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$$$$
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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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Src, Bcr-Abl

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Free Base

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

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379231-04-6

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

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>  <Synonyms> (6)
ARRY-142886 

>  <Target> (6)
MEK

>  <Form> (6)
Free Base

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

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

$$$$
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>  <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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Bosutinib (SKI-606)

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N/A 

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Src

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Free Base

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

>  <CAS Number> (8)
380843-75-4

$$$$
untitled.cdx
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>  <Mol_ID> (9)
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Cediranib (AZD2171)

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Recentin 

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VEGFR, Flt

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Free Base

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

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288383-20-0

$$$$
CI1040.cdx
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>  <Mol_ID> (10)
14

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MEK 

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Free Base

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http://www.selleckchem.com/products/CI-1040-(PD184352).html

>  <CAS Number> (10)
212631-79-3

$$$$
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Src, Bcr-Abl, c-Kit

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>  <URL> (11)
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302962-49-8

$$$$
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M  END
>  <Mol_ID> (12)
17

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C53H84NO14P

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>  <Item Name> (12)
Deforolimus (MK-8669) 

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S1022

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AP23573, MK-8669

>  <Target> (12)
mTOR

>  <Form> (12)
Free Base

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

>  <CAS Number> (12)
572924-54-0

$$$$
untitled.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (13)
19

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>  <Item Name> (13)
Gefitinib (ZD1839)

>  <Catalog Number> (13)
S1025

>  <Synonyms> (13)
N/A

>  <Target> (13)
EGFR

>  <Form> (13)
Free Base

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

>  <CAS Number> (13)
184475-35-2

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (14)
21

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C43H42ClFN4O10S3

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Lapatinib (GW-572016) Ditosylate

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S1028

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GW-57201

>  <Target> (14)
EGFR, HER2

>  <Form> (14)
Ditosylat

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

>  <CAS Number> (14)
388082-77-7

$$$$
untitled.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (15)
22

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C13H13N3O3

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259.26062

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Lenalidomide (CC-5013)

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S1029

>  <Synonyms> (15)
CC-5013

>  <Target> (15)
TNF-alpha

>  <Form> (15)
Free Base

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

>  <CAS Number> (15)
191732-72-6

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (16)
24

>  <Formula> (16)
C22H29N5O9P2

>  <MolWeight> (16)
569.441282

>  <Item Name> (16)
Motesanib Diphosphate (AMG-706)

>  <Catalog Number> (16)
S1032

>  <Synonyms> (16)
AMG-706

>  <Target> (16)
VEGFR, PDGFR, c-Kit

>  <Form> (16)
Diphosphate

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

>  <CAS Number> (16)
857876-30-3

$$$$
untitled.cdx
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>  <Mol_ID> (17)
25

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C28H22F3N7O

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Nilotinib (AMN-107)

>  <Catalog Number> (17)
S1033

>  <Synonyms> (17)
Tasigna 

>  <Target> (17)
Bcr-Abl

>  <Form> (17)
Free Base

>  <URL> (17)
http://www.selleckchem.com/products/Nilotinib.html

>  <CAS Number> (17)
641571-10-0

$$$$
untitled.cdx
csChFnd80/10101811552D

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Pazopanib HCl

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GW786034

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VEGFR, PDGFR, c-Kit

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635702-64-6

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MEK 

>  <Form> (19)
Free Base

>  <URL> (19)
http://www.selleckchem.com/products/PD-0325901.html

>  <CAS Number> (19)
391210-10-9

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OSU-HDAC42

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HDAC 

>  <Form> (20)
Free Base

>  <URL> (20)
http://www.selleckchem.com/products/AR-42-HDAC-42.html

>  <CAS Number> (20)
935881-37-1

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DNA-PK, PI3K, mTOR

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371935-74-9

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Immunology & Inflammation related

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475473-26-8

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>  <Mol_ID> (23)
32

>  <Formula> (23)
C51H79NO13

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>  <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

$$$$

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>  <Mol_ID> (24)
33

>  <Formula> (24)
C28H24ClF3N4O6S

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637.0265696

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Sorafenib Tosylate

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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

$$$$
untitled.cdx
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>  <Mol_ID> (25)
34

>  <Formula> (25)
C15H13N3S

>  <MolWeight> (25)
267.34882

>  <Item Name> (25)
STF-62247

>  <Catalog Number> (25)
S1041

>  <Synonyms> (25)
N/A

>  <Target> (25)
Others

>  <Form> (25)
Free Base

>  <URL> (25)
http://www.selleckchem.com/products/STF-62247.html

>  <CAS Number> (25)
315702-99-9

$$$$
untitled.cdx
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>  <Mol_ID> (26)
38

>  <Formula> (26)
C22H24BrFN4O2

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>  <Item Name> (26)
Vandetanib (ZD6474)

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S1046

>  <Synonyms> (26)
N/A

>  <Target> (26)
VEGFR

>  <Form> (26)
Free Base

>  <URL> (26)
http://www.selleckchem.com/products/Vandetanib.html

>  <CAS Number> (26)
443913-73-3

$$$$
vorinostat.cdx
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>  <Mol_ID> (27)
39

>  <Formula> (27)
C14H20N2O3

>  <MolWeight> (27)
264.3202

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Vorinostat (SAHA, MK0683)

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S1047

>  <Synonyms> (27)
SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (27)
HDAC

>  <Form> (27)
Free Base

>  <URL> (27)
http://www.selleckchem.com/products/Vorinostat-(SAHA).html

>  <CAS Number> (27)
149647-78-9

$$$$
untitled.cdx
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>  <Mol_ID> (28)
40

>  <Formula> (28)
C23H28N8OS

>  <MolWeight> (28)
464.58642

>  <Item Name> (28)
VX-680 (MK-0457, Tozasertib)

>  <Catalog Number> (28)
S1048

>  <Synonyms> (28)
N/A 

>  <Target> (28)
Aurora Kinase

>  <Form> (28)
Free Base

>  <URL> (28)
http://www.selleckchem.com/products/VX-680(MK-0457).html

>  <CAS Number> (28)
639089-54-6

$$$$
Y-27632 2HCL.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (29)
41

>  <Formula> (29)
C14H23Cl2N3O

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320.25792

>  <Item Name> (29)
Y-27632 2HCl

>  <Catalog Number> (29)
S1049

>  <Synonyms> (29)
N/A

>  <Target> (29)
ROCK

>  <Form> (29)
Dihydrochloride

>  <URL> (29)
http://www.selleckchem.com/products/Y-27632.html

>  <CAS Number> (29)
129830-38-2

$$$$
untitled.cdx
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>  <Mol_ID> (30)
42

>  <Formula> (30)
C19H20N4O2S2

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400.5177

>  <Item Name> (30)
Elesclomol (STA-4783)

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S1052

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STA-4783

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HSP

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Free Base

>  <URL> (30)
http://www.selleckchem.com/products/Elesclomol.html

>  <CAS Number> (30)
488832-69-5

$$$$
untitled.cdx
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HDAC 

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N/A 

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PKC 

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Free Base

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

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170364-57-5

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PARP 

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http://www.selleckchem.com/products/AZD2281(Olaparib).html

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$$$$
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Masitinib (AB1010)

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S1064

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N/A 

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c-Kit, PDGFR, FGFR, FAK

>  <Form> (35)
Free Base

>  <URL> (35)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

>  <CAS Number> (35)
790299-79-5

$$$$
untitled.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (36)
49

>  <Formula> (36)
C23H27N7O3S2

>  <MolWeight> (36)
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>  <Item Name> (36)
Pictilisib (GDC-0941)

>  <Catalog Number> (36)
S1065

>  <Synonyms> (36)
RG7321

>  <Target> (36)
PI3K 

>  <Form> (36)
Free Base

>  <URL> (36)
http://www.selleckchem.com/products/GDC-0941.html

>  <CAS Number> (36)
957054-30-7

$$$$
untitled.cdx
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>  <Mol_ID> (37)
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>  <Formula> (37)
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>  <MolWeight> (37)
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>  <Item Name> (37)
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>  <Synonyms> (37)
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>  <Target> (37)
TGF-beta/Smad

>  <Form> (37)
Free Base

>  <URL> (37)
http://www.selleckchem.com/products/SB-431542.html

>  <CAS Number> (37)
301836-41-9

$$$$
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HSP

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PI3K 

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Free Base

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475110-96-4

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GSK-3 

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Free Base

>  <URL> (40)
http://www.selleckchem.com/products/SB-216763.html

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280744-09-4

$$$$
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S1077

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p38 MAPK 

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Free Base

>  <URL> (41)
http://www.selleckchem.com/products/SB-202190.html

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152121-30-7

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Akt

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>  <URL> (42)
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1032350-13-2

$$$$
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C28H30ClN5O4S

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SU11274

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S1080

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PKI-SU11274

>  <Target> (43)
c-Met 

>  <Form> (43)
Free Base

>  <URL> (43)
http://www.selleckchem.com/products/SU11274.html

>  <CAS Number> (43)
658084-23-2

$$$$
untitled.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (44)
59

>  <Formula> (44)
C19H14Cl2N2O3S

>  <MolWeight> (44)
421.29706

>  <Item Name> (44)
Vismodegib (GDC-0449)

>  <Catalog Number> (44)
S1082

>  <Synonyms> (44)
N/A 

>  <Target> (44)
Hedgehog, P-gp

>  <Form> (44)
Free Base

>  <URL> (44)
http://www.selleckchem.com/products/GDC-0449.html

>  <CAS Number> (44)
879085-55-9

$$$$
Brivanib.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (45)
60

>  <Formula> (45)
C19H19FN4O3

>  <MolWeight> (45)
370.3775632

>  <Item Name> (45)
Brivanib (BMS-540215)

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S1084

>  <Synonyms> (45)
N/A 

>  <Target> (45)
VEGFR, FGFR

>  <Form> (45)
Free Base

>  <URL> (45)
http://www.selleckchem.com/products/Brivanib.html

>  <CAS Number> (45)
649735-46-6

$$$$
untitled.cdx
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>  <Mol_ID> (46)
61

>  <Formula> (46)
C15H14N2O4S

>  <MolWeight> (46)
318.34766

>  <Item Name> (46)
Belinostat (PXD101)

>  <Catalog Number> (46)
S1085

>  <Synonyms> (46)
N/A 

>  <Target> (46)
HDAC 

>  <Form> (46)
Free Base

>  <URL> (46)
http://www.selleckchem.com/products/Belinostat.html

>  <CAS Number> (46)
414864-00-9

$$$$
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>  <Mol_ID> (47)
62

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SAR240550 

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PARP 

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HDAC 

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C20H17Cl3N4

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Vatalanib (PTK787) 2HCl

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S1101

>  <Synonyms> (55)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (55)
VEGFR, c-Kit, Flt

>  <Form> (55)
Dihydrochloride

>  <URL> (55)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

>  <CAS Number> (55)
212141-51-0

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ZM-447439

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>  <Synonyms> (56)
N/A

>  <Target> (56)
Aurora Kinase

>  <Form> (56)
Free Base

>  <URL> (56)
http://www.selleckchem.com/products/ZM-447439.html

>  <CAS Number> (56)
331771-20-1

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>  <Mol_ID> (57)
74

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C19H18N4O2

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GDC-0879

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S1104

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N/A

>  <Target> (57)
Raf

>  <Form> (57)
Free Base

>  <URL> (57)
http://www.selleckchem.com/products/GDC-0879.html

>  <CAS Number> (57)
905281-76-7

$$$$
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>  <Mol_ID> (58)
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LY294002

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S1105

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N/A

>  <Target> (58)
PI3K 

>  <Form> (58)
Free Base

>  <URL> (58)
http://www.selleckchem.com/products/LY294002.html

>  <CAS Number> (58)
154447-36-6

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

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827318-97-8

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Phospholipase

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c-Met 

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1022150-57-7

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c-Met 

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943540-75-8

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mTOR

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159351-69-6

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Bcl-2 

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Free Base

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877877-35-5

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HDAC 

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

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726169-73-9

$$$$
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Sirtuin

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>  <URL> (69)
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1001645-58-4

$$$$
ino-1001.cdx
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PARP 

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3544-24-9

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Alisertib

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Aurora Kinase

>  <Form> (71)
Free Base

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http://www.selleckchem.com/products/MLN8237.html

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1028486-01-2

$$$$
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Bcr-Abl, JAK, Aurora Kinase

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http://www.selleckchem.com/products/AT9283.html

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896466-04-9

$$$$
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Androgen Receptor 

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$$$$
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M  END
>  <Mol_ID> (74)
100

>  <Formula> (74)
C31H43N3O8

>  <MolWeight> (74)
585.68842

>  <Item Name> (74)
17-AAG (Tanespimycin)

>  <Catalog Number> (74)
S1141

>  <Synonyms> (74)
N/A 

>  <Target> (74)
HSP

>  <Form> (74)
Free Base

>  <URL> (74)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

>  <CAS Number> (74)
75747-14-7

$$$$

csChFnd80/10101811552D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0  0  0  0
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 18 13  1  0  0  0  0
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M  END
>  <Mol_ID> (75)
101

>  <Formula> (75)
C22H24FN5O4

>  <MolWeight> (75)
441.4554632

>  <Item Name> (75)
Brivanib alaninate (BMS-582664)

>  <Catalog Number> (75)
S1138 

>  <Synonyms> (75)
N/A 

>  <Target> (75)
VEGFR, FGFR

>  <Form> (75)
Alaninate

>  <URL> (75)
http://www.selleckchem.com/products/Brivanib-alaninate.html

>  <CAS Number> (75)
649735-63-7

$$$$
17-DMAG.cdx
csChFnd80/10101811552D

 45 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (76)
102

>  <Formula> (76)
C32H49ClN4O8

>  <MolWeight> (76)
653.20646

>  <Item Name> (76)
17-DMAG HCl (Alvespimycin)

>  <Catalog Number> (76)
S1142

>  <Synonyms> (76)
NSC 707545 

>  <Target> (76)
HSP

>  <Form> (76)
Hydrochloride

>  <URL> (76)
http://www.selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

>  <CAS Number> (76)
467214-21-7

$$$$
AG-490.cdx
csChFnd80/10101811552D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (77)
103

>  <Formula> (77)
C17H14N2O3

>  <MolWeight> (77)
294.30466

>  <Item Name> (77)
AG-490 (Tyrphostin B42)

>  <Catalog Number> (77)
S1143

>  <Synonyms> (77)
N/A

>  <Target> (77)
JAK, EGFR

>  <Form> (77)
Free Base

>  <URL> (77)
http://www.selleckchem.com/products/AG-490.html

>  <CAS Number> (77)
133550-30-8 

$$$$
VX770.cdx
csChFnd80/10101811552D

 29 31  0  0  0  0  0  0  0  0999 V2000
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873054-44-5

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CDK 

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345627-80-7

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AZD1152 

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Aurora Kinase

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http://www.selleckchem.com/products/AZD1152-HQPA.html

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722544-51-6

$$$$
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DNA/RNA Synthesis

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>  <URL> (81)
http://www.selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

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122111-03-9

$$$$
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M  END
>  <Mol_ID> (96)
129

>  <Formula> (96)
C21H25N7

>  <MolWeight> (96)
375.4701

>  <Item Name> (96)
ENMD-2076

>  <Catalog Number> (96)
S1181

>  <Synonyms> (96)
N/A 

>  <Target> (96)
Flt, Aurora Kinase, VEGFR

>  <Form> (96)
Tartaric Acid 

>  <URL> (96)
http://www.selleckchem.com/products/ENMD-2076.html

>  <CAS Number> (96)
934353-76-1

$$$$
Danoprevir (RG7227,ITMN-191,RO5190591).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (97)
130

>  <Formula> (97)
C35H46FN5O9S

>  <MolWeight> (97)
731.8312432

>  <Item Name> (97)
Danoprevir (ITMN-191)

>  <Catalog Number> (97)
S1183

>  <Synonyms> (97)
RG7227, ITMN-191, RO5190591

>  <Target> (97)
Proteasome, HCV Protease

>  <Form> (97)
Free Base

>  <URL> (97)
http://www.selleckchem.com/products/Danoprevir.html

>  <CAS Number> (97)
850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5

$$$$
Ritonavir.cdx
csChFnd80/10101811552D

 50 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (98)
131

>  <Formula> (98)
C37H48N6O5S2

>  <MolWeight> (98)
720.94422

>  <Item Name> (98)
Ritonavir

>  <Catalog Number> (98)
S1185

>  <Synonyms> (98)
Norvir, Norvir Softgel

>  <Target> (98)
HIV Protease

>  <Form> (98)
Free Base

>  <URL> (98)
http://www.selleckchem.com/products/Ritonavir.html

>  <CAS Number> (98)
155213-67-5

$$$$
Ostarine(MK-2866).cdx
csChFnd80/10101811552D

 28 29  0  0  0  0  0  0  0  0999 V2000
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841205-47-8

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Telomerase

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Free Base

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http://www.selleckchem.com/products/BIBR1532.html

>  <CAS Number> (100)
321674-73-1

$$$$
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Aromatase

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Free Base

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

>  <CAS Number> (101)
120511-73-1

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M  END
>  <Mol_ID> (103)
141

>  <Formula> (103)
C20H24O2

>  <MolWeight> (103)
296.40336

>  <Item Name> (103)
Exemestane

>  <Catalog Number> (103)
S1196

>  <Synonyms> (103)
Aromasin

>  <Target> (103)
Aromatase

>  <Form> (103)
Free Base

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

>  <CAS Number> (103)
107868-30-4

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/10101811552D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (104)
144

>  <Formula> (104)
C8H12N4O4

>  <MolWeight> (104)
228.20528

>  <Item Name> (104)
Decitabine

>  <Catalog Number> (104)
S1200

>  <Synonyms> (104)
Dacogen

>  <Target> (104)
DNA/RNA Synthesis

>  <Form> (104)
Free Base

>  <URL> (104)
http://www.selleckchem.com/products/Decitabine.html

>  <CAS Number> (104)
2353-33-5

$$$$
Dutasteride.cdx
csChFnd80/10101811552D

 41 45  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 28 31  1  0  0  0  0
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 17 19  1  1  0  0  0
 12 36  1  1  0  0  0
  9 37  1  1  0  0  0
  5 38  1  1  0  0  0
  4 39  1  6  0  0  0
 10 40  1  6  0  0  0
 11 41  1  6  0  0  0
M  END
>  <Mol_ID> (105)
145

>  <Formula> (105)
C27H30F6N2O2

>  <MolWeight> (105)
528.5297192

>  <Item Name> (105)
Dutasteride

>  <Catalog Number> (105)
S1202

>  <Synonyms> (105)
Avodart

>  <Target> (105)
5-alpha Reductase

>  <Form> (105)
Free Base

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

>  <CAS Number> (105)
164656-23-9

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/10101811552D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.3676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9646    8.2003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  9  5  2  0  0  0  0
  2 10  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (106)
146

>  <Formula> (106)
C16H15BrClN5O4S

>  <MolWeight> (106)
488.7434

>  <Item Name> (106)
PIK-75 

>  <Catalog Number> (106)
S1205

>  <Synonyms> (106)
N/A

>  <Target> (106)
PI3K, DNA-PK

>  <Form> (106)
Hydrochloride

>  <URL> (106)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

>  <CAS Number> (106)
372196-77-5

$$$$
AV-951.cdx
csChFnd80/10101811552D

 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
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   10.4854    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (107)
147

>  <Formula> (107)
C22H19ClN4O5

>  <MolWeight> (107)
454.86306

>  <Item Name> (107)
Tivozanib (AV-951)

>  <Catalog Number> (107)
S1207

>  <Synonyms> (107)
N/A 

>  <Target> (107)
VEGFR, c-Kit, PDGFR

>  <Form> (107)
Free Base

>  <URL> (107)
http://www.selleckchem.com/products/AV-951.html

>  <CAS Number> (107)
475108-18-0

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/10101811552D

 41 44  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (108)
148

>  <Formula> (108)
C27H30ClNO11

>  <MolWeight> (108)
579.9802

>  <Item Name> (108)
Doxorubicin (Adriamycin) HCl

>  <Catalog Number> (108)
S1208

>  <Synonyms> (108)
N/A 

>  <Target> (108)
Topoisomerase

>  <Form> (108)
Hydrochloride

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

>  <CAS Number> (108)
25316-40-9

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (109)
150

>  <Formula> (109)
C20H22N8O5

>  <MolWeight> (109)
454.43928

>  <Item Name> (109)
Abitrexate (Methotrexate)

>  <Catalog Number> (109)
S1210

>  <Synonyms> (109)
Methotrexate, Rheumatrex, Trexall

>  <Target> (109)
DHFR

>  <Form> (109)
Free Base

>  <URL> (109)
http://www.selleckchem.com/products/Abitrexate.html

>  <CAS Number> (109)
59-05-2

$$$$
Imiquimod.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (110)
151

>  <Formula> (110)
C14H16N4

>  <MolWeight> (110)
240.30364

>  <Item Name> (110)
Imiquimod

>  <Catalog Number> (110)
S1211

>  <Synonyms> (110)
Aldara

>  <Target> (110)
Immunology & Inflammation related

>  <Form> (110)
Free Base

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

>  <CAS Number> (110)
99011-02-6

$$$$
Carboplatin.cdx
csChFnd80/10101811552D

 13 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (111)
155

>  <Formula> (111)
C6H12N2O4Pt

>  <MolWeight> (111)
371.24848

>  <Item Name> (111)
Carboplatin

>  <Catalog Number> (111)
S1215

>  <Synonyms> (111)
Paraplatin

>  <Target> (111)
DNA/RNA Synthesis

>  <Form> (111)
Free Base

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

>  <CAS Number> (111)
41575-94-4

$$$$
OSI-930.cdx
csChFnd80/10101811552D

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c-Kit, VEGFR

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728033-96-3

$$$$
Etoposide.cdx
csChFnd80/10101811552D

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Etoposide (VP-16)
Etoposide

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S1225

>  <Synonyms> (113)
Vepesid 

>  <Target> (113)
Topoisomerase

>  <Form> (113)
Free Base

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

>  <CAS Number> (113)
33419-42-0

$$$$
KU-0063794.cdx
csChFnd80/10101811552D

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162

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mTOR 

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Free Base

>  <URL> (114)
http://www.selleckchem.com/products/KU-0063794.html

>  <CAS Number> (114)
938440-64-3

$$$$
Topotecan.cdx
csChFnd80/10101811552D

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166

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Topotecan HCl

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Hycamtin, NSC 609699

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Topoisomerase 

>  <Form> (115)
Hydrochloride

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

>  <CAS Number> (115)
119413-54-6

$$$$
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csChFnd80/10101811552D

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>  <Mol_ID> (116)
167

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C19H26O3

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302.40794

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2-Methoxyestradiol

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S1233

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2-ME2

>  <Target> (116)
HIF

>  <Form> (116)
Free Base

>  <URL> (116)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

>  <CAS Number> (116)
362-07-2

$$$$
Letrozole.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (117)
168

>  <Formula> (117)
C17H11N5

>  <MolWeight> (117)
285.30274

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Letrozole

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S1235

>  <Synonyms> (117)
Femara, Piroxicam 

>  <Target> (117)
Aromatase 

>  <Form> (117)
Free Base

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

>  <CAS Number> (117)
112809-51-5

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (118)
169

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C6H6N6O2

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194.15084

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Temozolomide

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S1237

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Methazolastone, Temodar, Temodal

>  <Target> (118)
DNA/RNA Synthesis

>  <Form> (118)
Free Base

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

>  <CAS Number> (118)
85622-93-1

$$$$
MP-470.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (119)
171

>  <Formula> (119)
C23H21N5O3S

>  <MolWeight> (119)
447.50954

>  <Item Name> (119)
Amuvatinib (MP-470)

>  <Catalog Number> (119)
S1244

>  <Synonyms> (119)
N/A 

>  <Target> (119)
c-Met, c-Kit, PDGFR, Flt, c-RET

>  <Form> (119)
Free Base

>  <URL> (119)
http://www.selleckchem.com/products/MP-470.html

>  <CAS Number> (119)
850879-09-3

$$$$
JNJ-7706621.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (120)
173

>  <Formula> (120)
C15H12F2N6O3S

>  <MolWeight> (120)
394.3559864

>  <Item Name> (120)
JNJ-7706621

>  <Catalog Number> (120)
S1249

>  <Synonyms> (120)
N/A 

>  <Target> (120)
CDK, Aurora Kinase

>  <Form> (120)
Free Base

>  <URL> (120)
http://www.selleckchem.com/products/JNJ-7706621.html

>  <CAS Number> (120)
443797-96-4

$$$$
Dienogest.cdx
csChFnd80/10101811552D

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196597-26-9

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Complex

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81065-76-1

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M  END
>  <Mol_ID> (125)
182

>  <Formula> (125)
C22H23ClF3N

>  <MolWeight> (125)
393.8729296

>  <Item Name> (125)
AMG-073 HCl (Cinacalcet hydrochloride)

>  <Catalog Number> (125)
S1260

>  <Synonyms> (125)
Mimpara, Sensipar

>  <Target> (125)
CaSR

>  <Form> (125)
Hydrochloride

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

>  <CAS Number> (125)
364782-34-3

$$$$
Celecoxib.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (126)
183

>  <Formula> (126)
C17H14F3N3O2S

>  <MolWeight> (126)
381.3721696

>  <Item Name> (126)
Celecoxib

>  <Catalog Number> (126)
S1261

>  <Synonyms> (126)
Celebrex, Celebra 

>  <Target> (126)
COX

>  <Form> (126)
Free Base

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

>  <CAS Number> (126)
169590-42-5

$$$$
BMS-708163.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (127)
184

>  <Formula> (127)
C20H17ClF4N4O4S

>  <MolWeight> (127)
520.8849928

>  <Item Name> (127)
BMS-708163 (Avagacestat)

