

>  <Catalog Number> (2,332)
S5657

>  <Synonyms> (2,332)
MK826

>  <Target> (2,332)
Anti-infection

>  <Form> (2,332)
sodium salt

>  <URL> (2,332)
http://selleckchem.com/products/ertapenem-sodium.html

>  <CAS Number> (2,332)
153773-82-1

$$$$
S5659 Emedastine.cdx
csChFnd80/01151910432D

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>  <Formula> (2,333)
C17H26N4O

>  <MolWeight> (2,333)
302.41454

>  <Item Name> (2,333)
Emedastine

>  <Catalog Number> (2,333)
S5659

>  <Synonyms> (2,333)
N/A

>  <Target> (2,333)
Histamine Receptor

>  <Form> (2,333)
free base

>  <URL> (2,333)
http://selleckchem.com/products/emedastine.html

>  <CAS Number> (2,333)
87233-61-2

$$$$
S5661 Tiaprofenic acid.cdx
csChFnd80/01151910432D

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>  <Formula> (2,334)
C14H12O3S

>  <MolWeight> (2,334)
260.30828

>  <Item Name> (2,334)
Tiaprofenic acid

>  <Catalog Number> (2,334)
S5661

>  <Synonyms> (2,334)
Tiaprofensaeure, Acido tiaprofenico

>  <Target> (2,334)
Immunology & Inflammation related

>  <Form> (2,334)
free base

>  <URL> (2,334)
http://selleckchem.com/products/tiaprofenic-acid.html

>  <CAS Number> (2,334)
33005-95-7

$$$$
S5709 Norgestrel.cdx
csChFnd80/01151910432D

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>  <Mol_ID> (2,335)
2335

>  <Formula> (2,335)
C21H28O2

>  <MolWeight> (2,335)
312.44582

>  <Item Name> (2,335)
Norgestrel

>  <Catalog Number> (2,335)
S5709

>  <Target> (2,335)
CDK

>  <Form> (2,335)
free base

>  <URL> (2,335)
http://selleckchem.com/products/abemaciclib.html

>  <CAS Number> (2,335)
6533-00-2 

$$$$
S5711 Deracoxib.cdx
csChFnd80/01151910432D

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2336

>  <Formula> (2,336)
C17H14F3N3O3S

>  <MolWeight> (2,336)
397.3715696

>  <Item Name> (2,336)
Deracoxib

>  <Catalog Number> (2,336)
S5711

>  <Synonyms> (2,336)
SC-046

>  <Target> (2,336)
COX

>  <Form> (2,336)
free base

>  <URL> (2,336)
http://selleckchem.com/products/deracoxib.html

>  <CAS Number> (2,336)
169590-41-4 

$$$$
S5714 lurasidone.cdx
csChFnd80/01151910432D

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>  <Formula> (2,337)
C28H36N4O2S

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>  <Item Name> (2,337)
lurasidone

>  <Catalog Number> (2,337)
S5714

>  <Synonyms> (2,337)
SM-13496

>  <Target> (2,337)
Dopamine Receptor,5-HT Receptor

>  <Form> (2,337)
free base

>  <URL> (2,337)
http://selleckchem.com/products/lurasidone.html

>  <CAS Number> (2,337)
367514-87-2

$$$$
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csChFnd80/01151910432D

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>  <Synonyms> (2,338)
LY2835219

>  <Target> (2,338)
CDK

>  <Form> (2,338)
free base

>  <URL> (2,338)
http://selleckchem.com/products/abemaciclib.html

>  <CAS Number> (2,338)
1231929-97-7 

$$$$
S5717 Acetohexamide.cdx
csChFnd80/01151910432D

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>  <Formula> (2,339)
C15H20N2O4S

>  <MolWeight> (2,339)
324.3953

>  <Item Name> (2,339)
Acetohexamide

>  <Catalog Number> (2,339)
S5717

>  <Synonyms> (2,339)
N/A

>  <Target> (2,339)
Others

>  <Form> (2,339)
free base

>  <URL> (2,339)
http://selleckchem.com/products/acetohexamide.html

>  <CAS Number> (2,339)
968-81-0

$$$$