>  <Catalog Number> (127)
S1262

>  <Synonyms> (127)
N/A 

>  <Target> (127)
Gamma-secretase

>  <Form> (127)
Free Base

>  <URL> (127)
http://www.selleckchem.com/products/BMS-708163.html

>  <CAS Number> (127)
1146699-66-2

$$$$
PD173074.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (128)
185

>  <Formula> (128)
C28H41N7O3

>  <MolWeight> (128)
523.67024

>  <Item Name> (128)
PD173074

>  <Catalog Number> (128)
S1264

>  <Synonyms> (128)
N/A

>  <Target> (128)
FGFR, VEGFR

>  <Form> (128)
Free Base

>  <URL> (128)
http://www.selleckchem.com/products/PD-173074.html

>  <CAS Number> (128)
219580-11-7

$$$$
WYE-354.cdx
csChFnd80/10101811552D

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mTOR 

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Free Base

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1062169-56-5

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RO5185426

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Raf 

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Free Base

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http://www.selleckchem.com/products/PLX-4032.html

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918504-65-1

$$$$
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csChFnd80/10101811552D

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S1280

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Solian

>  <Target> (131)
Dopamine Receptor

>  <Form> (131)
Free Base

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

>  <CAS Number> (131)
71675-85-9

$$$$
Aniracetam.cdx
csChFnd80/10101811552D

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C12H13NO3

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S1281

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Draganon, Sarpul, Ampamet

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AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (132)
Free Base

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

>  <CAS Number> (132)
72432-10-1

$$$$
Asenapine maleate.cdx
csChFnd80/10101811552D

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193

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C21H20ClNO5

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>  <Item Name> (133)
Asenapine maleate

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S1283

>  <Synonyms> (133)
Saphris

>  <Target> (133)
Adrenergic Receptor, 5-HT Receptor

>  <Form> (133)
Maleate

>  <URL> (133)
http://www.selleckchem.com/products/Asenapine.html

>  <CAS Number> (133)
65576-45-6, 135883-08-8 (Maleic acid)

$$$$
Benazepril hydrochloride.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (134)
194

>  <Formula> (134)
C24H29ClN2O5

>  <MolWeight> (134)
460.95046

>  <Item Name> (134)
Benazepril hydrochloride

>  <Catalog Number> (134)
S1284

>  <Synonyms> (134)
Lotensin

>  <Target> (134)
RAAS

>  <Form> (134)
Hydrochloride

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

>  <CAS Number> (134)
86541-74-4

$$$$
Celastrol.cdx
csChFnd80/10101811552D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (135)
199

>  <Formula> (135)
C29H38O4

>  <MolWeight> (135)
450.60962

>  <Item Name> (135)
Celastrol

>  <Catalog Number> (135)
S1290

>  <Synonyms> (135)
N/A

>  <Target> (135)
Proteasome

>  <Form> (135)
Free Base

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

>  <CAS Number> (135)
34157-83-0

$$$$
CETIRIZINE DI HCL.cdx
csChFnd80/10101811552D

 29 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (136)
200

>  <Formula> (136)
C21H27Cl3N2O3

>  <MolWeight> (136)
461.80968

>  <Item Name> (136)
Cetirizine Dihydrochloride

>  <Catalog Number> (136)
S1291

>  <Synonyms> (136)
Zyrtec, Reactine

>  <Target> (136)
Histamine Receptor

>  <Form> (136)
Dihydrochloride

>  <URL> (136)
http://www.selleckchem.com/products/Cetirizine-di-hcl.html

>  <CAS Number> (136)
83881-52-1

$$$$
Cilnidipine.cdx
csChFnd80/10101811552D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (137)
201

>  <Formula> (137)
C27H28N2O7

>  <MolWeight> (137)
492.52042

>  <Item Name> (137)
Cilnidipine

>  <Catalog Number> (137)
S1293

>  <Synonyms> (137)
FRC 8653 

>  <Target> (137)
Calcium Channel

>  <Form> (137)
Free Base

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

>  <CAS Number> (137)
132203-70-4

$$$$
Camptothecine.cdx
csChFnd80/10101811552D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (138)
202

>  <Formula> (138)
C20H16N2O4

>  <MolWeight> (138)
348.35204

>  <Item Name> (138)
Camptothecin

>  <Catalog Number> (138)
S1288

>  <Synonyms> (138)
N/A

>  <Target> (138)
Topoisomerase

>  <Form> (138)
Free Base

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

>  <CAS Number> (138)
7689-03-4

$$$$
Dapoxetine hydrochloride.cdx
csChFnd80/10101811552D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (139)
206

>  <Formula> (139)
C21H24ClNO

>  <MolWeight> (139)
341.87436

>  <Item Name> (139)
Dapoxetine hydrochloride (Priligy)

>  <Catalog Number> (139)
S1869

>  <Synonyms> (139)
Priligy, LY-210448 hydrochloride

>  <Target> (139)
5-HT Receptor

>  <Form> (139)
Hydrochloride

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

>  <CAS Number> (139)
129938-20-1

$$$$
Anagrelide hydrochloride.cdx
csChFnd80/10101811552D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (140)
207

>  <Formula> (140)
C10H8Cl3N3O

>  <MolWeight> (140)
292.54902

>  <Item Name> (140)
Anagrelide hydrochloride 

>  <Catalog Number> (140)
S3172

>  <Synonyms> (140)
N/A

>  <Target> (140)
PDE

>  <Form> (140)
Hydrochloride 

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

>  <CAS Number> (140)
58579-51-4

$$$$
Felodipine.cdx
csChFnd80/10101811552D

 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
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    6.0496    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> (141)
209

>  <Formula> (141)
C18H19Cl2NO4

>  <MolWeight> (141)
384.25376

>  <Item Name> (141)
Felodipine (Plendil)

>  <Catalog Number> (141)
S1885

>  <Synonyms> (141)
Renedil, Feloday 

>  <Target> (141)
NULL

>  <Form> (141)
Free Base

>  <URL> (141)
http://www.selleckchem.com/products/Felodipine(Plendil).html

>  <CAS Number> (141)
72509-76-3

$$$$
D-glutamine.cdx
csChFnd80/10101811552D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (142)
215

>  <Formula> (142)
C5H10N2O3

>  <MolWeight> (142)
146.1445

>  <Item Name> (142)
D-glutamine

>  <Catalog Number> (142)
S1893

>  <Synonyms> (142)
N/A

>  <Target> (142)
GluR

>  <Form> (142)
Free Base

>  <URL> (142)
http://www.selleckchem.com/products/D-glutamine.html

>  <CAS Number> (142)
5959-95-5

$$$$
Flutamide .cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (143)
225

>  <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
csChFnd80/10101811552D

 31 32  0  0  0  0  0  0  0  0999 V2000
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   12.7733    5.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3569    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9816    5.1330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.1940    5.8330    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.7733    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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 18 10  1  0  0  0  0
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  8 20  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)
226

>  <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

$$$$
Irsogladine.cdx
csChFnd80/10101811552D

 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
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    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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 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> (145)
232

>  <Formula> (145)
C9H7Cl2N5

>  <MolWeight> (145)
256.09138

>  <Item Name> (145)
Irsogladine

>  <Catalog Number> (145)
S1929

>  <Synonyms> (145)
N/A

>  <Target> (145)
AChR,PDE

>  <Form> (145)
Free Base

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

>  <CAS Number> (145)
57381-26-7

$$$$
Medetomidine hcl.cdx
csChFnd80/10101811552D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.9215    4.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4303    3.6756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1318    1.5236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0258    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7271    4.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6952    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6204    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
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 10  1  1  0  0  0  0
  2  5  1  0  0  0  0
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  8  2  2  0  0  0  0
  7  3  2  0  0  0  0
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 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
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 15  9  1  0  0  0  0
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 13 10  2  0  0  0  0
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M  END
>  <Mol_ID> (146)
235

>  <Formula> (146)
C13H17ClN2

>  <MolWeight> (146)
236.74048

>  <Item Name> (146)
Medetomidine HCl

>  <Catalog Number> (146)
S3060

>  <Synonyms> (146)
N/A

>  <Target> (146)
Adrenergic Receptor

>  <Form> (146)
HCl

>  <URL> (146)
http://www.selleckchem.com/products/medetomidine-hcl.html

>  <CAS Number> (146)
86347-15-1

$$$$
Danofloxacin mesylate.cdx
csChFnd80/10101811552D

 33 36  0  0  0  0  0  0  0  0999 V2000
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    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
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   10.1183    2.0854    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 11  1  0  0  0  0
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 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
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 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> (147)
236

>  <Formula> (147)
C20H24FN3O6S

>  <MolWeight> (147)
453.4844632

>  <Item Name> (147)
Danofloxacin Mesylate

>  <Catalog Number> (147)
S3058

>  <Synonyms> (147)
N/A

>  <Target> (147)
Antifection

>  <Form> (147)
Mesylate

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

>  <CAS Number> (147)
119478-55-6

$$$$
Cilostazol.cdx
csChFnd80/10101811552D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (148)
238

>  <Formula> (148)
C20H27N5O2

>  <MolWeight> (148)
369.46068

>  <Item Name> (148)
Cilostazol

>  <Catalog Number> (148)
S1294

>  <Synonyms> (148)
Pletal

>  <Target> (148)
PDE

>  <Form> (148)
Free Base

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

>  <CAS Number> (148)
73963-72-1

$$$$
Megestrol Acetate.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (149)
244

>  <Formula> (149)
C24H32O4

>  <MolWeight> (149)
384.50848

>  <Item Name> (149)
Megestrol Acetate

>  <Catalog Number> (149)
S1304

>  <Synonyms> (149)
Megace, Megace ES

>  <Target> (149)
Androgen Receptor

>  <Form> (149)
Free Base

>  <URL> (149)
http://www.selleckchem.com/products/Megestrol-Acetate.html

>  <CAS Number> (149)
595-33-5

$$$$
Pamidronate Disodium.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (150)
246

>  <Formula> (150)
C3H9NNa2O7P2

>  <MolWeight> (150)
279.033122

>  <Item Name> (150)
Pamidronate Disodium

>  <Catalog Number> (150)
S1311

>  <Synonyms> (150)
Aredia

>  <Target> (150)
Others

>  <Form> (150)
Disodium salt

>  <URL> (150)
http://www.selleckchem.com/products/Pamidronate-Disodium.html

>  <CAS Number> (150)
57248-88-1

$$$$
Alizarin.cdx
csChFnd80/10101811552D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (151)
250

>  <Formula> (151)
C14H8O4

>  <MolWeight> (151)
240.21092

>  <Item Name> (151)
Alizarin

>  <Catalog Number> (151)
S2526

>  <Synonyms> (151)
Anthraquinonic

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

>  <Form> (151)
Free Base

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

>  <CAS Number> (151)
72-48-0

$$$$
Costunolide.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (152)
252

>  <Formula> (152)
C15H20O2

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232.3181

>  <Item Name> (152)
Costunolide

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S1319

>  <Synonyms> (152)
N/A

>  <Target> (152)
Telomerase

>  <Form> (152)
Free Base

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

>  <CAS Number> (152)
553-21-9

$$$$
Dexamethasone.cdx
csChFnd80/10101811552D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (153)
253

>  <Formula> (153)
C22H29FO5

>  <MolWeight> (153)
392.4610632

>  <Item Name> (153)
Dexamethasone

>  <Catalog Number> (153)
S1322

>  <Synonyms> (153)
Decadron

>  <Target> (153)
IL Receptor

>  <Form> (153)
Free Base

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

>  <CAS Number> (153)
50-02-2

$$$$
Doxazosin mesylate.cdx
csChFnd80/10101811552D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 19 22  1  0  0  0  0
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M  END
>  <Mol_ID> (154)
254

>  <Formula> (154)
C24H29N5O8S

>  <MolWeight> (154)
547.58076

>  <Item Name> (154)
Doxazosin mesylate

>  <Catalog Number> (154)
S1324

>  <Synonyms> (154)
Cardura, Carduran 

>  <Target> (154)
Adrenergic Receptor

>  <Form> (154)
Mesylate

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

>  <CAS Number> (154)
77883-43-3

$$$$
Ellagic acid.cdx
csChFnd80/10101811552D

 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
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  1  2  1  0  0  0  0
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 10  5  2  0  0  0  0
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 13  6  2  0  0  0  0
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M  END
>  <Mol_ID> (155)
255

>  <Formula> (155)
C14H6O8

>  <MolWeight> (155)
302.19264

>  <Item Name> (155)
Ellagic acid

>  <Catalog Number> (155)
S1327

>  <Synonyms> (155)
N/A

>  <Target> (155)
Topoisomerases

>  <Form> (155)
Free Base

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

>  <CAS Number> (155)
476-66-4

$$$$
Etodolac.cdx
csChFnd80/10101811552D

 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
    3.4927    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
 13 16  1  1  0  0  0
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 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (156)
256

>  <Formula> (156)
C17H21NO3

>  <MolWeight> (156)
287.35354

>  <Item Name> (156)
Etodolac (Lodine)

>  <Catalog Number> (156)
S1328

>  <Synonyms> (156)
Lodine, Lodine XL

>  <Target> (156)
COX
COX

>  <Form> (156)
Free Base

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

>  <CAS Number> (156)
41340-25-4

$$$$
Etomidate.cdx
csChFnd80/10101811552D

 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
    5.0975    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4898    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4032    1.2632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1287    1.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3861    3.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1647    3.6032    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (157)
257

>  <Formula> (157)
C14H16N2O2

>  <MolWeight> (157)
244.28904

>  <Item Name> (157)
Etomidate

>  <Catalog Number> (157)
S1329

>  <Synonyms> (157)
Amidate

>  <Target> (157)
GABA Receptor

>  <Form> (157)
Free Base

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

>  <CAS Number> (157)
33125-97-2

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/10101811552D

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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  8  9  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 10 15  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (158)
260

>  <Formula> (158)
C17H19ClF3NO

>  <MolWeight> (158)
345.7870696

>  <Item Name> (158)
Fluoxetine  HCl

>  <Catalog Number> (158)
S1333

>  <Synonyms> (158)
Prozac, Sarafem

>  <Target> (158)
5-HT Receptor

>  <Form> (158)
Hydrochloride

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

>  <CAS Number> (158)
56296-78-7

$$$$
Gabapentin hcl.cdx
csChFnd80/10101811552D

 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
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    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
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  1  2  1  0  0  0  0
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  5  6  1  0  0  0  0
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  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> (159)
262

>  <Formula> (159)
C9H18ClNO2

>  <MolWeight> (159)
207.69772

>  <Item Name> (159)
Gabapentin Hydrochloride

>  <Catalog Number> (159)
S1338

>  <Synonyms> (159)
Gabarone, Neurontin

>  <Target> (159)
GABA Receptor

>  <Form> (159)
Hydrochloride

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

>  <CAS Number> (159)
60142-95-2

$$$$
Galanthamine hydrobromide.cdx
csChFnd80/10101811552D

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    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
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  1  2  2  0  0  0  0
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  1  7  1  0  0  0  0
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  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> (160)
263

>  <Formula> (160)
C17H22BrNO3

>  <MolWeight> (160)
368.26548

>  <Item Name> (160)
Galanthamine hydrobromide

>  <Catalog Number> (160)
S1339

>  <Synonyms> (160)
Reminyl

>  <Target> (160)
AChR
mAChRs

>  <Form> (160)
Hydrobromide

>  <URL> (160)
http://www.selleckchem.com/products/Galanthamine-hydrobromide.html

>  <CAS Number> (160)
1953-04-4

$$$$
Genistein.cdx
csChFnd80/10101811552D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 12  1  0  0  0  0
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  1 19  1  0  0  0  0
  5 20  1  0  0  0  0
M  END
>  <Mol_ID> (161)
265

>  <Formula> (161)
C15H10O5

>  <MolWeight> (161)
270.2369

>  <Item Name> (161)
Genistein

>  <Catalog Number> (161)
S1342

>  <Synonyms> (161)
N/A

>  <Target> (161)
Topoisomerase
EGFR

>  <Form> (161)
Free Base

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

>  <CAS Number> (161)
446-72-0

$$$$
Glimepiride.cdx
csChFnd80/10101811552D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (162)
267

>  <Formula> (162)
C24H34N4O5S

>  <MolWeight> (162)
490.61556

>  <Item Name> (162)
Glimepiride

>  <Catalog Number> (162)
S1344

>  <Synonyms> (162)
Amaryl, Glista OD

>  <Target> (162)
DPP-4

>  <Form> (162)
Free Base

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

>  <CAS Number> (162)
93479-97-1

$$$$
TG100-115.cdx
csChFnd80/10101811552D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (163)
269

>  <Formula> (163)
C18H14N6O2

>  <MolWeight> (163)
346.34276

>  <Item Name> (163)
TG100-115

>  <Catalog Number> (163)
S1352

>  <Synonyms> (163)
N/A

>  <Target> (163)
PI3K

>  <Form> (163)
Free Base

>  <URL> (163)
http://www.selleckchem.com/products/TG100-115.html

>  <CAS Number> (163)
677297-51-7

$$$$
Ketoconazole.cdx
csChFnd80/10101811552D

 36 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (164)
270

>  <Formula> (164)
C26H28Cl2N4O4

>  <MolWeight> (164)
531.43092

>  <Item Name> (164)
Ketoconazole

>  <Catalog Number> (164)
S1353

>  <Synonyms> (164)
Nizoral, Extina, Xolegel, Kuric

>  <Target> (164)
P450

>  <Form> (164)
Free Base

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

>  <CAS Number> (164)
65277-42-1

$$$$
Lansoprazole.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (165)
271

>  <Formula> (165)
C16H14F3N3O2S

>  <MolWeight> (165)
369.3614696

>  <Item Name> (165)
Lansoprazole

>  <Catalog Number> (165)
S1354

>  <Synonyms> (165)
Prevacid, Prevacid NapraPAC, Prevacid SoluTab

>  <Target> (165)
Proton Pump

>  <Form> (165)
Free Base

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

>  <CAS Number> (165)
103577-45-3

$$$$
Loratadine(Alavert, Claritin).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (166)
273

>  <Formula> (166)
C22H23ClN2O2

>  <MolWeight> (166)
382.88322

>  <Item Name> (166)
Loratadine

>  <Catalog Number> (166)
S1358

>  <Synonyms> (166)
Alavert, Claritin

>  <Target> (166)
Histamine Receptor

>  <Form> (166)
Free Base

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

>  <CAS Number> (166)
79794-75-5

$$$$
mgcd265.cdx
csChFnd80/10101811552D

 36 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (167)
275

>  <Formula> (167)
C26H20FN5O2S2

>  <MolWeight> (167)
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>  <Item Name> (167)
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>  <Catalog Number> (167)
S1361

>  <Synonyms> (167)
N/A

>  <Target> (167)
c-Met, VEGFR, Tie-2 

>  <Form> (167)
Free Base

>  <URL> (167)
http://www.selleckchem.com/products/MGCD-265.html

>  <CAS Number> (167)
875337-44-3

$$$$
ON-01910.cdx
csChFnd80/10101811552D

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Rigosertib (ON-01910)

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S1362

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ON-01910

>  <Target> (168)
PLK

>  <Form> (168)
Sodium Salt

>  <URL> (168)
http://www.selleckchem.com/products/ON-01910.html

>  <CAS Number> (168)
1225497-78-8

$$$$
KI8751.cdx
csChFnd80/10101811552D

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Ki8751

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S1363

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N/A

>  <Target> (169)
VEGFR, c-Kit, PDGFR

>  <Form> (169)
Free Base

>  <URL> (169)
http://www.selleckchem.com/products/Ki8751.html

>  <CAS Number> (169)
228559-41-9

$$$$
BMS707035.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (170)
280

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C17H19FN4O5S

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BMS-707035

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S1366

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N/A

>  <Target> (170)
Integrase

>  <Form> (170)
Free Base

>  <URL> (170)
http://www.selleckchem.com/products/BMS-707035.html

>  <CAS Number> (170)
729607-74-3

$$$$
Amonafide.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (171)
281

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C16H17N3O2

>  <MolWeight> (171)
283.32508

>  <Item Name> (171)
Amonafide

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S1367

>  <Synonyms> (171)
AS1413, Xanafide, Quinamed

>  <Target> (171)
Topoisomerase

>  <Form> (171)
Free Base

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

>  <CAS Number> (171)
69408-81-7

$$$$
Dorzolamide HCL.cdx
csChFnd80/10101811552D

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284

>  <Formula> (172)
C10H17ClN2O4S3

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>  <Item Name> (172)
Dorzolamide HCL

>  <Catalog Number> (172)
S1375

>  <Synonyms> (172)
Trusopt, Cosopt

>  <Target> (172)
Carbonic Anhydrase

>  <Form> (172)
Hydrochloride

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

>  <CAS Number> (172)
130693-82-2

$$$$
Gestodene.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (173)
285

>  <Formula> (173)
C21H26O2

>  <MolWeight> (173)
310.42994

>  <Item Name> (173)
Gestodene

>  <Catalog Number> (173)
S1376

>  <Synonyms> (173)
N/A

>  <Target> (173)
Estrogen/progestogen Receptor

>  <Form> (173)
Free Base

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

>  <CAS Number> (173)
60282-87-3

$$$$
Drospirenone.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (174)
286

>  <Formula> (174)
C24H30O3

>  <MolWeight> (174)
366.4932

>  <Item Name> (174)
Drospirenone

>  <Catalog Number> (174)
S1377

>  <Synonyms> (174)
Angeliq

>  <Target> (174)
Estrogen/progestogen Receptor

>  <Form> (174)
Free Base

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

>  <CAS Number> (174)
67392-87-4

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/10101811552D

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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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M  END
>  <Mol_ID> (175)
287

>  <Formula> (175)
C37H48N4O5

>  <MolWeight> (175)
628.80082

>  <Item Name> (175)
Lopinavir (ABT-378)

>  <Catalog Number> (175)
S1380

>  <Synonyms> (175)
ABT-378

>  <Target> (175)
HIV Protease

>  <Form> (175)
Free Base

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

>  <CAS Number> (175)
192725-17-0

$$$$
Mianserin hydrochloride.cdx
csChFnd80/10101811552D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (176)
289

>  <Formula> (176)
C18H21ClN2

>  <MolWeight> (176)
300.82574

>  <Item Name> (176)
Mianserin HCl

>  <Catalog Number> (176)
S1382

>  <Synonyms> (176)
ORG GB-94 HCl

>  <Target> (176)
Histamine Receptor(HT receptor)

>  <Form> (176)
Hydrochloride

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

>  <CAS Number> (176)
21535-47-7

$$$$
Mizoribine.cdx
csChFnd80/10101811552D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (177)
291

>  <Formula> (177)
C9H13N3O6

>  <MolWeight> (177)
259.21602

>  <Item Name> (177)
Mizoribine (Bredinin)

>  <Catalog Number> (177)
S1384

>  <Synonyms> (177)
HE 69

>  <Target> (177)
DNA/RNA Synthesis

>  <Form> (177)
Free Base

>  <URL> (177)
http://www.selleckchem.com/products/Mizoribine.html

>  <CAS Number> (177)
50924-49-7

$$$$
Mosapride citrate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (178)
292

>  <Formula> (178)
C27H33ClFN3O10

>  <MolWeight> (178)
614.0164232

>  <Item Name> (178)
Mosapride citrate

>  <Catalog Number> (178)
S1385

>  <Synonyms> (178)
TAK-370, AS-4370, Gasmot

>  <Target> (178)
5-HT Receptor

>  <Form> (178)
Citrate

>  <URL> (178)
http://www.selleckchem.com/products/Mosapride-citrate.html

>  <CAS Number> (178)
112885-42-4

$$$$
Nafamostat mesylate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (179)
293

>  <Formula> (179)
C21H25N5O8S2

>  <MolWeight> (179)
539.5819

>  <Item Name> (179)
Nafamostat mesylate

>  <Catalog Number> (179)
S1386

>  <Synonyms> (179)
Futhan, FUT-175

>  <Target> (179)
Proteasome

>  <Form> (179)
Dimesylate

>  <URL> (179)
http://www.selleckchem.com/products/Nafamostat-mesylate.html

>  <CAS Number> (179)
82956-11-4

$$$$
Omeprazole.cdx
csChFnd80/10101811552D

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  2 10  1  0  0  0  0
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  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
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M  END
>  <Mol_ID> (180)
295

>  <Formula> (180)
C17H19N3O3S

>  <MolWeight> (180)
345.41606

>  <Item Name> (180)
Omeprazole (Prilosec)

>  <Catalog Number> (180)
S1389

>  <Synonyms> (180)
Losec, Omesec, Prilosec, Zegerid

>  <Target> (180)
Proton Pump, ATPase

>  <Form> (180)
Free Base

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

>  <CAS Number> (180)
73590-58-6

$$$$
Pelitinib.cdx
csChFnd80/10101811552D

 33 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (181)
297

>  <Formula> (181)
C24H23ClFN5O2

>  <MolWeight> (181)
467.9231232

>  <Item Name> (181)
Pelitinib (EKB-569)

>  <Catalog Number> (181)
S1392

>  <Synonyms> (181)
WAY-EKB 569

>  <Target> (181)
EGFR

>  <Form> (181)
Free Base

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

>  <CAS Number> (181)
257933-82-7

$$$$
resveratrol.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (182)
299

>  <Formula> (182)
C14H12O3

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228.24328

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Resveratrol

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S1396

>  <Synonyms> (182)
N/A

>  <Target> (182)
Sirtuin

>  <Form> (182)
Free Base

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

>  <CAS Number> (182)
501-36-0

$$$$
Rocuronium bromide.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (183)
300

>  <Formula> (183)
C32H53BrN2O4

>  <MolWeight> (183)
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>  <Item Name> (183)
Rocuronium bromide

>  <Catalog Number> (183)
S1397

>  <Synonyms> (183)
Zemuron, Esmeron

>  <Target> (183)
AChR

>  <Form> (183)
Bromide

>  <URL> (183)
http://www.selleckchem.com/products/Rocuronium-bromide.html

>  <CAS Number> (183)
119302-91-9

$$$$
Tenofovir(PMPA).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (184)
302

>  <Formula> (184)
C9H14N5O4P

>  <MolWeight> (184)
287.212321

>  <Item Name> (184)
Tenofovir (Viread)

>  <Catalog Number> (184)
S1401

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Viread

>  <Target> (184)
Reverse Transcriptase

>  <Form> (184)
Free Base

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

>  <CAS Number> (184)
147127-20-6

$$$$
S1130.cdx
csChFnd80/10101811552D

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 10  2  1  0  0  0  0
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 18 19  2  0  0  0  0
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M  END
>  <Mol_ID> (185)
303

>  <Formula> (185)
C20H19BrN4O3

>  <MolWeight> (185)
443.29386

>  <Item Name> (185)
YM155 (Sepantronium Bromide)

>  <Catalog Number> (185)
S1130

>  <Synonyms> (185)
N/A

>  <Target> (185)
Survivin

>  <Form> (185)
Bromide

>  <URL> (185)
http://www.selleckchem.com/products/YM155.html

>  <CAS Number> (185)
781661-94-7

$$$$
Trilostane.cdx
csChFnd80/10101811552D

 28 32  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 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  0  0  0  0
 18 19  3  0  0  0  0
  2 20  1  0  0  0  0
  3 21  1  1  0  0  0
  3 22  1  0  0  0  0
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 12 25  1  1  0  0  0
 17 26  1  1  0  0  0
 11 27  1  6  0  0  0
 10 28  1  6  0  0  0
M  END
>  <Mol_ID> (186)
305

>  <Formula> (186)
C20H27NO3

>  <MolWeight> (186)
329.43328

>  <Item Name> (186)
Trilostane

>  <Catalog Number> (186)
S1404

>  <Synonyms> (186)
Vetoryl

>  <Target> (186)
Dehydrogenase

>  <Form> (186)
Free Base

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

>  <CAS Number> (186)
13647-35-3

$$$$
Clopidogrel bisulfate.cdx
csChFnd80/10101811552D

 26 27  0  0  0  0  0  0  0  0999 V2000
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   10.4392    4.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2392    4.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8392    2.7665    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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  5  7  1  0  0  0  0
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  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 13  1  0  0  0  0
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M  END
>  <Mol_ID> (187)
312

>  <Formula> (187)
C16H18ClNO6S2

>  <MolWeight> (187)
419.90022

>  <Item Name> (187)
Clopidogrel (Plavix)

>  <Catalog Number> (187)
S1415

>  <Synonyms> (187)
Iscover 

>  <Target> (187)
P2 Receptor

>  <Form> (187)
Sulfate

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

>  <CAS Number> (187)
120202-66-6

$$$$
Droxinostat.cdx
csChFnd80/10101811552D

 16 16  0  0  0  0  0  0  0  0999 V2000
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  2  7  1  0  0  0  0
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 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (188)
314

>  <Formula> (188)
C11H14ClNO3

>  <MolWeight> (188)
243.68676

>  <Item Name> (188)
Droxinostat

>  <Catalog Number> (188)
S1422

>  <Synonyms> (188)
N/A

>  <Target> (188)
HDAC 

>  <Form> (188)
Free Base

>  <URL> (188)
http://www.selleckchem.com/products/Droxinostat.html

>  <CAS Number> (188)
99873-43-5

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/10101811552D

 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
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    2.9832    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.5072    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7196    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0878    3.4964    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
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  3  9  1  0  0  0  0
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 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 25 20  1  0  0  0  0
 22 26  1  0  0  0  0
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 29 23  1  0  0  0  0
 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (189)
315

>  <Formula> (189)
C24H35Cl2N3O4

>  <MolWeight> (189)
500.4584

>  <Item Name> (189)
Ranolazine dihydrochloride

>  <Catalog Number> (189)
S1425

>  <Synonyms> (189)
RS 43285-193, RS-43285, Ranexa, renolazine 

>  <Target> (189)
Calcium Channel

>  <Form> (189)
Dihydrochloride

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

>  <CAS Number> (189)
95635-56-6

$$$$
Repaglinide.cdx
csChFnd80/10101811552D

 33 35  0  0  0  0  0  0  0  0999 V2000
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    8.4660    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (190)
316

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C27H36N2O4

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452.58574

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Repaglinide

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S1426

>  <Synonyms> (190)
Prandin, GlucoNorm, NovoNorm

>  <Target> (190)
Potassium Channel

>  <Form> (190)
Free Base

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

>  <CAS Number> (190)
135062-02-1

$$$$
Rolipram.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (191)
318

>  <Formula> (191)
C16H21NO3

>  <MolWeight> (191)
275.34284

>  <Item Name> (191)
Rolipram

>  <Catalog Number> (191)
S1430

>  <Synonyms> (191)
N/A

>  <Target> (191)
PDE

>  <Form> (191)
Free Base

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

>  <CAS Number> (191)
61413-54-5

$$$$
A 922500.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (192)
319

>  <Formula> (192)
C26H24N2O4

>  <MolWeight> (192)
428.47976

>  <Item Name> (192)
A 922500

>  <Catalog Number> (192)
S2674

>  <Synonyms> (192)
N/A

>  <Target> (192)
Diacylglycerol Acyltransferase 1

>  <Form> (192)
Free Base

>  <URL> (192)
http://www.selleckchem.com/products/a-922500.html

>  <CAS Number> (192)
959122-11-3

$$$$

csChFnd80/10101811552D

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>  <Mol_ID> (193)
321

>  <Formula> (193)
C18H27N3O6S

>  <MolWeight> (193)
413.48848

>  <Item Name> (193)
Sumatriptan succinate

>  <Catalog Number> (193)
S1432

>  <Synonyms> (193)
Imigran, mitrex, Imitrex, Suminat, Sumitrex

>  <Target> (193)
5-HT Receptor

>  <Form> (193)
Succinate

>  <URL> (193)
http://www.selleckchem.com/products/Sumatriptan-succinate.html

>  <CAS Number> (193)
103628-48-4

$$$$
Tianeptine sodium salt.cdx
csChFnd80/10101811552D

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 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> (194)
322

>  <Formula> (194)
C21H24ClN2NaO4S

>  <MolWeight> (194)
458.93403

>  <Item Name> (194)
Tianeptine sodium

>  <Catalog Number> (194)
S1436

>  <Synonyms> (194)
Stablon, Coaxil, Tatinol

>  <Target> (194)
5-HT Receptor

>  <Form> (194)
Sodium Salt

>  <URL> (194)
http://www.selleckchem.com/products/Tianeptine-sodium-salt.html

>  <CAS Number> (194)
30123-17-2

$$$$
Topiramate.cdx
csChFnd80/10101811552D

 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> (195)
323

>  <Formula> (195)
C12H21NO8S

>  <MolWeight> (195)
339.36204

>  <Item Name> (195)
Topiramate

>  <Catalog Number> (195)
S1438

>  <Synonyms> (195)
Topamax

>  <Target> (195)
Carbonic Anhydrase

>  <Form> (195)
Free Base

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

>  <CAS Number> (195)
97240-79-4

$$$$
Varenicline tartrate.cdx
csChFnd80/10101811552D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.9597    2.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    3.1637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7515    3.1612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9597    1.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3804    2.4661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.5886    3.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7968    2.4661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    4.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3804    1.0709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5886    4.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875    1.5303    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3846    1.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9829    2.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2659    2.8430    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6875    4.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5515    2.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9952    1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3055    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1859    3.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7906    3.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1923    2.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9894    0.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9935    4.4714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    4.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970    1.9400    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
  2  8  1  6  0  0  0
  5  9  1  6  0  0  0
  6 10  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
 11 15  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 13 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 12  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (196)
325

>  <Formula> (196)
C17H19N3O6

>  <MolWeight> (196)
361.34926

>  <Item Name> (196)
Varenicline tartrate

>  <Catalog Number> (196)
S1440

>  <Synonyms> (196)
Chantix, Champix

>  <Target> (196)
AChR

>  <Form> (196)
Tartrate

>  <URL> (196)
http://www.selleckchem.com/products/Varenicline-tartrate.html

>  <CAS Number> (196)
375815-87-5

$$$$
Venlafaxine hydrochloride.cdx
csChFnd80/10101811552D

 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> (197)
326

>  <Formula> (197)
C17H28ClNO2

>  <MolWeight> (197)
313.86272

>  <Item Name> (197)
Venlafaxine HCl

>  <Catalog Number> (197)
S1441

>  <Synonyms> (197)
Effexor, Efexor 

>  <Target> (197)
5-HT Receptor

>  <Form> (197)
Hydrochloride

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

>  <CAS Number> (197)
99300-78-4

$$$$
Voriconazole.cdx
csChFnd80/10101811552D

 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> (198)
327

>  <Formula> (198)
C16H14F3N5O

>  <MolWeight> (198)
349.3104696

>  <Item Name> (198)
Voriconazole

>  <Catalog Number> (198)
S1442

>  <Synonyms> (198)
Vfend

>  <Target> (198)
P450

>  <Form> (198)
Free Base

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

>  <CAS Number> (198)
137234-62-9

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/10101811552D

 42 46  0  0  0  0  0  0  0  0999 V2000
   10.8867    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0951    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
   13.3115    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    6.2903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.7854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 34  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (199)
333

>  <Formula> (199)
C31H31ClFN7O2

>  <MolWeight> (199)
588.0749432

>  <Item Name> (199)
Aurora A Inhibitor I

>  <Catalog Number> (199)
S1451

>  <Synonyms> (199)
N/A

>  <Target> (199)
Aurora Kinase

>  <Form> (199)
Free Base

>  <URL> (199)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

>  <CAS Number> (199)
1158838-45-9

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/10101811552D

 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
    6.0580    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   11.8757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    9.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.6830    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
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  3  7  1  0  0  0  0
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (200)
334

>  <Formula> (200)
C30H33ClN4O2

>  <MolWeight> (200)
517.06162

>  <Item Name> (200)
Ispinesib (SB-715992)

>  <Catalog Number> (200)
S1452

>  <Synonyms> (200)
N/A 

>  <Target> (200)
Kinesin

>  <Form> (200)
Free Base

>  <URL> (200)
http://www.selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

>  <CAS Number> (200)
336113-53-2

$$$$
Tipifarnib.cdx
csChFnd80/10101811552D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    3.4240    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (201)
335

>  <Formula> (201)
C27H22Cl2N4O

>  <MolWeight> (201)
489.39578

>  <Item Name> (201)
Tipifarnib (Zarnestra)

>  <Catalog Number> (201)
S1453

>  <Synonyms> (201)
R115777

>  <Target> (201)
Farnesyltransferase, Ras

>  <Form> (201)
Free Base

>  <URL> (201)
http://www.selleckchem.com/products/Tipifarnib(R115777).html

>  <CAS Number> (201)
192185-72-1

$$$$
PHA-6806320.cdx
csChFnd80/10101811552D

 37 41  0  0  0  0  0  0  0  0999 V2000
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   13.2050    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5481    0.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4944    2.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  7  1  0  0  0  0
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 12  7  1  0  0  0  0
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 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (202)
336

>  <Formula> (202)
C28H35N7O2

>  <MolWeight> (202)
501.6232

>  <Item Name> (202)
PHA-680632

>  <Catalog Number> (202)
S1454

>  <Synonyms> (202)
N/A

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ROCK

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1226056-71-8

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>  <MolWeight> (207)
437.8923032

>  <Item Name> (207)
Moxifloxacin hydrochloride

>  <Catalog Number> (207)
S1465

>  <Synonyms> (207)
Avelox, Avalox

>  <Target> (207)
Topoisomerase

>  <Form> (207)
Hydrochloride

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

>  <CAS Number> (207)
186826-86-8

$$$$
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csChFnd80/10101811552D

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350

>  <Formula> (208)
C18H18N2O3

>  <MolWeight> (208)
310.34712

>  <Item Name> (208)
Orantinib (TSU-68, SU6668)

>  <Catalog Number> (208)
S1470

>  <Synonyms> (208)
NSC 702827

>  <Target> (208)
VEGFR, PDGFR , FGFR 

>  <Form> (208)
Free Base

>  <URL> (208)
http://www.selleckchem.com/products/TSU-68(SU6668).html

>  <CAS Number> (208)
252916-29-3

$$$$
FCE28073.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (209)
351

>  <Formula> (209)
C18H23FN2O5S

>  <MolWeight> (209)
398.4490232

>  <Item Name> (209)
Safinamide Mesylate (FCE28073)

>  <Catalog Number> (209)
S1472

>  <Synonyms> (209)
FCE-28073(R-isomer), PNU-151774E, NW-1015 

>  <Target> (209)
MAO

>  <Form> (209)
Mesylate

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

>  <CAS Number> (209)
202825-46-5

$$$$
GSK429286A.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (210)
352

>  <Formula> (210)
C21H16F4N4O2

>  <MolWeight> (210)
432.3709528

>  <Item Name> (210)
GSK429286A

>  <Catalog Number> (210)
S1474

>  <Synonyms> (210)
N/A

>  <Target> (210)
ROCK 

>  <Form> (210)
Free Base

>  <URL> (210)
http://www.selleckchem.com/products/GSK429286A.html

>  <CAS Number> (210)
864082-47-3

$$$$
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csChFnd80/10101811552D

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>  <Mol_ID> (211)
353

>  <Formula> (211)
C15H15FIN3O3

>  <MolWeight> (211)
431.2007732

>  <Item Name> (211)
Pimasertib (AS-703026)

>  <Catalog Number> (211)
S1475

>  <Synonyms> (211)
MSC1936369B, SAR 245509

>  <Target> (211)
MEK 

>  <Form> (211)
Free Base

>  <URL> (211)
http://www.selleckchem.com/products/AS703026.html

>  <CAS Number> (211)
1236699-92-5

$$$$
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csChFnd80/10101811552D

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TGF-beta/Smad

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HCV Protease

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1026785-55-6

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167465-36-3

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>  <Mol_ID> (220)
364

>  <Formula> (220)
C17H26ClN3O2S

>  <MolWeight> (220)
371.92524

>  <Item Name> (220)
Naratriptan HCl

>  <Catalog Number> (220)
S1488 

>  <Synonyms> (220)
Amerge, Naramig

>  <Target> (220)
5-HT Receptor

>  <Form> (220)
Hydrochloride

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

>  <CAS Number> (220)
143388-64-1

$$$$

csChFnd80/10101811552D

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>  <Mol_ID> (221)
365

>  <Formula> (221)
C14H16ClN3O4S2

>  <MolWeight> (221)
389.87754

>  <Item Name> (221)
PIK-93

>  <Catalog Number> (221)
S1489

>  <Synonyms> (221)
N/A

>  <Target> (221)
PI3K, VEGFR

>  <Form> (221)
Free Base

>  <URL> (221)
http://www.selleckchem.com/products/PIK-93.html

>  <CAS Number> (221)
593960-11-3

$$$$
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csChFnd80/10101811552D

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>  <Mol_ID> (222)
366

>  <Formula> (222)
C29H27F3N6O

>  <MolWeight> (222)
532.5594896

>  <Item Name> (222)
Ponatinib (AP24534)

>  <Catalog Number> (222)
S1490

>  <Synonyms> (222)
N/A 

>  <Target> (222)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (222)
Free Base

>  <URL> (222)
http://www.selleckchem.com/products/AP24534.html

>  <CAS Number> (222)
943319-70-8

$$$$
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csChFnd80/10101811552D

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>  <Mol_ID> (223)
368

>  <Formula> (223)
C26H37FN6O6S2

>  <MolWeight> (223)
612.7369832

>  <Item Name> (223)
LY2228820

>  <Catalog Number> (223)
S1494

>  <Synonyms> (223)
N/A

>  <Target> (223)
p38 MAPK

>  <Form> (223)
Dimesylate

>  <URL> (223)
http://www.selleckchem.com/products/LY2228820.html

>  <CAS Number> (223)
862507-23-1

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/10101811552D

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   14.2535    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4617    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6699    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6699    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8824    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0948    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
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  5  6  2  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  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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 10 16  1  0  0  0  0
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 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
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M  END
>  <Mol_ID> (224)
371

>  <Formula> (224)
C23H31NO7

>  <MolWeight> (224)
433.49474

>  <Item Name> (224)
Mycophenolate mofetil (CellCept)

>  <Catalog Number> (224)
S1501

>  <Synonyms> (224)
CellCept, RS 61443, TM-MMF

>  <Target> (224)
Dehydrogenase

>  <Form> (224)
Free Base

>  <URL> (224)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

>  <CAS Number> (224)
128794-94-5

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/10101811552D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 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 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7875    2.7951    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  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
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 13  5  1  0  0  0  0
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 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (225)
372

>  <Formula> (225)
C10H14N4O4

>  <MolWeight> (225)
254.24256

>  <Item Name> (225)
Dyphylline (Dilor)

>  <Catalog Number> (225)
S1504

>  <Synonyms> (225)
Neothylline, Lufyllin, diprophylline

>  <Target> (225)
PDE

>  <Form> (225)
Free Base

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

>  <CAS Number> (225)
479-18-5

$$$$
ACEON (perindopril erbumine).cdx
csChFnd80/10101811552D

 33 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.1944    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    1.4944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8371    4.2871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3062    5.1694    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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  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
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 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 19 24  1  6  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 17 27  1  1  0  0  0
 16 28  1  1  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (226)
374

>  <Formula> (226)
C23H43N3O5

>  <MolWeight> (226)
441.60462

>  <Item Name> (226)
Perindopril Erbumine (Aceon)

>  <Catalog Number> (226)
S1506

>  <Synonyms> (226)
Perindopril, Coversyl

>  <Target> (226)
RAAS

>  <Form> (226)
t-Butylamine

>  <URL> (226)
http://www.selleckchem.com/products/Perindopril-Erbumine(Aceon).html

>  <CAS Number> (226)
107133-36-8

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/10101811552D

 23 25  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
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 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  0  0  0  0  0  0  0  0  0  0
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    8.4828    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    6.2927    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
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 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  2  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 11 16  1  0  0  0  0
  1 17  1  0  0  0  0
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 18 19  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
>  <Mol_ID> (227)
376

>  <Formula> (227)
C16H18FN3O3

>  <MolWeight> (227)
319.3308232

>  <Item Name> (227)
Norfloxacin (Norxacin)

>  <Catalog Number> (227)
S1509

>  <Synonyms> (227)
Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin 

>  <Target> (227)
Others

>  <Form> (227)
Free Base

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

>  <CAS Number> (227)
70458-96-7

$$$$
CIALIS (tadalafil).cdx
csChFnd80/10101811552D

 30 35  0  0  0  0  0  0  0  0999 V2000
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    7.1026    1.2790    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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377

>  <Formula> (228)
C22H19N3O4

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389.40396

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Tadalafil (Cialis)

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S1512

>  <Synonyms> (228)
IC 351

>  <Target> (228)
PDE

>  <Form> (228)
Free Base

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

>  <CAS Number> (228)
171596-29-5

$$$$
SB 939.cdx
csChFnd80/10101811552D

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379

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S1515

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N/A 

>  <Target> (229)
HDAC

>  <Form> (229)
Free Base

>  <URL> (229)
http://www.selleckchem.com/products/SB939.html

>  <CAS Number> (229)
929016-96-6

$$$$
NEOPROFEN (ibuprofen lysine).cdx
csChFnd80/10101811552D

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381

>  <Formula> (230)
C19H32N2O4

>  <MolWeight> (230)
352.46838

>  <Item Name> (230)
Ibuprofen Lysine (NeoProfen)

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S1518

>  <Synonyms> (230)
NeoProfen

>  <Target> (230)
COX

>  <Form> (230)
Lysine

>  <URL> (230)
http://www.selleckchem.com/products/Ibuprofen-Lysine(Motrin).html

>  <CAS Number> (230)
57469-77-9

$$$$
P529.cdx
csChFnd80/10101811552D

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383

>  <Formula> (231)
C24H22O6

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>  <Item Name> (231)
Palomid 529

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P529

>  <Target> (231)
mTOR

>  <Form> (231)
Free Base

>  <URL> (231)
http://www.selleckchem.com/products/Palomid-529-P529.html

>  <CAS Number> (231)
914913-88-5

$$$$
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csChFnd80/10101811552D

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http://www.selleckchem.com/products/AZD7762.html

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860352-01-8

$$$$
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Syk 

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Free Base

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http://www.selleckchem.com/products/R406(free-base).html

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841290-80-0

$$$$
DMXAA.cdx
csChFnd80/10101811552D

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VDA

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Free Base

>  <URL> (242)
http://www.selleckchem.com/products/DMXAA(ASA404).html

>  <CAS Number> (242)
117570-53-3

$$$$
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csChFnd80/10101811552D

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403

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C21H25ClO6

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408.8726

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Dapagliflozin

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S1548

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BMS-512148

>  <Target> (243)
SGLT 

>  <Form> (243)
Free Base

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

>  <CAS Number> (243)
461432-26-8

$$$$
Pimobendan.cdx
csChFnd80/10101811552D

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Acardi, pimobendane

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PDE

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http://www.selleckchem.com/products/Pimobendan(Vetmedin).html

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74150-27-9

$$$$
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Crixan, Klaricid, Klabax, Claripen, Clarem, Claridar, Fromilid, Clacid, Clacee, Vikrol, Infex, Clari 

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81103-11-9

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mTOR

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>  <Mol_ID> (249)
411

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C28H38N12O6S

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670.74312

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Abacavir sulfate

>  <Catalog Number> (249)
S3165

>  <Synonyms> (249)
N/A 

>  <Target> (249)
Reverse Transcriptase

>  <Form> (249)
Sulfate

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

>  <CAS Number> (249)
188062-50-2

$$$$
Amikacin hydrate.cdx
csChFnd80/10101811552D

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R
M  END
>  <Mol_ID> (250)
412

>  <Formula> (250)
C22H45N5O14R

>  <MolWeight> (250)
603.6178

>  <Item Name> (250)
Amikacin hydrate

>  <Catalog Number> (250)
S3122

>  <Synonyms> (250)
N/A 

>  <Target> (250)
Antifection

>  <Form> (250)
Hydrate

>  <URL> (250)
http://www.selleckchem.com/products/amikacin-hydrate.html

>  <CAS Number> (250)
1257517-67-1

$$$$
KRN633.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (251)
414

>  <Formula> (251)
C20H21ClN4O4

>  <MolWeight> (251)
416.85814

>  <Item Name> (251)
KRN 633

>  <Catalog Number> (251)
S1557

>  <Synonyms> (251)
N/A 

>  <Target> (251)
VEGFR, PDGFR

>  <Form> (251)
Free Base

>  <URL> (251)
http://www.selleckchem.com/products/KRN-633.html

>  <CAS Number> (251)
286370-15-8

$$$$
AT7867.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (257)
421

>  <Formula> (257)
C30H33N3O5S

>  <MolWeight> (257)
547.66512

>  <Item Name> (257)
KU-60019

>  <Catalog Number> (257)
S1570

>  <Synonyms> (257)
N/A

>  <Target> (257)
ATM 

>  <Form> (257)
Free Base

>  <URL> (257)
http://www.selleckchem.com/products/KU-60019.html

>  <CAS Number> (257)
925701-49-1

$$$$
BS-181.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (258)
423

>  <Formula> (258)
C22H33ClN6

>  <MolWeight> (258)
416.99062

>  <Item Name> (258)
BS-181 HCl

>  <Catalog Number> (258)
S1572

>  <Synonyms> (258)
N/A

>  <Target> (258)
CDK 

>  <Form> (258)
Hydrochloride

>  <URL> (258)
http://www.selleckchem.com/products/BS-181.html

>  <CAS Number> (258)
1397219-81-6

$$$$
Fasudil HCl.cdx
csChFnd80/10101811552D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (259)
424

>  <Formula> (259)
C14H18ClN3O2S

>  <MolWeight> (259)
327.82962

>  <Item Name> (259)
Fasudil HCl (HA-1077)

>  <Catalog Number> (259)
S1573

>  <Synonyms> (259)
AT-877 

>  <Target> (259)
ROCK

>  <Form> (259)
Hydrochloride

>  <URL> (259)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

>  <CAS Number> (259)
105628-07-7

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/10101811552D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (260)
425

>  <Formula> (260)
C31H37N5O3

>  <MolWeight> (260)
527.65718

>  <Item Name> (260)
BIRB 796 (Doramapimod)

>  <Catalog Number> (260)
S1574

>  <Synonyms> (260)
N/A

>  <Target> (260)
p38 MAPK

>  <Form> (260)
Free Base

>  <URL> (260)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

>  <CAS Number> (260)
285983-48-4

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/10101811552D

 32 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (261)
427

>  <Formula> (261)
C26H21N3O2S

>  <MolWeight> (261)
439.52884

>  <Item Name> (261)
Tie2 kinase inhibitor

>  <Catalog Number> (261)
S1577

>  <Synonyms> (261)
N/A

>  <Target> (261)
Tie-2

>  <Form> (261)
Free Base

>  <URL> (261)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

>  <CAS Number> (261)
948557-43-5

$$$$
Altrenogest.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (262)
429

>  <Formula> (262)
C21H26O2

>  <MolWeight> (262)
310.42994

>  <Item Name> (262)
Altrenogest

>  <Catalog Number> (262)
S3167

>  <Synonyms> (262)
N/A 

>  <Target> (262)
Estrogen/progestogen Receptor

>  <Form> (262)
Free Base

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

>  <CAS Number> (262)
850-52-2

$$$$
Apixaban.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (263)
433

>  <Formula> (263)
C25H25N5O4

>  <MolWeight> (263)
459.4971

>  <Item Name> (263)
Apixaban

>  <Catalog Number> (263)
S1593

>  <Synonyms> (263)
N/A

>  <Target> (263)
Factor Xa 

>  <Form> (263)
Free Base

>  <URL> (263)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

>  <CAS Number> (263)
503612-47-3

$$$$
Semagacestat.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (264)
434

>  <Formula> (264)
C19H27N3O4

>  <MolWeight> (264)
361.43538

>  <Item Name> (264)
Semagacestat (LY450139)

>  <Catalog Number> (264)
S1594

>  <Synonyms> (264)
LY-450139, LY450139

>  <Target> (264)
Gamma-secretase

>  <Form> (264)
Free Base

>  <URL> (264)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

>  <CAS Number> (264)
425386-60-3

$$$$

csChFnd80/10101811552D

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 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (265)
437

>  <Formula> (265)
C27H30Cl2F2N6O

>  <MolWeight> (265)
563.4695064

>  <Item Name> (265)
NVP-BSK805 2HCl

>  <Catalog Number> (265)
S2686 

>  <Synonyms> (265)
N/A

>  <Target> (265)
JAK

>  <Form> (265)
HCl

>  <URL> (265)
http://www.selleckchem.com/products/nvp-bsk805.html

>  <CAS Number> (265)
1092499-93-8 (free base)

$$$$
MESTINON (pyridostigmine bromide).cdx
csChFnd80/10101811552D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.0664    4.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.7463    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4955    4.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5405    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (266)
442

>  <Formula> (266)
C9H13BrN2O2

>  <MolWeight> (266)
261.11572

>  <Item Name> (266)
Pyridostigmine Bromide (Mestinon)

>  <Catalog Number> (266)
S1608

>  <Synonyms> (266)
N/A

>  <Target> (266)
AChR

>  <Form> (266)
Bromide

>  <URL> (266)
http://www.selleckchem.com/products/Pyridostigmine-Bromide(Mestinon).html

>  <CAS Number> (266)
101-26-8

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/10101811552D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.5495    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3908    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6033    1.4000    0.0000 F   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 11  1  0  0  0  0
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 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (267)
446

>  <Formula> (267)
C8H5F3N2OS

>  <MolWeight> (267)
234.1983096

>  <Item Name> (267)
Riluzole (Rilutek)

>  <Catalog Number> (267)
S1614

>  <Synonyms> (267)
PK-26124, RP-54274, Rilutek

>  <Target> (267)
Sodium Channel

>  <Form> (267)
Free Base

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

>  <CAS Number> (267)
1744-22-5

$$$$
RISPERIDONE (risperidone).cdx
csChFnd80/10101811552D

 30 34  0  0  0  0  0  0  0  0999 V2000
   12.6402    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6402    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0651    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    6.5785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2775    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4900    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4900    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2775    6.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5907    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0155    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1035    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6708    3.5843    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
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 13 14  1  0  0  0  0
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 18 21  1  0  0  0  0
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 25 21  2  0  0  0  0
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 29 23  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (268)
447

>  <Formula> (268)
C23H27FN4O2

>  <MolWeight> (268)
410.4844832

>  <Item Name> (268)
Risperidone (Risperdal)

>  <Catalog Number> (268)
S1615

>  <Synonyms> (268)
R 64 766, Risperdal

>  <Target> (268)
5-HT Receptor

>  <Form> (268)
Free Base

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

>  <CAS Number> (268)
106266-06-2

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/10101811552D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    3.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
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  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (269)
452

>  <Formula> (269)
C5H9NO3S

>  <MolWeight> (269)
163.19486

>  <Item Name> (269)
Acetylcysteine

>  <Catalog Number> (269)
S1623

>  <Synonyms> (269)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (269)
AChR

>  <Form> (269)
Free Base

>  <URL> (269)
http://www.selleckchem.com/products/Acetylcysteine.html

>  <CAS Number> (269)
616-91-1

$$$$
ALENDRONATE SODIUM (alendronate sodium).cdx
csChFnd80/10101811552D

 18 13  0  0  0  0  0  0  0  0999 V2000
    2.8316    3.0899    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0440    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2565    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4647    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6729    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8811    2.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8215    4.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192    3.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8416    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.4064    1.0377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  2  0  0  0  0
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 10 11  2  0  0  0  0
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 10 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (270)
453

>  <Formula> (270)
C4H19NNaO10P2

>  <MolWeight> (270)
326.131652

>  <Item Name> (270)
Alendronate sodium trihydrate

>  <Catalog Number> (270)
S1624

>  <Synonyms> (270)
N/A

>  <Target> (270)
Others

>  <Form> (270)
Sodium Salt

>  <URL> (270)
http://www.selleckchem.com/products/Alendronate-Sodium(Fosamax).html

>  <CAS Number> (270)
121268-17-5

$$$$
Naproxen sodium.cdx
csChFnd80/10101811552D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (271)
455

>  <Formula> (271)
C14H13NaO3

>  <MolWeight> (271)
252.24099

>  <Item Name> (271)
Naproxen Sodium

>  <Catalog Number> (271)
S1626

>  <Synonyms> (271)
Anaprox, Naprelan 

>  <Target> (271)
COX

>  <Form> (271)
Sodium Salt

>  <URL> (271)
http://www.selleckchem.com/products/Naproxen-Sodium(Aleve).html

>  <CAS Number> (271)
26159-34-2

$$$$
Oxacillin sodium monohydrate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (272)
462

>  <Formula> (272)
C19H20N3NaO6S

>  <MolWeight> (272)
441.43337

>  <Item Name> (272)
Oxacillin sodium monohydrate

>  <Catalog Number> (272)
S2563

>  <Synonyms> (272)
N/A

>  <Target> (272)
Antifection

>  <Form> (272)
Sodium Salt & hydrate

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

>  <CAS Number> (272)
7240-38-2

$$$$
ACHES-N-PAIN (ibuprofen).cdx
csChFnd80/10101811552D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (273)
464

>  <Formula> (273)
C13H18O2

>  <MolWeight> (273)
206.28082

>  <Item Name> (273)
Ibuprofen (Advil)

>  <Catalog Number> (273)
S1638

>  <Synonyms> (273)
Brufen, Nurofen, Motrin 

>  <Target> (273)
COX

>  <Form> (273)
Free Base

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

>  <CAS Number> (273)
15687-27-1

$$$$
ALDOMET (methyldopa).cdx
csChFnd80/10101811552D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (274)
467

>  <Formula> (274)
C10H13NO4

>  <MolWeight> (274)
211.21452

>  <Item Name> (274)
Methyldopa (Aldomet)

>  <Catalog Number> (274)
S1642

>  <Synonyms> (274)
Aldoril 

>  <Target> (274)
Others

>  <Form> (274)
Free Base

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

>  <CAS Number> (274)
555-30-6

$$$$
ACTRON (ketoprofen).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (275)
470

>  <Formula> (275)
C16H14O3

>  <MolWeight> (275)
254.28056

>  <Item Name> (275)
Ketoprofen (Actron)

>  <Catalog Number> (275)
S1645

>  <Synonyms> (275)
Orudis, Oruvail 

>  <Target> (275)
COX

>  <Form> (275)
Free Base

>  <URL> (275)
http://www.selleckchem.com/products/Ketoprofen(Actron).html

>  <CAS Number> (275)
22071-15-4

$$$$
AT101.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (276)
474

>  <Formula> (276)
C32H34O10

>  <MolWeight> (276)
578.60636

>  <Item Name> (276)
AT101

>  <Catalog Number> (276)
S2812

>  <Synonyms> (276)
N/A

>  <Target> (276)
Bcl-2

>  <Form> (276)
Free Base

>  <URL> (276)
http://www.selleckchem.com/products/at101.html

>  <CAS Number> (276)
866541-93-7

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (277)
475

>  <Formula> (277)
C9H13N3O5

>  <MolWeight> (277)
243.21662

>  <Item Name> (277)
Cytarabine

>  <Catalog Number> (277)
S1648

>  <Synonyms> (277)
N/A 

>  <Target> (277)
Others

>  <Form> (277)
Free Base

>  <URL> (277)
http://www.selleckchem.com/products/Cytarabine(Cytosar-U).html

>  <CAS Number> (277)
147-94-4

$$$$
ZOMIG (zolmitriptan).cdx
csChFnd80/10101811552D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (278)
476

>  <Formula> (278)
C16H21N3O2

>  <MolWeight> (278)
287.35684

>  <Item Name> (278)
Zolmitriptan (Zomig)

>  <Catalog Number> (278)
S1649

>  <Synonyms> (278)
Zomig, Zomigon, AscoTopand, Zomigoro 

>  <Target> (278)
5-HT Receptor

>  <Form> (278)
Free Base

>  <URL> (278)
http://www.selleckchem.com/products/Zolmitriptan(Zomig).html

>  <CAS Number> (278)
139264-17-8

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (279)
483

>  <Formula> (279)
C19H21N3O5

>  <MolWeight> (279)
371.38714

>  <Item Name> (279)
Isradipine (Dynacirc)

>  <Catalog Number> (279)
S1662

>  <Synonyms> (279)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin 

>  <Target> (279)
Calcium Channel

>  <Form> (279)
Free Base

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

>  <CAS Number> (279)
75695-93-1

$$$$
ESTROGENIC SUBSTANCE (estrone).cdx
csChFnd80/10101811552D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (280)
484

>  <Formula> (280)
C18H22O2

>  <MolWeight> (280)
270.36608

>  <Item Name> (280)
Estrone

>  <Catalog Number> (280)
S1665

>  <Synonyms> (280)
Oestrone

>  <Target> (280)
Estrogen/progestogen Receptor

>  <Form> (280)
Free Base

>  <URL> (280)
http://www.selleckchem.com/products/Estrone.html

>  <CAS Number> (280)
53-16-7 

$$$$
Pregnenolone.cdx
csChFnd80/10101811552D

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    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  1  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
M  END
>  <Mol_ID> (281)
488

>  <Formula> (281)
C21H32O2

>  <MolWeight> (281)
316.47758

>  <Item Name> (281)
Pregnenolone

>  <Catalog Number> (281)
S1914

>  <Synonyms> (281)
N/A

>  <Target> (281)
Estrogen/progestogen Receptor

>  <Form> (281)
Free Base

>  <URL> (281)
http://www.selleckchem.com/products/pregnenolone.html

>  <CAS Number> (281)
145-13-1

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/10101811552D

 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> (282)
501

>  <Formula> (282)
C15H12N2O

>  <MolWeight> (282)
236.26858

>  <Item Name> (282)
Carbamazepine (Carbatrol)

>  <Catalog Number> (282)
S1693

>  <Synonyms> (282)
Equetro, Tegretol, Biston 

>  <Target> (282)
Autophagy,Sodium Channel

>  <Form> (282)
Free Base

>  <URL> (282)
http://www.selleckchem.com/products/Carbamazepine(Carbatrol).html

>  <CAS Number> (282)
298-46-4

$$$$
DEMADEX (torsemide).cdx
csChFnd80/10101811552D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.2494    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6247    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3411    8.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7411    8.2076    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  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
  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
 17 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
 15 23  2  0  0  0  0
 15 24  2  0  0  0  0
M  END
>  <Mol_ID> (283)
503

>  <Formula> (283)
C16H20N4O3S

>  <MolWeight> (283)
348.42

>  <Item Name> (283)
Torsemide (Demadex)

>  <Catalog Number> (283)
S1698

>  <Synonyms> (283)
Demadex

>  <Target> (283)
Others

>  <Form> (283)
Free Base

>  <URL> (283)
http://www.selleckchem.com/products/Torsemide(Demadex).html

>  <CAS Number> (283)
56211-40-6

$$$$
DIDANOSINE (didanosine).cdx
csChFnd80/10101811552D

 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> (284)
505

>  <Formula> (284)
C10H12N4O3

>  <MolWeight> (284)
236.22728

>  <Item Name> (284)
Didanosine (Videx)

>  <Catalog Number> (284)
S1702

>  <Synonyms> (284)
Videx EC 

>  <Target> (284)
NULL

>  <Form> (284)
Free Base

>  <URL> (284)
http://www.selleckchem.com/products/Didanosine(Videx).html

>  <CAS Number> (284)
69655-05-6

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/10101811552D

 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> (285)
506

>  <Formula> (285)
C16H31NaO4

>  <MolWeight> (285)
310.40471

>  <Item Name> (285)
Divalproex sodium

>  <Catalog Number> (285)
S1703

>  <Synonyms> (285)
Depakote, Epival

>  <Target> (285)
HDAC

>  <Form> (285)
Sodium Salt

>  <URL> (285)
http://www.selleckchem.com/products/Divalproex-sodium.html

>  <CAS Number> (285)
76584-70-8

$$$$
EPIVIR (lamivudine).cdx
csChFnd80/10101811552D

 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> (286)
508

>  <Formula> (286)
C8H11N3O3S

>  <MolWeight> (286)
229.25624

>  <Item Name> (286)
Lamivudine (Epivir)

>  <Catalog Number> (286)
S1706

>  <Synonyms> (286)
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV 

>  <Target> (286)
Reverse Transcriptase

>  <Form> (286)
Free Base

>  <URL> (286)
http://www.selleckchem.com/products/Lamivudine(Epivir).html

>  <CAS Number> (286)
134678-17-4

$$$$
DCC-2036.cdx
csChFnd80/10101811552D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.3036    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    4.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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DCC-2036 (Rebastinib)

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S2634

>  <Synonyms> (287)
N/A 

>  <Target> (287)
Bcr-Abl

>  <Form> (287)
Free Base

>  <URL> (287)
http://www.selleckchem.com/products/dcc-2036.html

>  <CAS Number> (287)
1020172-07-9

$$$$
FELDENE (piroxicam).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (288)
514

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C15H13N3O4S

>  <MolWeight> (288)
331.34642

>  <Item Name> (288)
Piroxicam (Feldene)

>  <Catalog Number> (288)
S1713

>  <Synonyms> (288)
Roxam

>  <Target> (288)
COX 

>  <Form> (288)
Free Base

>  <URL> (288)
http://www.selleckchem.com/products/Piroxicam(Feldene).html

>  <CAS Number> (288)
36322-90-4

$$$$
HEPSERA (adefovir dipivoxil).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (289)
517

>  <Formula> (289)
C20H32N5O8P

>  <MolWeight> (289)
501.470541

>  <Item Name> (289)
Adefovir Dipivoxil (Preveon, Hepsera)

>  <Catalog Number> (289)
S1718

>  <Synonyms> (289)
Bis-POM PMEA, Preveon, Hepsera 

>  <Target> (289)
Reverse Transcriptase

>  <Form> (289)
Free Base

>  <URL> (289)
http://www.selleckchem.com/products/Adefovir-Dipivoxil(Preveon).html

>  <CAS Number> (289)
142340-99-6

$$$$
HIVID (zalcitabine).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (290)
518

>  <Formula> (290)
C9H13N3O3

>  <MolWeight> (290)
211.21782

>  <Item Name> (290)
Zalcitabine

>  <Catalog Number> (290)
S1719

>  <Synonyms> (290)
Hivid, Dideoxycytidine 

>  <Target> (290)
Reverse Transcriptase

>  <Form> (290)
Free Base

>  <URL> (290)
http://www.selleckchem.com/products/Zalcitabine.html

>  <CAS Number> (290)
7481-89-2

$$$$
NEVIRAPINE (nevirapine).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (291)
532

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C15H14N4O

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266.29786

>  <Item Name> (291)
Nevirapine (Viramune)

>  <Catalog Number> (291)
S1742

>  <Synonyms> (291)
Viramune, BI-RG 587

>  <Target> (291)
Reverse Transcriptase

>  <Form> (291)
Free Base

>  <URL> (291)
http://www.selleckchem.com/products/Nevirapine(Viramune).html

>  <CAS Number> (291)
129618-40-2

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/10101811552D

 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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    0.0000    6.3098    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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M  END
>  <Mol_ID> (292)
533

>  <Formula> (292)
C21H26N2O7

>  <MolWeight> (292)
418.44034

>  <Item Name> (292)
Nimodipine (Nimotop)

>  <Catalog Number> (292)
S1747

>  <Synonyms> (292)
Nimotop

>  <Target> (292)
Autophagy,Calcium Channel

>  <Form> (292)
Free Base

>  <URL> (292)
http://www.selleckchem.com/products/Nimodipine(Nimotop).html

>  <CAS Number> (292)
66085-59-4

$$$$
QUETIAPINE FUMARATE (quetiapine fumarate).cdx
csChFnd80/10101811552D

 62 67  0  0  0  0  0  0  0  0999 V2000
    9.8895    4.9364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (293)
537

>  <Formula> (293)
C46H54N6O8S2

>  <MolWeight> (293)
883.08636

>  <Item Name> (293)
Quetiapine fumarate (Seroquel)

>  <Catalog Number> (293)
S1763

>  <Synonyms> (293)
ICI-204636, ZD 5077, ZM 204636, Seroquel XR 

>  <Target> (293)
Dopamine Receptor

>  <Form> (293)
Fumarate

>  <URL> (293)
http://www.selleckchem.com/products/Quetiapine-fumarate(Seroquel).html

>  <CAS Number> (293)
111974-72-2

$$$$
TARACTAN (chlorprothixene).cdx
csChFnd80/10101811552D

 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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M  END
>  <Mol_ID> (294)
541

>  <Formula> (294)
C18H18ClNS

>  <MolWeight> (294)
315.86022

>  <Item Name> (294)
Chlorprothixene

>  <Catalog Number> (294)
S1771

>  <Synonyms> (294)
Cloxan, Taractan, Truxal

>  <Target> (294)
Dopamine Receptor

>  <Form> (294)
Free Base

>  <URL> (294)
http://www.selleckchem.com/products/Chlorprothixene.html

>  <CAS Number> (294)
113-59-7

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (295)
543

>  <Formula> (295)
C5H5N5S

>  <MolWeight> (295)
167.1917

>  <Item Name> (295)
Thioguanine

>  <Catalog Number> (295)
S1774

>  <Synonyms> (295)
6-Thioguanine

>  <Target> (295)
Others

>  <Form> (295)
Free Base

>  <URL> (295)
http://www.selleckchem.com/products/Thioguanine.html

>  <CAS Number> (295)
154-42-7

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (296)
547

>  <Formula> (296)
C8H12N4O5

>  <MolWeight> (296)
244.20468

>  <Item Name> (296)
Azacitidine (Vidaza)

>  <Catalog Number> (296)
S1782

>  <Synonyms> (296)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (296)
DNA/RNA Synthesis

>  <Form> (296)
Free Base

>  <URL> (296)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

>  <CAS Number> (296)
320-67-2

$$$$
ALTACE (ramipril).cdx
csChFnd80/10101811552D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 21 25  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (297)
552

>  <Formula> (297)
C23H32N2O5

>  <MolWeight> (297)
416.51058

>  <Item Name> (297)
Ramipril (Altace)

>  <Catalog Number> (297)
S1793

>  <Synonyms> (297)
Tritace

>  <Target> (297)
RAAS

>  <Form> (297)
Free Base

>  <URL> (297)
http://www.selleckchem.com/products/Ramipril(Altace).html

>  <CAS Number> (297)
87333-19-5

$$$$
Baricitinib.cdx
csChFnd80/10101811552D

 26 29  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> (298)
560

>  <Formula> (298)
C16H17N7O2S

>  <MolWeight> (298)
371.41688

>  <Item Name> (298)
Baricitinib (LY3009104)

>  <Catalog Number> (298)
S2851

>  <Synonyms> (298)
INCB 28050

>  <Target> (298)
JAK

>  <Form> (298)
Free Base

>  <URL> (298)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

>  <CAS Number> (298)
1187594-09-7

$$$$
Deferiprone.cdx
csChFnd80/10101811552D

 10 10  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> (299)
563

>  <Formula> (299)
C7H9NO2

>  <MolWeight> (299)
139.15186

>  <Item Name> (299)
Deferiprone

>  <Catalog Number> (299)
S4067

>  <Synonyms> (299)
N/A

>  <Target> (299)
Others

>  <Form> (299)
Free Base

>  <URL> (299)
http://www.selleckchem.com/products/deferiprone.html

>  <CAS Number> (299)
30652-11-0

$$$$
cimetidine.cdx
csChFnd80/10101811552D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (300)
567

>  <Formula> (300)
C10H16N6S

>  <MolWeight> (300)
252.33924

>  <Item Name> (300)
Cimetidine (Tagamet)

>  <Catalog Number> (300)
S1845

>  <Synonyms> (300)
Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil 

>  <Target> (300)
NULL

>  <Form> (300)
Free Base

>  <URL> (300)
http://www.selleckchem.com/products/Cimetidine(Tagamet).html

>  <CAS Number> (300)
51481-61-9

$$$$
Levamisole Hydrochloride.cdx
csChFnd80/10101811552D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (301)
574

>  <Formula> (301)
C11H13ClN2S

>  <MolWeight> (301)
240.75232

>  <Item Name> (301)
(-)-Tetramisole 

>  <Catalog Number> (301)
S1939

>  <Synonyms> (301)
Ergamisol

>  <Target> (301)
Immunology & Inflammation related

>  <Form> (301)
Hydrochloride

>  <URL> (301)
http://www.selleckchem.com/products/Levamisole-Hydrochloride(Ergamisol).html

>  <CAS Number> (301)
16595-80-5 

$$$$
LEXXEL (enalapril maleate).cdx
csChFnd80/10101811552D

 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
    0.0000    0.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4414    4.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4545    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4606    2.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.5679    0.9170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2703    2.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.6703    2.1337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0606    2.1337    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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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  9 10  1  1  0  0  0
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 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 14 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  1  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 21 25  1  1  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 28 29  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 31 34  1  0  0  0  0
 28 35  2  0  0  0  0
M  END
>  <Mol_ID> (302)
576

>  <Formula> (302)
C24H32N2O9

>  <MolWeight> (302)
492.51888

>  <Item Name> (302)
Enalapril maleate (Vasotec)

>  <Catalog Number> (302)
S1941

>  <Synonyms> (302)
Glioten, Renitec 

>  <Target> (302)
Opioid Receptor

>  <Form> (302)
Maleate

>  <URL> (302)
http://www.selleckchem.com/products/Enalapril-maleate(Vasotec).html

>  <CAS Number> (302)
76095-16-4

$$$$
Metformin hydrochloride.cdx
csChFnd80/10101811552D

 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> (303)
578

>  <Formula> (303)
C4H12ClN5

>  <MolWeight> (303)
165.62458

>  <Item Name> (303)
Metformin hydrochloride (Glucophage)

>  <Catalog Number> (303)
S1950

>  <Synonyms> (303)
Glucophage, Riomet, Diabex

>  <Target> (303)
Others

>  <Form> (303)
Hydrochloride

>  <URL> (303)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

>  <CAS Number> (303)
1115-70-4

$$$$
Nefiracetam.cdx
csChFnd80/10101811552D

 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> (304)
582

>  <Formula> (304)
C14H18N2O2

>  <MolWeight> (304)
246.30492

>  <Item Name> (304)
Nefiracetam (Translon)

>  <Catalog Number> (304)
S1969

>  <Synonyms> (304)
DM 9384, Translon, DZL-221

>  <Target> (304)
GABA Receptor

>  <Form> (304)
Free Base

>  <URL> (304)
http://www.selleckchem.com/products/Nefiracetam(Translon).html

>  <CAS Number> (304)
77191-36-7

$$$$
Nicorandil.cdx
csChFnd80/10101811552D

 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> (305)
583

>  <Formula> (305)
C8H9N3O4

>  <MolWeight> (305)
211.17476

>  <Item Name> (305)
Nicorandil (Ikorel)

>  <Catalog Number> (305)
S1971

>  <Synonyms> (305)
SG-75

>  <Target> (305)
Potassium Channel

>  <Form> (305)
Free Base

>  <URL> (305)
http://www.selleckchem.com/products/Nicorandil(Ikorel).html

>  <CAS Number> (305)
65141-46-0

$$$$
PAMINE (methscopolamine bromide).cdx
csChFnd80/10101811552D

 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
    8.7057    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  9 17  1  6  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
 19 22  1  1  0  0  0
 22 23  1  0  0  0  0
 21 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 21  1  0  0  0  0
M  END
>  <Mol_ID> (306)
586

>  <Formula> (306)
C18H24BrNO4

>  <MolWeight> (306)
398.29146

>  <Item Name> (306)
Methscopolamine (Pamine)

>  <Catalog Number> (306)
S1978

>  <Synonyms> (306)
N/A 

>  <Target> (306)
AChR

>  <Form> (306)
quaternary-N bromide salt

>  <URL> (306)
http://www.selleckchem.com/products/Methscopolamine-bromide(Pamine).html

>  <CAS Number> (306)
155-41-9

$$$$
SEROMYCIN (cycloserine).cdx
csChFnd80/10101811552D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.1326    3.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    1.3315    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5921    1.7626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  6  0  0  0
M  END
>  <Mol_ID> (307)
588

>  <Formula> (307)
C3H6N2O2

>  <MolWeight> (307)
102.09194

>  <Item Name> (307)
D-Cycloserine

>  <Catalog Number> (307)
S1998

>  <Synonyms> (307)
Seromycin

>  <Target> (307)
Antifection

>  <Form> (307)
Free Base

>  <URL> (307)
http://www.selleckchem.com/products/D-Cycloserine.html

>  <CAS Number> (307)
68-41-7

$$$$
Sodium butyrate.cdx
csChFnd80/10101811552D

  7  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (308)
589

>  <Formula> (308)
C4H7NaO2

>  <MolWeight> (308)
110.08695

>  <Item Name> (308)
Sodium butyrate

>  <Catalog Number> (308)
S1999

>  <Synonyms> (308)
Butyric acid sodium salt

>  <Target> (308)
HDAC

>  <Form> (308)
Sodium Salt

>  <URL> (308)
http://www.selleckchem.com/products/Sodium-butyrate.html

>  <CAS Number> (308)
156-54-7

$$$$
Sodium orthovanadate.cdx
csChFnd80/10101811552D

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  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (309)
590

>  <Formula> (309)
Na3O4V

>  <MolWeight> (309)
183.90841

>  <Item Name> (309)
Sodium orthovanadate

>  <Catalog Number> (309)
S2000

>  <Synonyms> (309)
N/A

>  <Target> (309)
ATPase

>  <Form> (309)
Sodium Salt

>  <URL> (309)
http://www.selleckchem.com/products/Sodium-orthovanadate.html

>  <CAS Number> (309)
13721-39-6

$$$$
untitled.cdx
csChFnd80/10101811552D

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    7.2788    9.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  1  0  0  0  0
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 18 20  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (310)
591

>  <Formula> (310)
C23H23ClFNO5

>  <MolWeight> (310)
447.8838232

>  <Item Name> (310)
Elvitegravir (GS-9137)

>  <Catalog Number> (310)
S2001

>  <Synonyms> (310)
N/A 

>  <Target> (310)
Integrase 

>  <Form> (310)
Free Base

>  <URL> (310)
http://www.selleckchem.com/products/Elvitegravir.html

>  <CAS Number> (310)
697761-98-1

$$$$
Raltegravir.cdx
csChFnd80/10101811552D

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.4446    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0777    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2363    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9232    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (311)
594

>  <Formula> (311)
C20H21FN6O5

>  <MolWeight> (311)
444.4163432

>  <Item Name> (311)
Raltegravir (MK-0518)

>  <Catalog Number> (311)
S2005

>  <Synonyms> (311)
Isentress 

>  <Target> (311)
Integrase

>  <Form> (311)
Free Base

>  <URL> (311)
http://www.selleckchem.com/products/Raltegravir-(MK-0518).html

>  <CAS Number> (311)
518048-05-0

$$$$
pyrimethamine.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (312)
595

>  <Formula> (312)
C12H13ClN4

>  <MolWeight> (312)
248.71142

>  <Item Name> (312)
Pyrimethamine

>  <Catalog Number> (312)
S2006

>  <Synonyms> (312)
Daraprim

>  <Target> (312)
NULL

>  <Form> (312)
Free Base

>  <URL> (312)
http://www.selleckchem.com/products/Pyrimethamine.html

>  <CAS Number> (312)
58-14-0

$$$$
Taurine.cdx
csChFnd80/10101811552D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (313)
597

>  <Formula> (313)
C2H7NO3S

>  <MolWeight> (313)
125.14688

>  <Item Name> (313)
Taurine

>  <Catalog Number> (313)
S2008

>  <Synonyms> (313)
2-Aminoethanesulfonic acid

>  <Target> (313)
Others

>  <Form> (313)
Free Base

>  <URL> (313)
http://www.selleckchem.com/products/Taurine.html

>  <CAS Number> (313)
107-35-7

$$$$
Synephrine.cdx
csChFnd80/10101811552D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (314)
604

>  <Formula> (314)
C9H13NO2

>  <MolWeight> (314)
167.20502

>  <Item Name> (314)
Synephrine (Oxedrine)

>  <Catalog Number> (314)
S2362

>  <Synonyms> (314)
Oxedrine, p-Synephrine, Sympatol, Parasympatol, Sympaethamine 

>  <Target> (314)
Androgen Receptor

>  <Form> (314)
Free Base

>  <URL> (314)
http://www.selleckchem.com/products/Synephrine(Oxedrine).html

>  <CAS Number> (314)
94-07-5

$$$$
Tanshinone I.cdx
csChFnd80/10101811552D

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    4.8497    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.9278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8248    0.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
  6 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (315)
606

>  <Formula> (315)
C18H12O3

>  <MolWeight> (315)
276.28608

>  <Item Name> (315)
Tanshinone I

>  <Catalog Number> (315)
S2364

>  <Synonyms> (315)
N/A

>  <Target> (315)
Others

>  <Form> (315)
Free Base

>  <URL> (315)
http://www.selleckchem.com/products/Tanshinone-I.html

>  <CAS Number> (315)
568-73-0

$$$$
Butylscopolamine bromide.cdx
csChFnd80/10101811552D

 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
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   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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    6.0473    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0999    5.4760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7970    4.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3953    6.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.2498   10.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2632   11.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243   12.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549    9.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
 19  8  1  6  0  0  0
 14 20  1  6  0  0  0
 13 21  1  6  0  0  0
 12 22  1  6  0  0  0
 11 23  1  1  0  0  0
 10 24  1  1  0  0  0
  9 25  2  0  0  0  0
 24 26  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
>  <Mol_ID> (316)
619

>  <Formula> (316)
C21H30BrNO4

>  <MolWeight> (316)
440.3712

>  <Item Name> (316)
Butylscopolamine bromide (Scopolamine butylb

>  <Catalog Number> (316)
S2378

>  <Synonyms> (316)
Scopolamine butylbromide, Butylhyoscine

>  <Target> (316)
Others

>  <Form> (316)
Bromide

>  <URL> (316)
http://www.selleckchem.com/products/Butylscopolamine-bromide(Scopolamine-butylbromide).html

>  <CAS Number> (316)
149-64-4

$$$$
Indirubin.cdx
csChFnd80/10101811552D

 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
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    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8964    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6476    4.9589    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
  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> (317)
627

>  <Formula> (317)
C16H10N2O2

>  <MolWeight> (317)
262.2628

>  <Item Name> (317)
Indirubin

>  <Catalog Number> (317)
S2386

>  <Synonyms> (317)
N/A

>  <Target> (317)
GSK-3

>  <Form> (317)
Free Base

>  <URL> (317)
http://www.selleckchem.com/products/Indirubin.html

>  <CAS Number> (317)
479-41-4 

$$$$
Lappaconite Hydrobromide.cdx
csChFnd80/10101811552D

 46 51  0  0  0  0  0  0  0  0999 V2000
    2.2778    9.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2778    7.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7027    7.9620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7027    9.3620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4903   10.0620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1276    7.9620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1276    9.3620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9152   10.0620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3132    7.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7132    7.0578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7027   10.7620    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9069    8.7349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0951    4.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9152   11.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7090   11.4328    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7090    7.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5525    9.3620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3486   12.8571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7016   12.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1016   12.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4903   11.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2778   12.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4382    6.8391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5546   10.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5632    3.0474    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
  5 12  1  6  0  0  0
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 13 14  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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  8 28  1  0  0  0  0
 28 29  1  0  0  0  0
  9 30  1  0  0  0  0
 30 29  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
  7 32  1  0  0  0  0
 28 33  1  6  0  0  0
  9 34  1  1  0  0  0
 29 35  1  1  0  0  0
 31 36  1  1  0  0  0
 36 37  1  0  0  0  0
  6 38  1  6  0  0  0
 38 39  1  0  0  0  0
  4 40  1  1  0  0  0
  7 41  1  1  0  0  0
  8 42  1  1  0  0  0
 33 43  1  0  0  0  0
 13 44  1  0  0  0  0
 44 45  1  0  0  0  0
 11 12  1  6  0  0  0
M  END
>  <Mol_ID> (318)
628

>  <Formula> (318)
C32H45BrN2O8

>  <MolWeight> (318)
665.6123

>  <Item Name> (318)
Lappaconite Hydrobromide

>  <Catalog Number> (318)
S2387

>  <Synonyms> (318)
N/A

>  <Target> (318)
Others

>  <Form> (318)
Hydrobromide

>  <URL> (318)
http://www.selleckchem.com/products/Lappaconite-Hydrobromide.html

>  <CAS Number> (318)
97792-45-5 

$$$$
Polydatin.cdx
csChFnd80/10101811552D

 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
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>  <Mol_ID> (319)
631

>  <Formula> (319)
C20H22O8

>  <MolWeight> (319)
390.38388

>  <Item Name> (319)
Polydatin(Piceid)

>  <Catalog Number> (319)
S2390

>  <Synonyms> (319)
Piceid, 3,4,5-Tsg, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside 

>  <Target> (319)
Phospholipase (e.g. PLA)

>  <Form> (319)
Free Base

>  <URL> (319)
http://www.selleckchem.com/products/Polydatin(Piceid).html

>  <CAS Number> (319)
65914-17-2

$$$$
Naringenin.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (320)
635

>  <Formula> (320)
C15H12O5

>  <MolWeight> (320)
272.25278

>  <Item Name> (320)
Naringenin

>  <Catalog Number> (320)
S2394

>  <Synonyms> (320)
N/A

>  <Target> (320)
P450

>  <Form> (320)
Free Base

>  <URL> (320)
http://www.selleckchem.com/products/Naringenin.html

>  <CAS Number> (320)
480-41-1

$$$$
S-(+)-Rolipram.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (321)
647

>  <Formula> (321)
C16H21NO3

>  <MolWeight> (321)
275.34284

>  <Item Name> (321)
S-(+)-Rolipram

>  <Catalog Number> (321)
S2127

>  <Synonyms> (321)
N/A

>  <Target> (321)
PDE

>  <Form> (321)
Free Base

>  <URL> (321)
http://www.selleckchem.com/products/sRolipram.html

>  <CAS Number> (321)
85416-73-5

$$$$
Fudosteine.cdx
csChFnd80/10101811552D

 11 10  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (322)
648

>  <Formula> (322)
C6H13NO3S

>  <MolWeight> (322)
179.23732

>  <Item Name> (322)
Fudosteine

>  <Catalog Number> (322)
S2129

>  <Synonyms> (322)
N/A

>  <Target> (322)
Others

>  <Form> (322)
Free Base

>  <URL> (322)
http://www.selleckchem.com/products/Fudosteine.html

>  <CAS Number> (322)
13189-98-5

$$$$
Roflumilast.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (323)
650

>  <Formula> (323)
C17H14Cl2F2N2O3

>  <MolWeight> (323)
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>  <Item Name> (323)
Roflumilast (Daxas)

>  <Catalog Number> (323)
S2131

>  <Synonyms> (323)
Daxas

>  <Target> (323)
PDE

>  <Form> (323)
Free Base

>  <URL> (323)
http://www.selleckchem.com/products/Roflumilast(Daxas).html

>  <CAS Number> (323)
162401-32-3

$$$$
E7080.cdx
csChFnd80/10101811552D

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E7080 (Lenvatinib)

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S1164 

>  <Synonyms> (324)
N/A

>  <Target> (324)
VEGFR

>  <Form> (324)
Free Base

>  <URL> (324)
http://www.selleckchem.com/products/E7080.html

>  <CAS Number> (324)
417716-92-8

$$$$
AZD8330.cdx
csChFnd80/10101811552D

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C16H17FIN3O4

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AZD8330

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S2134

>  <Synonyms> (325)
N/A 

>  <Target> (325)
MEK

>  <Form> (325)
Free Base

>  <URL> (325)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

>  <CAS Number> (325)
869357-68-6

$$$$
Creatinine.cdx
csChFnd80/10101811552D

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C4H7N3O

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Creatinine

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>  <Synonyms> (326)
N/A 

>  <Target> (326)
Others

>  <Form> (326)
Free Base

>  <URL> (326)
http://www.selleckchem.com/products/creatinine.html

>  <CAS Number> (326)
60-27-5

$$$$
Ethynodiol diacetate.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (327)
658

>  <Formula> (327)
C24H32O4

>  <MolWeight> (327)
384.50848

>  <Item Name> (327)
Ethynodiol diacetate

>  <Catalog Number> (327)
S3160

>  <Synonyms> (327)
N/A 

>  <Target> (327)
Estrogen/progestogen Receptor

>  <Form> (327)
Free Base

>  <URL> (327)
http://www.selleckchem.com/products/ethynodiol-diacetate.html

>  <CAS Number> (327)
297-76-7

$$$$
Atomoxetine hydrochloride.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (328)
659

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C17H22ClNO

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Atomoxetine HCl

>  <Catalog Number> (328)
S3175

>  <Synonyms> (328)
N/A 

>  <Target> (328)
5-HT Receptor

>  <Form> (328)
hydrochloride

>  <URL> (328)
http://www.selleckchem.com/products/atomoxetine-hydrochloride.html

>  <CAS Number> (328)
82248-59-7

$$$$
BRL54443.cdx
csChFnd80/10101811552D

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S2852

>  <Synonyms> (329)
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>  <Target> (329)
5-HT Receptor

>  <Form> (329)
Free Base

>  <URL> (329)
http://www.selleckchem.com/products/brl-54443.html

>  <CAS Number> (329)
57477-39-1

$$$$
GSK 1292263.cdx
csChFnd80/10101811552D

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661

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C23H28N4O4S

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456.55782

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GSK1292263

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S2149

>  <Synonyms> (330)
N/A

>  <Target> (330)
GPR 

>  <Form> (330)
Free Base

>  <URL> (330)
http://www.selleckchem.com/products/GSK1292263.html

>  <CAS Number> (330)
1032823-75-8

$$$$
Neratinib.cdx
csChFnd80/10101811552D

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662

>  <Formula> (331)
C30H29ClN6O3

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557.04266

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Neratinib (HKI-272)

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S2150

>  <Synonyms> (331)
N/A 

>  <Target> (331)
HER2, EGFR

>  <Form> (331)
Free Base

>  <URL> (331)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

>  <CAS Number> (331)
698387-09-6

$$$$
Amitriptyline hydrochloride.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (332)
666

>  <Formula> (332)
C20H24ClN

>  <MolWeight> (332)
313.86426

>  <Item Name> (332)
Amitriptyline HCl 

>  <Catalog Number> (332)
S3183

>  <Synonyms> (332)
N/A 

>  <Target> (332)
5-HT Receptor

>  <Form> (332)
hydrochloride

>  <URL> (332)
http://www.selleckchem.com/products/amitriptyline-hydrochloride.html

>  <CAS Number> (332)
549-18-8

$$$$
KW2449.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (333)
669

>  <Formula> (333)
C20H20N4O

>  <MolWeight> (333)
332.399

>  <Item Name> (333)
KW 2449

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S2158

>  <Synonyms> (333)
N/A

>  <Target> (333)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (333)
Free Base

>  <URL> (333)
http://www.selleckchem.com/products/KW-2449.html

>  <CAS Number> (333)
1000669-72-6

$$$$
raf265.cdx
csChFnd80/10101811552D

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Raf, VEGFR

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Free Base

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http://www.selleckchem.com/products/RAF265(CHIR-265).html

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927880-90-8

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N/A 

>  <Target> (335)
HDAC 

>  <Form> (335)
Chloride

>  <URL> (335)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

>  <CAS Number> (335)
732302-99-7

$$$$
Daphnetin.cdx
csChFnd80/10101811552D

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C9H6O4

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DNA/RNA Synthesis

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Free Base

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

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486-35-1

$$$$
AG14361.cdx
csChFnd80/10101811552D

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PARP

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Free Base

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http://www.selleckchem.com/products/AG14361.html

>  <CAS Number> (337)
328543-09-5

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677

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C23H25ClFN7O

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>  <Item Name> (338)
Gandotinib (LY2784544)

>  <Catalog Number> (338)
S2179

>  <Synonyms> (338)
N/A

>  <Target> (338)
JAK 

>  <Form> (338)
Free Base

>  <URL> (338)
http://www.selleckchem.com/products/LY2784544.html

>  <CAS Number> (338)
1229236-86-5

$$$$
Oxybutynin chloride.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (339)
681

>  <Formula> (339)
C22H32ClNO3

>  <MolWeight> (339)
393.94738

>  <Item Name> (339)
Oxybutynin chloride

>  <Catalog Number> (339)
S3117

>  <Synonyms> (339)
N/A 

>  <Target> (339)
AChR

>  <Form> (339)
Chloride

>  <URL> (339)
http://www.selleckchem.com/products/oxybutynin-chloride.html

>  <CAS Number> (339)
1508-65-2

$$$$
MLN9708.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (340)
682

>  <Formula> (340)
C20H23BCl2N2O9

>  <MolWeight> (340)
517.12162

>  <Item Name> (340)
Ixazomib Citrate (MLN9708)

>  <Catalog Number> (340)
S2181

>  <Synonyms> (340)
N/A

>  <Target> (340)
Proteasome

>  <Form> (340)
Free Base

>  <URL> (340)
http://www.selleckchem.com/products/MLN9708.html

>  <CAS Number> (340)
1201902-80-8

$$$$
SB743921.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (341)
683

>  <Formula> (341)
C31H34Cl2N2O3

>  <MolWeight> (341)
553.51926

>  <Item Name> (341)
SB743921 HCl

>  <Catalog Number> (341)
S2182 

>  <Synonyms> (341)
N/A

>  <Target> (341)
Kinesin

>  <Form> (341)
Hydrochloride

>  <URL> (341)
http://www.selleckchem.com/products/SB-743921.html

>  <CAS Number> (341)
940929-33-9

$$$$
Avasimibe.cdx
csChFnd80/10101811552D

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Pim

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Free Base

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c-Met, VEGFR

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http://www.selleckchem.com/products/BMS-794833.html

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1174046-72-0

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VEGFR, Src, Raf, Bcr-Abl

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http://www.selleckchem.com/products/NVP-BHG712.html

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940310-85-0

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OSI 420.cdx
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CP-473420 

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EGFR

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Hydrochloride

>  <URL> (349)
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183320-51-6

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900185-01-5 

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Aromatase 

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566-48-3

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Syk

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M  END
>  <Mol_ID> (354)
703

>  <Formula> (354)
C23H26F2N2O4

>  <MolWeight> (354)
432.4603464

>  <Item Name> (354)
DAPT (GSI-IX)

>  <Catalog Number> (354)
S2215 

>  <Synonyms> (354)
GSI-IX

>  <Target> (354)
Gamma-secretase, Beta Amyloid

>  <Form> (354)
Free Base

>  <URL> (354)
http://www.selleckchem.com/products/DAPT-GSI-IX.html

>  <CAS Number> (354)
208255-80-5

$$$$
Mubritinib.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (355)
704

>  <Formula> (355)
C25H23F3N4O2

>  <MolWeight> (355)
468.4709296

>  <Item Name> (355)
Mubritinib (TAK 165)

>  <Catalog Number> (355)
S2216

>  <Synonyms> (355)
TAK 165, TAK165

>  <Target> (355)
HER2

>  <Form> (355)
Free Base

>  <URL> (355)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

>  <CAS Number> (355)
366017-09-6

$$$$
irinotecan.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (356)
705

>  <Formula> (356)
C33H45ClN4O9

>  <MolWeight> (356)
677.1848

>  <Item Name> (356)
Irinotecan HCl Trihydrate (Campto)

>  <Catalog Number> (356)
S2217 

>  <Synonyms> (356)
CPT 11, Camptosar, Campto, Irinotecan 

>  <Target> (356)
Topoisomerase

>  <Form> (356)
HCl & trihydrat

>  <URL> (356)
http://www.selleckchem.com/products/Irinotecan-Hcl-Trihydrate-Campto.html

>  <CAS Number> (356)
136572-09-3

$$$$
PP442.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (357)
706

>  <Formula> (357)
C16H16N6O

>  <MolWeight> (357)
308.33784

>  <Item Name> (357)
Torkinib (PP242)

>  <Catalog Number> (357)
S2218

>  <Synonyms> (357)
TORKinib 

>  <Target> (357)
mTOR

>  <Form> (357)
Free Base

>  <URL> (357)
http://www.selleckchem.com/products/PP242.html

>  <CAS Number> (357)
1092351-67-1

$$$$
CYT 387.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (358)
707

>  <Formula> (358)
C23H22N6O2

>  <MolWeight> (358)
414.45978

>  <Item Name> (358)
Momelotinib (CYT387)

>  <Catalog Number> (358)
S2219

>  <Synonyms> (358)
CYT 11387 

>  <Target> (358)
JAK 

>  <Form> (358)
Free Base

>  <URL> (358)
http://www.selleckchem.com/products/Cyt387.html

>  <CAS Number> (358)
1056634-68-4

$$$$
SB 590885.cdx
csChFnd80/10101811552D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (359)
708

>  <Formula> (359)
C27H27N5O2

>  <MolWeight> (359)
453.53558

>  <Item Name> (359)
SB590885

>  <Catalog Number> (359)
S2220

>  <Synonyms> (359)
GSK2118436 

>  <Target> (359)
Raf

>  <Form> (359)
Free Base

>  <URL> (359)
http://www.selleckchem.com/products/SB590885.html

>  <CAS Number> (359)
405554-55-4 

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/10101811552D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (360)
710

>  <Formula> (360)
C22H18O11

>  <MolWeight> (360)
458.37172

>  <Item Name> (360)
(-)-Epigallocatechin gallate

>  <Catalog Number> (360)
S2250

>  <Synonyms> (360)
EGCG

>  <Target> (360)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (360)
Free Base

>  <URL> (360)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

>  <CAS Number> (360)
989-51-5

$$$$
(-)-Huperzine A.cdx
csChFnd80/10101811552D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  1  4  2  0  0  0  0
  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (361)
711

>  <Formula> (361)
C15H18N2O

>  <MolWeight> (361)
242.31622

>  <Item Name> (361)
(-)-Huperzine A (HupA)

>  <Catalog Number> (361)
S2251

>  <Synonyms> (361)
N/A

>  <Target> (361)
AChR & GluR

>  <Form> (361)
Free Base

>  <URL> (361)
http://www.selleckchem.com/products/(-)-Huperzine-A.html

>  <CAS Number> (361)
102518-79-6

$$$$
Apigenin.cdx
csChFnd80/10101811552D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (362)
718

>  <Formula> (362)
C15H10O5

>  <MolWeight> (362)
270.2369

>  <Item Name> (362)
Apigenin

>  <Catalog Number> (362)
S2262

>  <Synonyms> (362)
N/A

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P450

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Free Base

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

>  <CAS Number> (362)
520-36-5

$$$$
Asiatic acid.cdx
csChFnd80/10101811552D

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p38 MAPK

>  <Form> (363)
Free Base

>  <URL> (363)
http://www.selleckchem.com/products/Asiatic-acid.html

>  <CAS Number> (363)
464-92-6

$$$$
Baicalein.cdx
csChFnd80/10101811552D

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Baicalein

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S2268

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N/A

>  <Target> (364)
P450

>  <Form> (364)
Free Base

>  <URL> (364)
http://www.selleckchem.com/products/Baicalein.html

>  <CAS Number> (364)
491-67-8

$$$$
VX 765.cdx
csChFnd80/10101811552D

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>  <Target> (365)
Caspase

>  <Form> (365)
Free Base

>  <URL> (365)
http://www.selleckchem.com/products/VX-765.html

>  <CAS Number> (365)
273404-37-8

$$$$
Cryptotanshinone.cdx
csChFnd80/10101811552D

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STAT

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Free Base

>  <URL> (366)
http://www.selleckchem.com/products/Cryptotanshinone.html

>  <CAS Number> (366)
35825-57-1

$$$$
AMLODIPINE (amlodipine).cdx
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    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
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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
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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
  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
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 17 12  1  0  0  0  0
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 18 19  1  0  0  0  0
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M  END
>  <Mol_ID> (367)
737

>  <Formula> (367)
C20H25ClN2O5

>  <MolWeight> (367)
408.8759

>  <Item Name> (367)
Amlodipine (Norvasc)

>  <Catalog Number> (367)
S1905

>  <Synonyms> (367)
Istin, Norvasc, Caduet

>  <Target> (367)
Calcium Channel

>  <Form> (367)
Free Base

>  <URL> (367)
http://www.selleckchem.com/products/Amlodipine(Norvasc).html

>  <CAS Number> (367)
88150-42-9

$$$$
dihydroartemisinin.cdx
csChFnd80/10101811552D

 23 26  0  0  0  0  0  0  0  0999 V2000
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    2.4249    1.3951    0.0000 C   0  0  1  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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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
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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  5  1  0  0  0  0
  6 15  1  1  0  0  0
  5 16  1  1  0  0  0
 12 17  1  1  0  0  0
  8 18  1  1  0  0  0
  3 19  1  1  0  0  0
  7 20  1  6  0  0  0
 10 21  1  6  0  0  0
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 12 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (368)
740

>  <Formula> (368)
C15H24O5

>  <MolWeight> (368)
284.34806

>  <Item Name> (368)
Dihydroartemisinin (DHA)

>  <Catalog Number> (368)
S2290

>  <Synonyms> (368)
N/A 

>  <Target> (368)
Others

>  <Form> (368)
Free Base

>  <URL> (368)
http://www.selleckchem.com/products/Dihydroartemisinin(DHA).html

>  <CAS Number> (368)
71939-50-9

$$$$
10-Hydroxycamptothecin.cdx
csChFnd80/10101811552D

 27 31  0  0  0  0  0  0  0  0999 V2000
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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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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 13  2  0  0  0  0
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M  END
>  <Mol_ID> (369)
748

>  <Formula> (369)
C20H16N2O5

>  <MolWeight> (369)
364.35144

>  <Item Name> (369)
10-Hydroxycamptothecin

>  <Catalog Number> (369)
S2423 

>  <Synonyms> (369)
N/A 

>  <Target> (369)
Topoisomerase

>  <Form> (369)
Free Base

>  <URL> (369)
http://www.selleckchem.com/products/10-hydroxycamptothecin.html

>  <CAS Number> (369)
19685-09-7

$$$$
Glycyrrhizic acid.cdx
csChFnd80/10101811552D

 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
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   10.8993    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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752

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C42H62O16

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822.93208

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Glycyrrhizin (Glycyrrhizic Acid)

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S2302

>  <Synonyms> (370)
N/A

>  <Target> (370)
Others

>  <Form> (370)
Free Base

>  <URL> (370)
http://www.selleckchem.com/products/Glycyrrhizic-acid.html

>  <CAS Number> (370)
1405-86-3

$$$$
Tolbutamide.cdx
csChFnd80/10101811552D

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756

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C12H18N2O3S

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Tolbutamide

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S2443 

>  <Synonyms> (371)
N/A 

>  <Target> (371)
Potassium Channel 

>  <Form> (371)
Free Base

>  <URL> (371)
http://www.selleckchem.com/products/tolbutamide.html

>  <CAS Number> (371)
64-77-7

$$$$
Hesperetin.cdx
csChFnd80/10101811552D

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757

>  <Formula> (372)
C16H14O6

>  <MolWeight> (372)
302.27876

>  <Item Name> (372)
Hesperetin

>  <Catalog Number> (372)
S2308

>  <Synonyms> (372)
N/A

>  <Target> (372)
Histamine Receptor

>  <Form> (372)
Free Base

>  <URL> (372)
http://www.selleckchem.com/products/Hesperetin.html

>  <CAS Number> (372)
520-33-2

$$$$
Honokiol.cdx
csChFnd80/10101811552D

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759

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C18H18O2

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Honokiol

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S2310

>  <Synonyms> (373)
N/A

>  <Target> (373)
Akt, MEK

>  <Form> (373)
Free Base

>  <URL> (373)
http://www.selleckchem.com/products/Honokiol.html

>  <CAS Number> (373)
35354-74-6

$$$$
Icariin.cdx
csChFnd80/10101811552D

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761

>  <Formula> (374)
C33H40O15

>  <MolWeight> (374)
676.6617

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Icariin

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N/A

>  <Target> (374)
PDE

>  <Form> (374)
Free Base

>  <URL> (374)
http://www.selleckchem.com/products/Icariin.html

>  <CAS Number> (374)
489-32-7

$$$$
Limonin.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (375)
766

>  <Formula> (375)
C26H30O8

>  <MolWeight> (375)
470.5116

>  <Item Name> (375)
Limonin

>  <Catalog Number> (375)
S2319

>  <Synonyms> (375)
N/A

>  <Target> (375)
Others

>  <Form> (375)
Free Base

>  <URL> (375)
http://www.selleckchem.com/products/Limonin.html

>  <CAS Number> (375)
1180-71-8

$$$$
Luteolin.cdx
csChFnd80/10101811552D

 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
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M  END
>  <Mol_ID> (376)
767

>  <Formula> (376)
C15H10O6

>  <MolWeight> (376)
286.2363

>  <Item Name> (376)
Luteolin

>  <Catalog Number> (376)
S2320

>  <Synonyms> (376)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (376)
PDE

>  <Form> (376)
Free Base

>  <URL> (376)
http://www.selleckchem.com/products/Luteolin(Luteolol).html

>  <CAS Number> (376)
491-70-3 

$$$$
matrine.cdx
csChFnd80/10101811552D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
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  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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 13  6  1  0  0  0  0
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  5 22  1  6  0  0  0
M  END
>  <Mol_ID> (377)
769

>  <Formula> (377)
C15H24N2O

>  <MolWeight> (377)
248.36386

>  <Item Name> (377)
Matrine ((+)-Matrine)

>  <Catalog Number> (377)
S2322

>  <Synonyms> (377)
(+)-Matrine

>  <Target> (377)
Opioid Receptor

>  <Form> (377)
Free Base

>  <URL> (377)
http://www.selleckchem.com/products/Matrine((+)-Matrine).html

>  <CAS Number> (377)
519-02-8 

$$$$
Myricetin.cdx
csChFnd80/10101811552D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (378)
772

>  <Formula> (378)
C15H10O8

>  <MolWeight> (378)
318.2351

>  <Item Name> (378)
Myricetin (Cannabiscetin)

>  <Catalog Number> (378)
S2326

>  <Synonyms> (378)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (378)
NULL

>  <Form> (378)
Free Base

>  <URL> (378)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

>  <CAS Number> (378)
529-44-2

$$$$
Oridonin.cdx
csChFnd80/10101811552D

 28 32  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> (379)
779

>  <Formula> (379)
C20H28O6

>  <MolWeight> (379)
364.43272

>  <Item Name> (379)
Oridonin (Isodonol)

>  <Catalog Number> (379)
S2335

>  <Synonyms> (379)
Isodonol

>  <Target> (379)
Others

>  <Form> (379)
Free Base

>  <URL> (379)
http://www.selleckchem.com/products/Oridonin(Isodonol).html

>  <CAS Number> (379)
28957-04-2

$$$$
Parthenolide.cdx
csChFnd80/10101811552D

 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> (380)
784

>  <Formula> (380)
C15H20O3

>  <MolWeight> (380)
248.3175

>  <Item Name> (380)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (380)
S2341

>  <Synonyms> (380)
N/A 

>  <Target> (380)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (380)
Free Base

>  <URL> (380)
http://www.selleckchem.com/products/Parthenolide((-)-Parthenolide).html

>  <CAS Number> (380)
20554-84-1

$$$$
Dihydromyricetin.cdx
csChFnd80/10101811552D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  1  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 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
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (381)
794

>  <Formula> (381)
C15H12O8

>  <MolWeight> (381)
320.25098

>  <Item Name> (381)
Dihydromyricetin (Ampeloptin)

>  <Catalog Number> (381)
S2399

>  <Synonyms> (381)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (381)
Others

>  <Form> (381)
Free Base

>  <URL> (381)
http://www.selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

>  <CAS Number> (381)
27200-12-0

$$$$
Sodium Danshensu.cdx
csChFnd80/10101811552D

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.0160    2.2244    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (382)
796

>  <Formula> (382)
C9H9NaO5

>  <MolWeight> (382)
220.15453

>  <Item Name> (382)
Sodium Danshensu

>  <Catalog Number> (382)
S2401

>  <Synonyms> (382)
N/A

>  <Target> (382)
P450

>  <Form> (382)
Sodium Salt

>  <URL> (382)
http://www.selleckchem.com/products/Sodium-Danshensu.html

>  <CAS Number> (382)
67920-52-9

$$$$
Sophocarpine.cdx
csChFnd80/10101811552D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (383)
800

>  <Formula> (383)
C15H22N2O

>  <MolWeight> (383)
246.34798

>  <Item Name> (383)
Sophocarpine

>  <Catalog Number> (383)
S2405 

>  <Synonyms> (383)
N/A

>  <Target> (383)
Others

>  <Form> (383)
Free Base

>  <URL> (383)
http://www.selleckchem.com/products/Sophocarpine.html

>  <CAS Number> (383)
6483-15-4

$$$$
Chrysophanic acid.cdx
csChFnd80/10101811552D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (384)
801

>  <Formula> (384)
C15H10O4

>  <MolWeight> (384)
254.2375

>  <Item Name> (384)
Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (384)
S2406

>  <Synonyms> (384)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (384)
EGFR, mTOR

>  <Form> (384)
Free Base

>  <URL> (384)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (384)
481-74-3

$$$$
Amantadine HCl.cdx
csChFnd80/10101811552D

 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> (385)
803

>  <Formula> (385)
C10H18ClN

>  <MolWeight> (385)
187.70962

>  <Item Name> (385)
Amantadine hydrochloride (Symmetrel)

>  <Catalog Number> (385)
S2451

>  <Synonyms> (385)
Symmetrel

>  <Target> (385)
Dopamine Receptor

>  <Form> (385)
Hydrochloride

>  <URL> (385)
selleckchem.com/products/Amantadine-hydrochloride(Symmetrel).html

>  <CAS Number> (385)
665-66-7

$$$$
Amfebutamone HCl.cdx
csChFnd80/10101811552D

 17 16  0  0  0  0  0  0  0  0999 V2000
    6.0496    3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.9642    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.3594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6331    1.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (386)
804

>  <Formula> (386)
C13H19Cl2NO

>  <MolWeight> (386)
276.20206

>  <Item Name> (386)
Amfebutamone (Bupropion) HCl

>  <Catalog Number> (386)
S2452

>  <Synonyms> (386)
Wellbutrin, Zyban, Budeprion

>  <Target> (386)
Dopamine Receptor

>  <Form> (386)
Hydrochloride

>  <URL> (386)
http://www.selleckchem.com/products/Amfebutamone-hydrochloride(Bupropion).html

>  <CAS Number> (386)
31677-93-7

$$$$
Benserazide hydrochloride.cdx
csChFnd80/10101811552D

 19 18  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    6.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.8585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.1585    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9204    4.8585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.2585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5267    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  2  0  0  0  0
M  END
>  <Mol_ID> (387)
805

>  <Formula> (387)
C10H16ClN3O5

>  <MolWeight> (387)
293.70414

>  <Item Name> (387)
Benserazide HCl

>  <Catalog Number> (387)
S2453

>  <Synonyms> (387)
Ro-4-4602

>  <Target> (387)
Dopamine Receptor

>  <Form> (387)
Hydrochloride

>  <URL> (387)
selleckchem.com/products/Benserazide-hydrochloride(Serazide).html

>  <CAS Number> (387)
14919-77-8

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/10101811552D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.7455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (388)
806

>  <Formula> (388)
C18H29ClN2O

>  <MolWeight> (388)
324.88866

>  <Item Name> (388)
Bupivacaine hydrochloride (Marcain)

>  <Catalog Number> (388)
S2454

>  <Synonyms> (388)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (388)
Sodium Channel

>  <Form> (388)
Hydrochloride

>  <URL> (388)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

>  <CAS Number> (388)
18010-40-7

$$$$
Astragaloside A.cdx
csChFnd80/10101811552D

 58 65  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    8.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.9951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    9.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    9.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117   10.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4432    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2661    9.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4432   10.9278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4744    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    9.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3242    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3242    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5324    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   12.2546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6612    9.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058   12.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058   14.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   14.5199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0514   13.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6619   11.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4432   15.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3767   16.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0786   16.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0809   17.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0809    9.5755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5620    5.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9620    5.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  1  0  0  0
  4  8  1  1  0  0  0
  3  9  1  6  0  0  0
  1 10  1  6  0  0  0
 11  8  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 20 28  1  1  0  0  0
 14 28  1  1  0  0  0
 19 29  1  1  0  0  0
 22 30  1  1  0  0  0
 17 31  1  6  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 36 38  1  1  0  0  0
 34 39  1  1  0  0  0
 37 40  1  6  0  0  0
 35 41  1  6  0  0  0
 39 42  1  0  0  0  0
 21 43  1  6  0  0  0
 27 44  1  0  0  0  0
 26 45  1  1  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 44  1  0  0  0  0
 44 50  1  6  0  0  0
 48 51  1  1  0  0  0
 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
 51 54  1  0  0  0  0
 27 55  1  6  0  0  0
 13 56  1  6  0  0  0
 12 57  1  0  0  0  0
 12 58  1  0  0  0  0
M  END
>  <Mol_ID> (389)
807

>  <Formula> (389)
C41H68O14

>  <MolWeight> (389)
784.97022

>  <Item Name> (389)
Astragaloside A

>  <Catalog Number> (389)
S2415

>  <Synonyms> (389)
Cyclosiversioside F

>  <Target> (389)
Calcium Channel

>  <Form> (389)
Free Base

>  <URL> (389)
http://www.selleckchem.com/products/astragaloside-a.html

>  <CAS Number> (389)
83207-58-3

$$$$
Carbamyl-beta-methylcholine chloride.cdx
csChFnd80/10101811552D

 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> (390)
808

>  <Formula> (390)
C7H17ClN2O2

>  <MolWeight> (390)
196.67508

>  <Item Name> (390)
Bethanechol chloride

>  <Catalog Number> (390)
S2455

>  <Synonyms> (390)
N/A 

>  <Target> (390)
AChR

>  <Form> (390)
quaternary-N Chloride salt

>  <URL> (390)
selleckchem.com/products/Carbamyl-beta-methylcholine-chloride(Bethanechol-chloride).html

>  <CAS Number> (390)
590-63-6

$$$$
Chlorpromazine HCl.cdx
csChFnd80/10101811552D

 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> (391)
809

>  <Formula> (391)
C17H20Cl2N2S

>  <MolWeight> (391)
355.3251

>  <Item Name> (391)
Chlorpromazine HCl

>  <Catalog Number> (391)
S2456

>  <Synonyms> (391)
Sonazine

>  <Target> (391)
Dopamine Receptor, Potassium Channel

>  <Form> (391)
Hydrochloride

>  <URL> (391)
http://www.selleckchem.com/products/Chlorpromazine-hydrochloride(Sonazine).html

>  <CAS Number> (391)
69-09-0

$$$$
Clonidine HCl.cdx
csChFnd80/10101811552D

 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> (392)
810

>  <Formula> (392)
C9H10Cl3N3

>  <MolWeight> (392)
266.5548

>  <Item Name> (392)
Clonidine hydrochloride (Catapres)

>  <Catalog Number> (392)
S2458

>  <Synonyms> (392)
Catapres

>  <Target> (392)
Adrenergic Receptor

>  <Form> (392)
Hydrochloride

>  <URL> (392)
http://www.selleckchem.com/products/Clonidine-hydrochloride(Catapres).html

>  <CAS Number> (392)
4205-91-8

$$$$
Dehydroepiandrosterone.cdx
csChFnd80/10101811552D

 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> (393)
813

>  <Formula> (393)
C19H28O2

>  <MolWeight> (393)
288.42442

>  <Item Name> (393)
Dehydroepiandrosterone (DHEA)

>  <Catalog Number> (393)
S2604

>  <Synonyms> (393)
DHEA

>  <Target> (393)
Androgen Receptor

>  <Form> (393)
Free Base

>  <URL> (393)
http://www.selleckchem.com/products/Dehydroepiandrosterone(DHEA).html

>  <CAS Number> (393)
53-43-0

$$$$
Domperidone.cdx
csChFnd80/10101811552D

 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> (394)
814

>  <Formula> (394)
C22H24ClN5O2

>  <MolWeight> (394)
425.91126

>  <Item Name> (394)
Domperidone (Motilium)

>  <Catalog Number> (394)
S2461

>  <Synonyms> (394)
Motilium, Motillium, Motinorm, Costi 

>  <Target> (394)
Dopamine Receptor

>  <Form> (394)
Free Base

>  <URL> (394)
http://www.selleckchem.com/products/Domperidone(Motilium).html

>  <CAS Number> (394)
57808-66-9

$$$$
Donepezil HCl.cdx
csChFnd80/10101811552D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.7927    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1295    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4085    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2621    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.8041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    6.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2989    3.0259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8787    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8787    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9442    5.5606    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (395)
815

>  <Formula> (395)
C24H30ClNO3

>  <MolWeight> (395)
415.9529

>  <Item Name> (395)
Donepezil HCl (Aricept)

>  <Catalog Number> (395)
S2462

>  <Synonyms> (395)
N/A 

>  <Target> (395)
AChR

>  <Form> (395)
Hydrochloride

>  <URL> (395)
http://www.selleckchem.com/products/Donepezil-hydrochloride(Aricept).html

>  <CAS Number> (395)
120011-70-3

$$$$
Gallamine triethiodide.cdx
csChFnd80/10101811552D

 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
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M  END
>  <Mol_ID> (396)
820

>  <Formula> (396)
C30H60I3N3O3

>  <MolWeight> (396)
891.52911

>  <Item Name> (396)
Gallamine triethiodide (Flaxedil)

>  <Catalog Number> (396)
S2471

>  <Synonyms> (396)
Flaxedil

>  <Target> (396)
AChR

>  <Form> (396)
tri-quaternary-N iodide salt

>  <URL> (396)
http://www.selleckchem.com/products/Gallamine-triethiodide(Flaxedil).html

>  <CAS Number> (396)
65-29-2

$$$$
Hexestrol.cdx
csChFnd80/10101811552D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (397)
822

>  <Formula> (397)
C18H22O2

>  <MolWeight> (397)
270.36608

>  <Item Name> (397)
Hexestrol (Bibenzyl)

>  <Catalog Number> (397)
S2473

>  <Synonyms> (397)
Bibenzyl, Cycloestrol, Dihydro-stilbestro, Dihydrostilbestrol, Estra-Plex 

>  <Target> (397)
Estrogen/progestogen Receptor

>  <Form> (397)
Free Base

>  <URL> (397)
http://www.selleckchem.com/products/Hexestrol(Bibenzyl).html

>  <CAS Number> (397)
84-16-2

$$$$
Imatinib.cdx
csChFnd80/10101811552D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 14  7  1  0  0  0  0
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M  END
>  <Mol_ID> (398)
823

>  <Formula> (398)
C29H31N7O

>  <MolWeight> (398)
493.60274

>  <Item Name> (398)
Imatinib (STI571) 

>  <Catalog Number> (398)
S2475 

>  <Synonyms> (398)
STI571, Glivec

>  <Form> (398)
Free Base

>  <URL> (398)
http://www.selleckchem.com/products/Imatinib(STI571).html

>  <CAS Number> (398)
152459-95-5

$$$$
Loperamide HCl.cdx
csChFnd80/10101811552D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (399)
825

>  <Formula> (399)
C29H34Cl2N2O2

>  <MolWeight> (399)
513.49846

>  <Item Name> (399)
Loperamide hydrochloride

>  <Catalog Number> (399)
S2480

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Hydrochloride

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>  <CAS Number> (399)
34552-83-5

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Src

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Free Base

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FXR

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629664-81-9

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Aurora Kinase

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945595-80-2

$$$$
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ATPase

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78415-72-2

$$$$
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105816-04-4

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    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7079    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4429    0.6951    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (408)
843

>  <Formula> (408)
C12H19BrN2O2

>  <MolWeight> (408)
303.19546

>  <Item Name> (408)
Neostigmine bromide (Prostigmin)

>  <Catalog Number> (408)
S2490

>  <Synonyms> (408)
Prostigmin, Vagostigmin

>  <Target> (408)
AChR

>  <Form> (408)
Bromide

>  <URL> (408)
http://www.selleckchem.com/products/Neostigmine-bromide(Prostigmin).html

>  <CAS Number> (408)
114-80-7

$$$$
Nitrendipine.cdx
csChFnd80/10101811552D

 26 27  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  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
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 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
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 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <Mol_ID> (409)
844

>  <Formula> (409)
C18H20N2O6

>  <MolWeight> (409)
360.3612

>  <Item Name> (409)
Nitrendipine

>  <Catalog Number> (409)
S2491

>  <Synonyms> (409)
N/A

>  <Target> (409)
Calcium Channel

>  <Form> (409)
Free Base

>  <URL> (409)
http://www.selleckchem.com/products/Nitrendipine.html

>  <CAS Number> (409)
39562-70-4

$$$$
Olopatadine HCl.cdx
csChFnd80/10101811552D

 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
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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  1  0  0  0  0
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 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
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 16  4  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (410)
847

>  <Formula> (410)
C21H24ClNO3

>  <MolWeight> (410)
373.87316

>  <Item Name> (410)
Olopatadine hydrochloride (Opatanol)

>  <Catalog Number> (410)
S2494

>  <Synonyms> (410)
Opatanol, Pataday, Patanase, Allelock 

>  <Target> (410)
Histamine Receptor

>  <Form> (410)
Hydrochloride

>  <URL> (410)
http://www.selleckchem.com/products/Olopatadine-hydrochloride(Opatanol).html

>  <CAS Number> (410)
140462-76-6

$$$$
Ozagrel.cdx
csChFnd80/10101811552D

 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
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    8.2653    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (411)
849

>  <Formula> (411)
C13H12N2O2

>  <MolWeight> (411)
228.24658

>  <Item Name> (411)
Ozagrel

>  <Catalog Number> (411)
S2496

>  <Synonyms> (411)
OKY 046 

>  <Target> (411)
Factor Xa

>  <Form> (411)
Free Base

>  <URL> (411)
http://www.selleckchem.com/products/Ozagrel.html

>  <CAS Number> (411)
82571-53-7

$$$$
GSK2126458.cdx
csChFnd80/10101811552D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (412)
851

>  <Formula> (412)
C25H17F2N5O3S

>  <MolWeight> (412)
505.4959864

>  <Item Name> (412)
Omipalisib (GSK2126458, GSK458)

>  <Catalog Number> (412)
S2658

>  <Synonyms> (412)
N/A 

>  <Target> (412)
PI3K, mTOR

>  <Form> (412)
Free Base

>  <URL> (412)
http://www.selleckchem.com/products/gsk2126458.html

>  <CAS Number> (412)
1086062-66-9 

$$$$
Racecadotril.cdx
csChFnd80/10101811552D

 27 28  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7951    0.0000 O   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
    6.0496    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4660    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    6.2927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  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
 19 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (413)
853

>  <Formula> (413)
C21H23NO4S

>  <MolWeight> (413)
385.47662

>  <Item Name> (413)
Racecadotril (Acetorphan)

>  <Catalog Number> (413)
S2503

>  <Synonyms> (413)
Acetorphan

>  <Target> (413)
Opioid Receptor

>  <Form> (413)
Free Base

>  <URL> (413)
http://www.selleckchem.com/products/Racecadotril(Acetorphan).html

>  <CAS Number> (413)
81110-73-8

$$$$
Salbutamol sulfate.cdx
csChFnd80/10101811552D

 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> (414)
856

>  <Formula> (414)
C13H23NO7S

>  <MolWeight> (414)
337.38922

>  <Item Name> (414)
Salbutamol sulfate (Albuterol)

>  <Catalog Number> (414)
S2507

>  <Synonyms> (414)
Albuterol, Ventolin, Aerolin, Ventorlin, Asthalin, Asthavent

>  <Target> (414)
Adrenergic Receptor

>  <Form> (414)
Sulfate

>  <URL> (414)
http://www.selleckchem.com/products/Salbutamol-sulfate(Albuterol).html

>  <CAS Number> (414)
51022-70-9

$$$$
Scopolamine hydrobromide.cdx
csChFnd80/10101811552D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0387    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0387    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470    2.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8305    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4552    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2470    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4552    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6676    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8801    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8801    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6676    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4552    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998    5.4492    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7970    4.9375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3953    6.2032    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6783    6.7619    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0998    8.2131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9638    6.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    4.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6638    4.9957    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6683    7.7519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953    7.4157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0970    3.7251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    9.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    4.0541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5340    6.9076    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  1  0  0  0
  6  7  1  0  0  0  0
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  5  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 20  1  1  6  0  0  0
 16 21  1  6  0  0  0
 15 22  1  6  0  0  0
 14 23  1  6  0  0  0
 15 24  1  0  0  0  0
 24 14  1  0  0  0  0
 17 25  1  0  0  0  0
 13 26  1  1  0  0  0
M  END
>  <Mol_ID> (415)
857

>  <Formula> (415)
C17H22BrNO4

>  <MolWeight> (415)
384.26488

>  <Item Name> (415)
Scopolamine hydrobromide

>  <Catalog Number> (415)
S2508

>  <Synonyms> (415)
N/A

>  <Target> (415)
AChR

>  <Form> (415)
Hydrobromide

>  <URL> (415)
http://www.selleckchem.com/products/Scopolamine-hydrobromide.html

>  <CAS Number> (415)
114-49-8

$$$$
Sotalol HCl.cdx
csChFnd80/10101811552D

 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> (416)
858

>  <Formula> (416)
C12H21ClN2O3S

>  <MolWeight> (416)
308.82474

>  <Item Name> (416)
Sotalol HCl

>  <Catalog Number> (416)
S2509

>  <Synonyms> (416)
Sotalex

>  <Target> (416)
Adrenergic Receptor

>  <Form> (416)
Hydrochloride

>  <URL> (416)
http://www.selleckchem.com/products/Sotalol-hydrochloride(Betapace).html

>  <CAS Number> (416)
959-24-0

$$$$
Sulfadoxine.cdx
csChFnd80/10101811552D

 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> (417)
860

>  <Formula> (417)
C12H14N4O4S

>  <MolWeight> (417)
310.32896

>  <Item Name> (417)
Sulfadoxine (Sulphadoxine)

>  <Catalog Number> (417)
S2511

>  <Synonyms> (417)
Sulphadoxine

>  <Target> (417)
Antifection

>  <Form> (417)
Free Base

>  <URL> (417)
http://www.selleckchem.com/products/Sulfadoxine(Sulphadoxine).html

>  <CAS Number> (417)
2447-57-6

$$$$
Vardenafil hydrochloride trihydrate.cdx
csChFnd80/10101811552D

 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
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   12.1222    4.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9098    5.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3304    5.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  9  1  0  0  0  0
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 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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  9 16  2  0  0  0  0
  9 17  2  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 18  1  0  0  0  0
 25 27  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 24  2  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (418)
862

>  <Formula> (418)
C23H39ClN6O7S

>  <MolWeight> (418)
579.10976

>  <Item Name> (418)
Vardenafil Hydrochloride Trihydrate (Vivanza

>  <Catalog Number> (418)
S2515

>  <Synonyms> (418)
Levitra 

>  <Target> (418)
PDE

>  <Form> (418)
Hydrochloride trihydrate

>  <URL> (418)
http://www.selleckchem.com/products/Vardenafil(Vivanza).html

>  <CAS Number> (418)
224785-90-4

$$$$
Maprotiline hydrochloride.cdx
csChFnd80/10101811552D

 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
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    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
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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
  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> (419)
863

>  <Formula> (419)
C20H24ClN

>  <MolWeight> (419)
313.86426

>  <Item Name> (419)
Maprotiline hydrochloride

>  <Catalog Number> (419)
S2517

>  <Synonyms> (419)
Deprilept, Ludiomil, Psymion

>  <Target> (419)
Reuptake inhibitor

>  <Form> (419)
Hydrochloride

>  <URL> (419)
http://www.selleckchem.com/products/Maprotiline-hydrochloride.html

>  <CAS Number> (419)
10347-81-6

$$$$
Naphazoline hydrochloride.cdx
csChFnd80/10101811552D

 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
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    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
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    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> (420)
864

>  <Formula> (420)
C14H15ClN2

>  <MolWeight> (420)
246.7353

>  <Item Name> (420)
Naphazoline hydrochloride (Naphcon)

>  <Catalog Number> (420)
S2519

>  <Synonyms> (420)
Naphcon, Albalon

>  <Target> (420)
Adrenergic Receptor

>  <Form> (420)
Hydrochloride

>  <URL> (420)
http://www.selleckchem.com/products/Naphazoline-hydrochloride-Naphcon.html

>  <CAS Number> (420)
550-99-2

$$$$
Epinephrine bitartrate.cdx
csChFnd80/10101811552D

 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
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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
  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> (421)
865

>  <Formula> (421)
C13H19NO9

>  <MolWeight> (421)
333.29126

>  <Item Name> (421)
Epinephrine bitartrate (Adrenalinium)

>  <Catalog Number> (421)
S2521

>  <Synonyms> (421)
D02149, Adrenalinetartrate, Adrenaline tatrate, Epinephrine Acid Tartrate 

>  <Target> (421)
Adrenergic Receptor

>  <Form> (421)
tartrate

>  <URL> (421)
http://www.selleckchem.com/products/Epinephrine-bitartrate-Adrenalinium.html

>  <CAS Number> (421)
51-42-3

$$$$
L-Adrenaline.cdx
csChFnd80/10101811552D

 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> (422)
866

>  <Formula> (422)
C9H13NO3

>  <MolWeight> (422)
183.20442

>  <Item Name> (422)
L-Adrenaline (Epinephrine)

>  <Catalog Number> (422)
S2522

>  <Synonyms> (422)
Adrenaline, d-Adrenaline, Adnephrine, Adrenalin, Chelafrin, Epinefrina, Epinephran, Epirenan, Exadri 

>  <Target> (422)
Adrenergic Receptor

>  <Form> (422)
Free Base

>  <URL> (422)
http://www.selleckchem.com/products/L-Adrenaline-Epinephrine.html

>  <CAS Number> (422)
51-43-4

$$$$
Phenytoin sodium.cdx
csChFnd80/10101811552D

 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
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    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> (423)
867

>  <Formula> (423)
C15H11N2NaO2

>  <MolWeight> (423)
274.24981

>  <Item Name> (423)
Phenytoin sodium (Dilantin)

>  <Catalog Number> (423)
S2524

>  <Synonyms> (423)
Aleviatin, Diphenylhydantoin sodium, Eptoin, Phenytoin soluble, Prompt; Phenytek 

>  <Target> (423)
Sodium Channel

>  <Form> (423)
Sodium Salt

>  <URL> (423)
http://www.selleckchem.com/products/Phenytoin-sodium-Dilantin.html

>  <CAS Number> (423)
630-93-3

$$$$
Dopamine hydrochloride.cdx
csChFnd80/10101811552D

 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> (424)
871

>  <Formula> (424)
C8H12ClNO2

>  <MolWeight> (424)
189.63938

>  <Item Name> (424)
Dopamine hydrochloride (Inotropin)

>  <Catalog Number> (424)
S2529

>  <Synonyms> (424)
ASL 279, Cardiosteril, Dopamine Fresenius, Dopastat, Intropin, Rascordin, Revivan, Tensamin 

>  <Target> (424)
Dopamine Receptor

>  <Form> (424)
Hydrochloride 

>  <URL> (424)
http://www.selleckchem.com/products/Dopamine-hydrochloride-Inotropin.html

>  <CAS Number> (424)
62-31-7

$$$$
Asaraldehyde.cdx
csChFnd80/10101811552D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (425)
873

>  <Formula> (425)
C10H12O4

>  <MolWeight> (425)
196.19988

>  <Item Name> (425)
Asaraldehyde (Asaronaldehyde)

>  <Catalog Number> (425)
S2531

>  <Synonyms> (425)
Asaronaldehyde, Asarylaldehyde, NSC 89299 

>  <Target> (425)
COX

>  <Form> (425)
Free Base

>  <URL> (425)
http://www.selleckchem.com/products/Asaraldehyde-Asaronaldehyde.html

>  <CAS Number> (425)
4460-86-0 

$$$$
Ritodrine hydrochloride.cdx
csChFnd80/10101811552D

 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> (426)
875

>  <Formula> (426)
C17H22ClNO3

>  <MolWeight> (426)
323.81448

>  <Item Name> (426)
Ritodrine hydrochloride (Yutopar)

>  <Catalog Number> (426)
S2533

>  <Synonyms> (426)
DU 21220; Miolene; NSC 291565

>  <Target> (426)
Adrenergic Receptor

>  <Form> (426)
Hydrochloride

>  <URL> (426)
www.selleckchem.com/products/Ritodrine-hydrochloride-Yutopar.html

>  <CAS Number> (426)
23239-51-2

$$$$
untitled.cdx
csChFnd80/10101811552D

 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
    2.7976    4.8801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
   18.6991    6.7035    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
  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  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
 20 21  1  0  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  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> (427)
880

>  <Formula> (427)
C19H18ClN3O5S

>  <MolWeight> (427)
435.88132

>  <Item Name> (427)
Rivaroxaban (Xarelto)

>  <Catalog Number> (427)
S3002

>  <Synonyms> (427)
N/A 

>  <Target> (427)
Factor Xa

>  <Form> (427)
Free Base

>  <URL> (427)
http://www.selleckchem.com/products/Rivaroxaban.html

>  <CAS Number> (427)
366789-02-8

$$$$
fty720.cdx
csChFnd80/10101811552D

 23 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7079    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5577    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    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
  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  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
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (428)
881

>  <Formula> (428)
C19H34ClNO2

>  <MolWeight> (428)
343.93176

>  <Item Name> (428)
Fingolimod (FTY720) HCl

>  <Catalog Number> (428)
S5002

>  <Synonyms> (428)
Gilenia 

>  <Target> (428)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (428)
Hydrochloride

>  <URL> (428)
http://www.selleckchem.com/products/FTY720.html

$$$$
untitled.cdx
csChFnd80/10101811552D

 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
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   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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M  END
>  <Mol_ID> (429)
885

>  <Formula> (429)
C15H9FN2O3

>  <MolWeight> (429)
284.2419632

>  <Item Name> (429)
PTC124 (Ataluren)

>  <Catalog Number> (429)
S6003

>  <Synonyms> (429)
N/A 

>  <Target> (429)
CFTR

>  <Form> (429)
Free Base

>  <URL> (429)
http://www.selleckchem.com/products/PTC124.html

>  <CAS Number> (429)
775304-57-9

$$$$
untitled.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (430)
886

>  <Formula> (430)
C19H12F4N4O2

>  <MolWeight> (430)
404.3177928

>  <Item Name> (430)
VX-702

>  <Catalog Number> (430)
S6005

>  <Synonyms> (430)
N/A

>  <Target> (430)
p38 MAPK 

>  <Form> (430)
Free Base

>  <URL> (430)
http://www.selleckchem.com/products/VX-702.html

>  <CAS Number> (430)
745833-23-2

$$$$
NUTRESTORE (glutamine).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (431)
887

>  <Formula> (431)
C5H10N2O3

>  <MolWeight> (431)
146.1445

>  <Item Name> (431)
L-Glutamine

>  <Catalog Number> (431)
S1749

>  <Synonyms> (431)
N/A

>  <Target> (431)
Others

>  <Form> (431)
Free Base

>  <URL> (431)
http://www.selleckchem.com/products/Glutamine.html

>  <CAS Number> (431)
56-85-9

$$$$
CP-690550 citrate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (432)
888

>  <Formula> (432)
C22H28N6O8

>  <MolWeight> (432)
504.49312

>  <Item Name> (432)
Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (432)
S5001

>  <Synonyms> (432)
N/A 

>  <Target> (432)
JAK

>  <Form> (432)
Citrate

>  <URL> (432)
http://www.selleckchem.com/products/CP-690550.html

>  <CAS Number> (432)
540737-29-9

$$$$
Toremifene Citrate.cdx
csChFnd80/10101811552D

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870281-82-6

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755038-65-4

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>  <Mol_ID> (437)
894

>  <Formula> (437)
C14H22N4O4S

>  <MolWeight> (437)
342.41388

>  <Item Name> (437)
TAME

>  <Catalog Number> (437)
S2225 

>  <Synonyms> (437)
N/A

>  <Target> (437)
APC

>  <Form> (437)
Free Base

>  <URL> (437)
http://www.selleckchem.com/products/TAME.html

>  <CAS Number> (437)
901-47-3

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (438)
895

>  <Formula> (438)
C20H16ClN5O3

>  <MolWeight> (438)
409.82574

>  <Item Name> (438)
Telatinib (BAY 57-9352)

>  <Catalog Number> (438)
S2231

>  <Synonyms> (438)
N/A 

>  <Target> (438)
VEGFR, PDGFR, c-Kit

>  <Form> (438)
Free Base

>  <URL> (438)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

>  <CAS Number> (438)
332012-40-5

$$$$
Lomefloxacin hydrochloride.cdx
csChFnd80/10101811552D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (439)
897

>  <Formula> (439)
C17H20ClF2N3O3

>  <MolWeight> (439)
387.8088064

>  <Item Name> (439)
Lomefloxacin hydrochloride (Maxaquin)

>  <Catalog Number> (439)
S2539

>  <Synonyms> (439)
Maxaquin, Okacyn, Uniquin

>  <Target> (439)
Antifection

>  <Form> (439)
Hydrochloride 

>  <URL> (439)
http://www.selleckchem.com/products/Lomefloxacin-hydrochloride-Maxaquin.html

>  <CAS Number> (439)
98079-52-8

$$$$
Phenformin hydrochloride.cdx
csChFnd80/10101811552D

 16 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (440)
902

>  <Formula> (440)
C10H16ClN5

>  <MolWeight> (440)
241.72054

>  <Item Name> (440)
Phenformin hydrochloride 

>  <Catalog Number> (440)
S2542

>  <Synonyms> (440)
N/A

>  <Target> (440)
AMPK

>  <Form> (440)
Hydrochloride 

>  <URL> (440)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

>  <CAS Number> (440)
834-28-6

$$$$
AZD5438.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (441)
905

>  <Formula> (441)
C18H21N5O2S

>  <MolWeight> (441)
371.45664

>  <Item Name> (441)
AZD5438

>  <Catalog Number> (441)
S2621

>  <Synonyms> (441)
N/A 

>  <Target> (441)
CDK

>  <Form> (441)
Free Base

>  <URL> (441)
http://www.selleckchem.com/products/AZD5438.html

>  <CAS Number> (441)
602306-29-6 

$$$$
CK-1827452.cdx
csChFnd80/10101811552D

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Omecamtiv mecarbil (CK-1827452)

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S2623

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CK-1827452, CK1827452 

>  <Target> (442)
ATPase

>  <Form> (442)
Free Base

>  <URL> (442)
http://www.selleckchem.com/products/Omecamtiv-mecarbil-CK-1827452.html

>  <CAS Number> (442)
873697-71-3

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C26H41N3O5

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Proteasome

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Free Base

>  <URL> (443)
http://www.selleckchem.com/products/MG132.html

>  <CAS Number> (443)
133407-82-6 

$$$$
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>  <Target> (444)
mTOR

>  <Form> (444)
Free Base

>  <URL> (444)
http://www.selleckchem.com/products/OSI027.html

>  <CAS Number> (444)
936890-98-1

$$$$
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DNA-PK, mTOR, PDGF

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>  <URL> (445)
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>  <CAS Number> (445)
1092788-83-4

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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 16 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 16  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (446)
912

>  <Formula> (446)
C19H18BrN3O

>  <MolWeight> (446)
384.26972

>  <Item Name> (446)
Degrasyn (WP1130)

>  <Catalog Number> (446)
S2243

>  <Synonyms> (446)
N/A

>  <Target> (446)
DUB, Bcr-Abl

>  <Form> (446)
Free Base

>  <URL> (446)
http://www.selleckchem.com/products/WP1130.html

>  <CAS Number> (446)
856243-80-6

$$$$
Clomifene citrate.cdx
csChFnd80/10101811552D

 42 43  0  0  0  0  0  0  0  0999 V2000
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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
    3.6373    2.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   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
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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
   18.0495    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2166    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6330    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4248    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8412    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9954    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 10 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 31 38  2  0  0  0  0
 33 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 33 42  1  0  0  0  0
M  END
>  <Mol_ID> (447)
913

>  <Formula> (447)
C32H36ClNO8

>  <MolWeight> (447)
598.08314

>  <Item Name> (447)
Clomifene citrate (Serophene)

>  <Catalog Number> (447)
S2561

>  <Synonyms> (447)
Clomid, Serophene, Milophene

>  <Target> (447)
Estrogen/progestogen Receptor

>  <Form> (447)
Citrate

>  <URL> (447)
http://www.selleckchem.com/products/Clomifene-citrate-Serophene.html

>  <CAS Number> (447)
50-41-9

$$$$
Hydralazine hydrochloride.cdx
csChFnd80/10101811552D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    3.6373    0.7000    0.0000 N   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
    4.8455    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2181    2.7854    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  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (448)
917

>  <Formula> (448)
C8H9ClN4

>  <MolWeight> (448)
196.63686

>  <Item Name> (448)
Hydralazine hydrochloride

>  <Catalog Number> (448)
S2562

>  <Synonyms> (448)
Apresoline

>  <Target> (448)
Others

>  <Form> (448)
Hydrochloride

>  <URL> (448)
http://www.selleckchem.com/products/Hydralazine-hydrochloride.html

>  <CAS Number> (448)
304-20-1

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/10101811552D

 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
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    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
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  5  9  1  0  0  0  0
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  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
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (449)
918

>  <Formula> (449)
C11H18ClNO3

>  <MolWeight> (449)
247.71852

>  <Item Name> (449)
Isoprenaline hydrochloride

>  <Catalog Number> (449)
S2566

>  <Synonyms> (449)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (449)
Adrenergic Receptor

>  <Form> (449)
Hydrochloride

>  <URL> (449)
http://www.selleckchem.com/products/Isoprenaline-hydrochloride.html

>  <CAS Number> (449)
51-30-9

$$$$
BKM-120.cdx
csChFnd80/10101811552D

 29 32  0  0  0  0  0  0  0  0999 V2000
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    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   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
    1.2124    4.8927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5951    0.0000 F   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
    7.2662    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
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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 O   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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  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
  8 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  8  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 18 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 18  1  0  0  0  0
M  END
>  <Mol_ID> (450)
920

>  <Formula> (450)
C18H21F3N6O2

>  <MolWeight> (450)
410.3935496

>  <Item Name> (450)
BKM120 (NVP-BKM120)

>  <Catalog Number> (450)
S2247 

>  <Synonyms> (450)
N/A 

>  <Target> (450)
PI3K

>  <Form> (450)
Free Base

>  <URL> (450)
http://www.selleckchem.com/products/BKM-120.html

>  <CAS Number> (450)
944396-07-0

$$$$
CX-4945.cdx
csChFnd80/10101811552D

 25 28  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 N   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
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    2.4249    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    8.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   10.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.6903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    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
  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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N/A 

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PKC

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Free Base

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http://www.selleckchem.com/products/cx-4945-silmitasertib.html

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1009820-21-6

$$$$
GW3965 hydrochloride.cdx
csChFnd80/10101811552D

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C33H32Cl2F3NO3

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GW3965 HCl

>  <Catalog Number> (452)
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>  <Synonyms> (452)
GW-3965

>  <Target> (452)
Liver X Receptor

>  <Form> (452)
hydrochloride

>  <URL> (452)
http://www.selleckchem.com/products/gw3965.html

>  <CAS Number> (452)
405911-17-3

$$$$
LY2157299.cdx
csChFnd80/10101811552D

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926

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C22H19N5O

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>  <Item Name> (453)
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>  <Synonyms> (453)
N/A 

>  <Target> (453)
TGF-beta/Smad

>  <Form> (453)
Free Base

>  <URL> (453)
http://www.selleckchem.com/products/ly2157299.html

>  <CAS Number> (453)
700874-72-2

$$$$
PK-1587.cdx
csChFnd80/10101811552D

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>  <Item Name> (454)
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N/A 

>  <Target> (454)
mTOR, PI3K

>  <Form> (454)
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>  <URL> (454)
http://www.selleckchem.com/products/pki587.html

>  <CAS Number> (454)
1197160-78-3

$$$$
TAK733.cdx
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741713-40-6

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IGF-1R

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http://www.selleckchem.com/products/BMS-754807.html

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Cannabinoid Receptor

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Free Base

>  <URL> (481)
http://www.selleckchem.com/products/AM-1241.html

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444912-48-5

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GSK-3

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Free Base

>  <URL> (482)
http://www.selleckchem.com/products/TWS119.html

>  <CAS Number> (482)
601514-19-6

$$$$
Apatinib.cdx
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>  <URL> (483)
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811803-05-1

$$$$
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Chk

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N/A

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Antifection

>  <Form> (487)
Sulfate

>  <URL> (487)
http://www.selleckchem.com/products/Neomycin-sulfate.html

>  <CAS Number> (487)
1405-10-3

$$$$
Clinofbrate.cdx
csChFnd80/10101811552D

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C28H36O6

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468.58184

>  <Item Name> (488)
Clinofibrate

>  <Catalog Number> (488)
S2664

>  <Synonyms> (488)
Lipoclin

>  <Target> (488)
RAAS

>  <Form> (488)
Free Base

>  <URL> (488)
http://www.selleckchem.com/products/clinofibrate.html

>  <CAS Number> (488)
30299-08-2

$$$$
GSK1120212.cdx
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>  <Mol_ID> (489)
975

>  <Formula> (489)
C26H23FIN5O4

>  <MolWeight> (489)
615.3947932

>  <Item Name> (489)
GSK1120212 (Trametinib)

>  <Catalog Number> (489)
S2673

>  <Synonyms> (489)
GSK212 

>  <Target> (489)
MEK 

>  <Form> (489)
Free Base

>  <URL> (489)
http://www.selleckchem.com/products/gsk1120212-(jtp-74057).html

>  <CAS Number> (489)
871700-17-3

$$$$
ICG001.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (490)
976

>  <Formula> (490)
C33H32N4O4

>  <MolWeight> (490)
548.63158

>  <Item Name> (490)
ICG-001

>  <Catalog Number> (490)
S2662 

>  <Synonyms> (490)
N/A

>  <Target> (490)
Wnt/beta-catenin

>  <Form> (490)
Free Base

>  <URL> (490)
http://www.selleckchem.com/products/icg-001.html

>  <CAS Number> (490)
780757-88-2

$$$$
PF3845.cdx
csChFnd80/10101811552D

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HSP

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908115-27-5

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Opioid Receptor

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Hydrochloride

>  <URL> (493)
http://www.selleckchem.com/products/ADL-5859.html

>  <CAS Number> (493)
850173-95-4

$$$$
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PPAR

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Free Base

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>  <CAS Number> (494)
52214-84-3

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477575-56-7

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>  <Target> (496)
HSP

>  <Form> (496)
Free Base

>  <URL> (496)
http://www.selleckchem.com/products/geldanamycin.html

>  <CAS Number> (496)
30562-34-6

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A769662.cdx
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AMPK

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http://www.selleckchem.com/products/a-769662.html

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844499-71-4

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M  END
>  <Mol_ID> (506)
998

>  <Formula> (506)
C15H19N7O3S

>  <MolWeight> (506)
377.42146

>  <Item Name> (506)
CH5132799

>  <Catalog Number> (506)
S2699

>  <Synonyms> (506)
N/A

>  <Target> (506)
PI3K, mTOR

>  <Form> (506)
Free Base

>  <URL> (506)
http://www.selleckchem.com/products/ch5132799.html

>  <CAS Number> (506)
1007207-67-1

$$$$
GDC 0980.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (507)
999

>  <Formula> (507)
C23H30N8O3S

>  <MolWeight> (507)
498.6011

>  <Item Name> (507)
Apitolisib (GDC-0980, RG7422)

>  <Catalog Number> (507)
S2696 

>  <Synonyms> (507)
N/A 

>  <Target> (507)
mTOR, PI3K

>  <Form> (507)
Free Base

>  <URL> (507)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

>  <CAS Number> (507)
1032754-93-0

$$$$
Nepicastat hydrochloride.cdx
csChFnd80/10101811552D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (508)
1000

>  <Formula> (508)
C14H16ClF2N3S

>  <MolWeight> (508)
331.8117464

>  <Item Name> (508)
Nepicastat hydrochloride

>  <Catalog Number> (508)
S2695

>  <Synonyms> (508)
SYN117

>  <Target> (508)
Hydroxylase

>  <Form> (508)
Hydrochloride

>  <URL> (508)
http://www.selleckchem.com/products/nepicastat-hydrochloride.html

>  <CAS Number> (508)
170151-24-3

$$$$
CARVEDILOL (carvedilol).cdx
csChFnd80/10101811552D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (509)
1003

>  <Formula> (509)
C24H26N2O4

>  <MolWeight> (509)
406.47424

>  <Item Name> (509)
Carvedilol

>  <Catalog Number> (509)
S1831

>  <Synonyms> (509)
Coreg, Dilatrend

>  <Target> (509)
Adrenergic Receptor

>  <Form> (509)
Free Base

>  <URL> (509)
http://www.selleckchem.com/products/carvedilol.html

>  <CAS Number> (509)
72956-09-3

$$$$
Phenylephrine hydrochloride.cdx
csChFnd80/10101811552D

 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
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M  END
>  <Mol_ID> (510)
1005

>  <Formula> (510)
C9H14ClNO2

>  <MolWeight> (510)
203.66596

>  <Item Name> (510)
Phenylephrine hydrochloride

>  <Catalog Number> (510)
S2569

>  <Synonyms> (510)
N/A

>  <Target> (510)
Adrenergic Receptor

>  <Form> (510)
Hydrochloride

>  <URL> (510)
http://www.selleckchem.com/products/Phenylephrine-hydrochloride.html

>  <CAS Number> (510)
61-76-7

$$$$
ADONITOL.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (511)
1008

>  <Formula> (511)
C5H12O5

>  <MolWeight> (511)
152.14578

>  <Item Name> (511)
Ribitol (Adonitol)

>  <Catalog Number> (511)
S2612 

>  <Synonyms> (511)
Adonite 
)

>  <Target> (511)
Antifection

>  <Form> (511)
Free Base

>  <URL> (511)
http://www.selleckchem.com/products/ribitol-adonitol.html

>  <CAS Number> (511)
488-81-3 

$$$$
NU-7441(KU-57788).cdx
csChFnd80/10101811552D

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C25H19NO3S

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N/A 

>  <Target> (512)
DNA-PK, PI3K

>  <Form> (512)
Free Base

>  <URL> (512)
http://www.selleckchem.com/products/nu7441.html

>  <CAS Number> (512)
503468-95-9 

$$$$
SCH 900776.cdx
csChFnd80/10101811552D

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C15H18BrN7

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S2735

>  <Synonyms> (513)
N/A

>  <Target> (513)
CHK

>  <Form> (513)
Free Base

>  <URL> (513)
http://www.selleckchem.com/products/sch-900776.html

>  <CAS Number> (513)
891494-63-6

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (514)
1013

>  <Formula> (514)
C21H21Cl2NO5

>  <MolWeight> (514)
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>  <Item Name> (514)
Flavopiridol (Alvocidib) HCl

>  <Catalog Number> (514)
S2679

>  <Synonyms> (514)
N/A

>  <Target> (514)
CDK

>  <Form> (514)
Hydrochloride

>  <URL> (514)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

>  <CAS Number> (514)
131740-09-5

$$$$
PH797804.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (515)
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>  <Formula> (515)
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>  <Item Name> (515)
PH-797804

>  <Catalog Number> (515)
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>  <Synonyms> (515)
N/A

>  <Target> (515)
p38 MAPK

>  <Form> (515)
Free Base

>  <URL> (515)
http://www.selleckchem.com/products/ph-797804.html

>  <CAS Number> (515)
586379-66-0

$$$$
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>  <Item Name> (516)
Dacomitinib (PF299804, PF-00299804)

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S2727

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N/A

>  <Target> (516)
EGFR

>  <Form> (516)
Free Base

>  <URL> (516)
http://www.selleckchem.com/products/pf299804.html

>  <CAS Number> (516)
1110813-31-4

$$$$
SB415286.cdx
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N/A

>  <Target> (517)
GSK-3

>  <Form> (517)
Free Base

>  <URL> (517)
http://www.selleckchem.com/products/sb-415286.html

>  <CAS Number> (517)
264218-23-7

$$$$
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>  <Item Name> (518)
INK 128 (MLN0128)

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S2811 

>  <Synonyms> (518)
N/A 

>  <Target> (518)
mTOR 

>  <Form> (518)
Free Base

>  <URL> (518)
http://www.selleckchem.com/products/ink128.html

>  <CAS Number> (518)
1224844-38-5

$$$$
Linagliptin.cdx
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>  <Formula> (519)
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>  <Item Name> (519)
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>  <Synonyms> (519)
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>  <Target> (519)
DPP-4

>  <Form> (519)
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>  <URL> (519)
http://www.selleckchem.com/products/linagliptin-bi-1356.html

>  <CAS Number> (519)
668270-12-0

$$$$
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M  END
>  <Mol_ID> (520)
1019

>  <Formula> (520)
C21H28N6O2

>  <MolWeight> (520)
396.48602

>  <Item Name> (520)
Dinaciclib (SCH727965)

>  <Catalog Number> (520)
S2768

>  <Synonyms> (520)
N/A 

>  <Target> (520)
CDK

>  <Form> (520)
Free Base

>  <URL> (520)
http://www.selleckchem.com/products/dinaciclib-sch727965.html

>  <CAS Number> (520)
779353-01-4

$$$$
MK-5108.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (521)
1020

>  <Formula> (521)
C22H21ClFN3O3S

>  <MolWeight> (521)
461.9368432

>  <Item Name> (521)
MK-5108 (VX-689)

>  <Catalog Number> (521)
S2770

>  <Synonyms> (521)
N/A 

>  <Target> (521)
Aurora Kinase

>  <Form> (521)
Free Base

>  <URL> (521)
http://www.selleckchem.com/products/mk-5108-vx-689.html

>  <CAS Number> (521)
1010085-13-8

$$$$
CP868569.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (522)
1021

>  <Formula> (522)
C26H29N5O2

>  <MolWeight> (522)
443.54076

>  <Item Name> (522)
Crenolanib (CP-868596)

>  <Catalog Number> (522)
S2730 

>  <Synonyms> (522)
N/A 

>  <Target> (522)
PDGFR

>  <Form> (522)
Free Base

>  <URL> (522)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

>  <CAS Number> (522)
670220-88-9

$$$$
PAC1.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (523)
1025

>  <Formula> (523)
C23H28N4O2

>  <MolWeight> (523)
392.49402

>  <Item Name> (523)
PAC-1

>  <Catalog Number> (523)
S2738

>  <Synonyms> (523)
Procaspase activating compound 1

>  <Target> (523)
Caspase

>  <Form> (523)
Free Base

>  <URL> (523)
http://www.selleckchem.com/products/pac-1.html

>  <CAS Number> (523)
315183-21-2

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (524)
1027

>  <Formula> (524)
C20H22ClN3O2

>  <MolWeight> (524)
371.86058

>  <Item Name> (524)
Tubastatin A hydrochloride

>  <Catalog Number> (524)
S2627 

>  <Synonyms> (524)
N/A

>  <Target> (524)
HDAC

>  <Form> (524)
Hydrochloride

>  <URL> (524)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

>  <CAS Number> (524)
1310693-92-5

$$$$
AG-1478.cdx
csChFnd80/10101811552D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (525)
1028

>  <Formula> (525)
C16H14ClN3O2

>  <MolWeight> (525)
315.75426

>  <Item Name> (525)
AG-1478 (Tyrphostin AG-1478)

>  <Catalog Number> (525)
S2728

>  <Synonyms> (525)
Tyrphostin AG-1478

>  <Target> (525)
EGFR

>  <Form> (525)
Free Base

>  <URL> (525)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

>  <CAS Number> (525)
153436-53-4

$$$$
PF-04691502.cdx
csChFnd80/10101811552D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (526)
1029

>  <Formula> (526)
C22H27N5O4

>  <MolWeight> (526)
425.48088

>  <Item Name> (526)
PF-04691502

>  <Catalog Number> (526)
S2743

>  <Synonyms> (526)
N/A

>  <Target> (526)
mTOR, PI3K, Akt

>  <Form> (526)
Free Base

>  <URL> (526)
http://www.selleckchem.com/products/pf-04691502.html

>  <CAS Number> (526)
1013101-36-4 

$$$$
ATP disodium salt.cdx
csChFnd80/10101811552D

 33 33  0  0  0  0  0  0  0  0999 V2000
    7.1324    6.5883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (527)
1033

>  <Formula> (527)
C10H14N5Na2O13P3

>  <MolWeight> (527)
551.144683

>  <Item Name> (527)
ATP (Adenosine-Triphosphate)

>  <Catalog Number> (527)
S1985

>  <Synonyms> (527)
N/A 

>  <Target> (527)
Others

>  <Form> (527)
Disodium Salt

>  <URL> (527)
http://www.selleckchem.com/products/atp-Adenosine-Triphosphate.html

>  <CAS Number> (527)
987-65-5

$$$$
Benidipine hydrochloride.cdx
csChFnd80/10101811552D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (528)
1034

>  <Formula> (528)
C28H32ClN3O6

>  <MolWeight> (528)
542.02318

>  <Item Name> (528)
Benidipine hydrochloride

>  <Catalog Number> (528)
S2017

>  <Synonyms> (528)
N/A

>  <Target> (528)
calcium channel

>  <Form> (528)
Hydrochloride

>  <URL> (528)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

>  <CAS Number> (528)
91599-74-5

$$$$
Formoterol fumarate.cdx
csChFnd80/10101811552D

 58 59  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (529)
1038

>  <Formula> (529)
C42H52N4O12

>  <MolWeight> (529)
804.88188

>  <Item Name> (529)
Formoterol hemifumarate

>  <Catalog Number> (529)
S2020

>  <Synonyms> (529)
N/A

>  <Target> (529)
Adrenergic Receptor

>  <Form> (529)
Hemifumarate

>  <URL> (529)
http://www.selleckchem.com/products/formoterol-hemifumarate.html

>  <CAS Number> (529)
43229-80-7

$$$$
Ketotifen fumarate.cdx
csChFnd80/10101811552D

 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> (530)
1039

>  <Formula> (530)
C23H23NO5S

>  <MolWeight> (530)
425.49742

>  <Item Name> (530)
Ketotifen fumarate (Zaditor)

>  <Catalog Number> (530)
S2024

>  <Synonyms> (530)
N/A 

>  <Target> (530)
Histamine Receptor

>  <Form> (530)
Fumarate 

>  <URL> (530)
http://www.selleckchem.com/products/ketotifen-fumarate-zaditor.html

>  <CAS Number> (530)
34580-14-8

$$$$
Lacidipine.cdx
csChFnd80/10101811552D

 33 34  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 33  2  0  0  0  0
M  END
>  <Mol_ID> (531)
1040

>  <Formula> (531)
C26H33NO6

>  <MolWeight> (531)
455.54332

>  <Item Name> (531)
Lacidipine (Lacipil, Motens)

>  <Catalog Number> (531)
S1994

>  <Synonyms> (531)
Lacipil, Motens

>  <Target> (531)
Calcium Channel 

>  <Form> (531)
Free Base

>  <URL> (531)
http://www.selleckchem.com/products/lacidipine-lacipil-motens.html

>  <CAS Number> (531)
103890-78-4

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/10101811552D

 17 16  0  0  0  0  0  0  0  0999 V2000
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   10.9204    1.5829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (532)
1045

>  <Formula> (532)
C12H20ClN3O

>  <MolWeight> (532)
257.7597

>  <Item Name> (532)
Procarbazine hydrochloride (Matulane)

>  <Catalog Number> (532)
S1995

>  <Synonyms> (532)
N/A 

>  <Target> (532)
DNA/RNA

>  <Form> (532)
Hydrochloride

>  <URL> (532)
http://www.selleckchem.com/products/procarbazine-hydrochloride-matulane.html

>  <CAS Number> (532)
366-70-1

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/10101811552D

 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
    6.0622    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7024    0.0000 C   0  0  0  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
    8.4955    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    3.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    3.5098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7758    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 12 19  2  0  0  0  0
M  END
>  <Mol_ID> (533)
1048

>  <Formula> (533)
C15H25ClN2O2

>  <MolWeight> (533)
300.8242

>  <Item Name> (533)
Tetracaine hydrochloride (Pontocaine)

>  <Catalog Number> (533)
S2573 

>  <Synonyms> (533)
N/A 

>  <Target> (533)
Calcium Channel

>  <Form> (533)
Hydrochloride 

>  <URL> (533)
http://www.selleckchem.com/products/tetracaine-hydrochloride-pontocaine.html

>  <CAS Number> (533)
136-47-0

$$$$
Ticlopidine hydrochloride.cdx
csChFnd80/10101811552D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.8125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.5451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4662    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  2  1  0  0  0  0
M  END
>  <Mol_ID> (534)
1049

>  <Formula> (534)
C14H15Cl2NS

>  <MolWeight> (534)
300.2466

>  <Item Name> (534)
Ticlopidine hydrochloride

>  <Catalog Number> (534)
S1984

>  <Synonyms> (534)
N/A

>  <Target> (534)
P2 Receptor

>  <Form> (534)
Hydrochloride

>  <URL> (534)
http://www.selleckchem.com/products/ticlopidine-hydrochloride.html

>  <CAS Number> (534)
53885-35-1

$$$$
Disodium Cromoglycate.cdx
csChFnd80/10101811552D

 36 37  0  0  0  0  0  0  0  0999 V2000
    3.6289   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3854    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2620    9.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    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
    8.4744    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    2.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5703    6.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1703    6.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 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 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
 25 27  1  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 26  1  0  0  0  0
 30 31  2  0  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (535)
1057

>  <Formula> (535)
C23H14Na2O11

>  <MolWeight> (535)
512.3302

>  <Item Name> (535)
Disodium Cromoglycate

>  <Catalog Number> (535)
S1911

>  <Synonyms> (535)
Gynazole

>  <Target> (535)
Calcium Channel

>  <Form> (535)
Disodium Salt

>  <URL> (535)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

>  <CAS Number> (535)
15826-37-6

$$$$
Tranexamic acid.cdx
csChFnd80/10101811552D

 11 11  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  1  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  1  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
    1.2124    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    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  1  1  0  0  0  0
  3  7  1  1  0  0  0
  6  8  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (536)
1065

>  <Formula> (536)
C8H15NO2

>  <MolWeight> (536)
157.2102

>  <Item Name> (536)
Tranexamic acid (Transamin)

>  <Catalog Number> (536)
S1875

>  <Synonyms> (536)
Cyklokapron 

>  <Form> (536)
Free Base

>  <URL> (536)
http://www.selleckchem.com/products/tranexamic-acid-transamin.html

>  <CAS Number> (536)
1197-18-8

$$$$
ENALAPRILAT (enalaprilat).cdx
csChFnd80/10101811552D

 27 26  0  0  0  0  0  0  0  0999 V2000
    7.0393    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0393    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2517    0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4642    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4642    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2517    2.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6724    2.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0889    2.8700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0889    4.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    4.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2971    4.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3013    2.1700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5137    2.8700    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7262    2.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5137    4.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9344    2.8676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7262    0.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2134    2.2982    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.1502    3.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4502    4.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0807    4.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5034    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4666    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8303    0.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1920    2.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7921    2.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 15 17  1  0  0  0  0
 15 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 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> (537)
1067

>  <Formula> (537)
C18H28N2O7

>  <MolWeight> (537)
384.42412

>  <Item Name> (537)
Enalaprilat dihydrate

>  <Catalog Number> (537)
S1657

>  <Synonyms> (537)
N/A

>  <Target> (537)
RAAS

>  <Form> (537)
Dihydrate

>  <URL> (537)
http://www.selleckchem.com/products/Enalaprilat.html

>  <CAS Number> (537)
84680-54-6 

$$$$
Acemetacin.cdx
csChFnd80/10101811552D

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.6139    8.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (538)
1069

>  <Formula> (538)
C21H18ClNO6

>  <MolWeight> (538)
415.82372

>  <Item Name> (538)
Acemetacin (Emflex)

>  <Catalog Number> (538)
S2602

>  <Synonyms> (538)
N/A 

>  <Target> (538)
COX

>  <Form> (538)
Free Base

>  <URL> (538)
http://www.selleckchem.com/products/acemetacin-emflex.html

>  <CAS Number> (538)
53164-05-9

$$$$
Nystatin (Fungicidin).cdx
csChFnd80/10101811552D

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 44 24  1  0  0  0  0
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M  END
>  <Mol_ID> (539)
1071

>  <Formula> (539)
C47H75NO17

>  <MolWeight> (539)
926.0949

>  <Item Name> (539)
Nystatin (Fungicidin)

>  <Catalog Number> (539)
S1934

>  <Synonyms> (539)
N/A

>  <Target> (539)
Others

>  <Form> (539)
Free Base

>  <URL> (539)
http://www.selleckchem.com/products/Nystatin(Mycostatin).htm

>  <CAS Number> (539)
1400-61-9

$$$$
Flubendazole.cdx
csChFnd80/10101811552D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 14  4  1  0  0  0  0
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M  END
>  <Mol_ID> (540)
1075

>  <Formula> (540)
C16H12FN3O3

>  <MolWeight> (540)
313.2831832

>  <Item Name> (540)
Flubendazole (Flutelmium)

>  <Catalog Number> (540)
S1837

>  <Synonyms> (540)
N/A 

>  <Target> (540)
Others

>  <Form> (540)
Free Base

>  <URL> (540)
http://www.selleckchem.com/products/flubendazole-flutelmium.html

>  <CAS Number> (540)
31430-15-6

$$$$
NADIDE.cdx
csChFnd80/10101811552D

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M  END
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1079

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NAD+

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S2518

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N/A

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Free Base

>  <URL> (541)
http://www.selleckchem.com/products/nad.html

>  <CAS Number> (541)
53-84-9

$$$$
Phenacetin.cdx
csChFnd80/10101811552D

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1080

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COX

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Free Base

>  <URL> (542)
http://www.selleckchem.com/products/phenacetin.html

>  <CAS Number> (542)
62-44-2

$$$$
Streptomycin sulfate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (543)
1082

>  <Formula> (543)
C42H84N14O36S3

>  <MolWeight> (543)
1457.38356

>  <Item Name> (543)
Streptomycin sulfate

>  <Catalog Number> (543)
S2572

>  <Synonyms> (543)
N/A

>  <Target> (543)
Antifection

>  <Form> (543)
1.5 Sulfate

>  <URL> (543)
http://www.selleckchem.com/products/streptomycin-sulfate.html

>  <CAS Number> (543)
3810-74-0 

$$$$
Tolfenamic acid.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (544)
1085

>  <Formula> (544)
C14H12ClNO2

>  <MolWeight> (544)
261.70358

>  <Item Name> (544)
Tolfenamic acid

>  <Catalog Number> (544)
S1959

>  <Synonyms> (544)
N/A

>  <Target> (544)
COX

>  <Form> (544)
Free Base

>  <URL> (544)
http://www.selleckchem.com/products/tolfenamic-acid.html

>  <CAS Number> (544)
13710-19-5

$$$$
Zidovudine.cdx
csChFnd80/10101811552D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.3361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (545)
1087

>  <Formula> (545)
C10H13N5O4

>  <MolWeight> (545)
267.24132

>  <Item Name> (545)
Zidovudine (Retrovir)

>  <Catalog Number> (545)
S2579

>  <Synonyms> (545)
azidothymidine

>  <Target> (545)
Reverse Transcriptase

>  <Form> (545)
Free Base

>  <URL> (545)
http://www.selleckchem.com/products/zidovudine-retrovir.html

>  <CAS Number> (545)
30516-87-1

$$$$
Gliclazide.cdx
csChFnd80/10101811552D

 22 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
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    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (546)
1093

>  <Formula> (546)
C15H21N3O3S

>  <MolWeight> (546)
323.41054

>  <Item Name> (546)
Gliclazide (Diamicron)

>  <Catalog Number> (546)
S2601 

>  <Synonyms> (546)
N/A 

>  <Target> (546)
Potassium Channel

>  <Form> (546)
Free Base

>  <URL> (546)
http://www.selleckchem.com/products/gliclazide-diamicron.html

>  <CAS Number> (546)
21187-98-4

$$$$
Quinapril hydrochloride.cdx
csChFnd80/10101811552D

 33 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (547)
1096

>  <Formula> (547)
C25H31ClN2O5

>  <MolWeight> (547)
474.97704

>  <Item Name> (547)
Quinapril hydrochloride (Accupril)

>  <Catalog Number> (547)
S2581

>  <Synonyms> (547)
N/A 

>  <Target> (547)
RAAS

>  <Form> (547)
Hydrochloride

>  <URL> (547)
http://www.selleckchem.com/products/quinapril-hydrochloride-accupril.html

>  <CAS Number> (547)
82586-55-8

$$$$
Scopine.cdx
csChFnd80/10101811552D

 15 17  0  0  0  0  0  0  0  0999 V2000
    2.1048    2.6731    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (548)
1098

>  <Formula> (548)
C8H13NO2

>  <MolWeight> (548)
155.19432

>  <Item Name> (548)
Scopine

>  <Catalog Number> (548)
S2545

>  <Synonyms> (548)
N/A

>  <Target> (548)
Adrenergic Receptor

>  <Form> (548)
Free Base

>  <URL> (548)
http://www.selleckchem.com/products/scopine.html

>  <CAS Number> (548)
498-45-3

$$$$
Captopril.cdx
csChFnd80/10101811552D

 14 14  0  0  0  0  0  0  0  0999 V2000
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    5.6544    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3229    1.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380    5.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8802    5.8789    0.0000 O   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    1.2124    0.0000 C   0  0  1  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
    1.4000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  1  0  0  0
 11 14  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
>  <Mol_ID> (549)
1100

>  <Formula> (549)
C9H15NO3S

>  <MolWeight> (549)
217.2853

>  <Item Name> (549)
Captopril (Capoten)

>  <Catalog Number> (549)
S2051

>  <Synonyms> (549)
N/A 

>  <Target> (549)
RAAS

>  <Form> (549)
Free Base

>  <URL> (549)
http://www.selleckchem.com/products/captopril-capoten.html

>  <CAS Number> (549)
62571-86-2

$$$$
Clindamycin phosphate.cdx
csChFnd80/10101811552D

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.0034    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0034    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2158    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4282    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4282    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2158    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2158    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6407    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6407    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8531    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0655    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8531    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2738    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5527    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4895    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7895    4.4810    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4201    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2158    6.2951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3570    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0076    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8428    0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7445    5.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3119    7.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    4.8976    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  1  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  6  0  0  0
 15 13  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
  2 20  1  6  0  0  0
  1 21  1  1  0  0  0
  6 22  1  1  0  0  0
 18 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
>  <Mol_ID> (550)
1101

>  <Formula> (550)
C18H34ClN2O8PS

>  <MolWeight> (550)
504.962921

>  <Item Name> (550)
Clindamycin phosphate

>  <Catalog Number> (550)
S2048

>  <Synonyms> (550)
N/A

>  <Target> (550)
Antifection

>  <Form> (550)
Free Base

>  <URL> (550)
http://www.selleckchem.com/products/clindamycin-phosphate.html

>  <CAS Number> (550)
24729-96-2

$$$$
Etidronate.cdx
csChFnd80/10101811552D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.9080    1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2308    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855    3.0725    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.6572    4.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979    3.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7003    1.6783    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7003    3.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0980    1.7597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8629    0.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5668    0.9607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  1  3  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (551)
1106

>  <Formula> (551)
C2H8O7P2

>  <MolWeight> (551)
206.028242

>  <Item Name> (551)
Etidronate (Didronel)

>  <Catalog Number> (551)
S1857

>  <Synonyms> (551)
N/A 

>  <Target> (551)
phosphatase

>  <Form> (551)
Free Base

>  <URL> (551)
http://www.selleckchem.com/products/etidronate-didronel.html

>  <CAS Number> (551)
2809-21-4

$$$$
Gimeracil.cdx
csChFnd80/10101811552D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (552)
1107

>  <Formula> (552)
C5H4ClNO2

>  <MolWeight> (552)
145.54376

>  <Item Name> (552)
Gimeracil

>  <Catalog Number> (552)
S2055

>  <Synonyms> (552)
N/A

>  <Target> (552)
Dehydrogenase

>  <Form> (552)
Free Base

>  <URL> (552)
http://www.selleckchem.com/products/gimeracil.html

>  <CAS Number> (552)
103766-25-2

$$$$
Lornoxicam.cdx
csChFnd80/10101811552D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    1.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    3.7451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0282    2.6124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  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  3  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13  2  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
  9 17  1  0  0  0  0
 13 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19  1  1  0  0  0  0
 15 21  1  0  0  0  0
 10 22  2  0  0  0  0
 10 23  2  0  0  0  0
M  END
>  <Mol_ID> (553)
1108

>  <Formula> (553)
C13H10ClN3O4S2

>  <MolWeight> (553)
371.8192

>  <Item Name> (553)
Lornoxicam (Xefo)

>  <Catalog Number> (553)
S2047

>  <Synonyms> (553)
N/A 

>  <Target> (553)
COX

>  <Form> (553)
Free Base

>  <URL> (553)
http://www.selleckchem.com/products/lornoxicam-xefo.html

>  <CAS Number> (553)
70374-39-9

$$$$
Memantine HCl.cdx
csChFnd80/10101811552D

 14 15  0  0  0  0  0  0  0  0999 V2000
    8.3216    0.9987    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    1.2124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6476    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937    0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7019    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    3.3124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9937    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    0.8513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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  2  1  0  0  0  0
  2  8  1  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
  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> (554)
1109

>  <Formula> (554)
C12H22ClN

>  <MolWeight> (554)
215.76278

>  <Item Name> (554)
Memantine hydrochloride (Namenda)

>  <Catalog Number> (554)
S2043

>  <Synonyms> (554)
N/A 

>  <Target> (554)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (554)
Hydrochloride

>  <URL> (554)
http://www.selleckchem.com/products/memantine-hydrochloride-namenda.html

>  <CAS Number> (554)
41100-52-1

$$$$
Metoprolol tartrate.cdx
csChFnd80/10101811552D

 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
   21.9027    5.4707    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6903    4.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5443    4.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3318    6.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4779    5.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6903    3.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9027    6.8707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1152    3.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6269   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9274   10.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6269    8.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0259    8.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7254   10.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0259   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5284   10.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8289   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4299   11.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7304   12.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   10.1215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8239    8.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2229    8.9100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.9224   10.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3214   10.1215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0209   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3214   12.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4199   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.4199    5.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9224    1.5428    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
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  3  9  1  6  0  0  0
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 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
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 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
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 33 34  1  0  0  0  0
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 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
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M  END
>  <Mol_ID> (555)
1110

>  <Formula> (555)
C34H56N2O12

>  <MolWeight> (555)
684.81464

>  <Item Name> (555)
Metoprolol tartrate

>  <Catalog Number> (555)
S1856

>  <Synonyms> (555)
N/A

>  <Target> (555)
Adrenergic Receptor

>  <Form> (555)
Tartrate

>  <URL> (555)
http://www.selleckchem.com/products/metoprolol-tartrate.html

>  <CAS Number> (555)
392-17-7

$$$$
Nimesulide.cdx
csChFnd80/10101811552D

 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
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    8.4744    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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 10 11  2  0  0  0  0
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  3 14  1  0  0  0  0
  9 17  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> (556)
1111

>  <Formula> (556)
C13H12N2O5S

>  <MolWeight> (556)
308.30978

>  <Item Name> (556)
Nimesulide

>  <Catalog Number> (556)
S2040

>  <Synonyms> (556)
N/A

>  <Target> (556)
COX

>  <Form> (556)
Free Base

>  <URL> (556)
http://www.selleckchem.com/products/nimesulide.html

>  <CAS Number> (556)
51803-78-2

$$$$
Orphenadrine citrate.cdx
csChFnd80/10101811552D

 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
    3.6500    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    7.0146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    6.3146    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
    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
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   12.9844    2.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1968    3.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4092    2.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6217    3.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7719    4.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1968    4.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9844    5.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4092    5.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5604    1.6723    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1 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  1  1  0  0  0  0
  4 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  4  1  0  0  0  0
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 21 22  1  0  0  0  0
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 25 26  1  0  0  0  0
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 26 28  2  0  0  0  0
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 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 24 33  1  0  0  0  0
M  END
>  <Mol_ID> (557)
1113

>  <Formula> (557)
C24H31NO8

>  <MolWeight> (557)
461.50484

>  <Item Name> (557)
Orphenadrine citrate (Norflex)

>  <Catalog Number> (557)
S2054

>  <Synonyms> (557)
N/A 

>  <Target> (557)
AChR

>  <Form> (557)
Citrate

>  <URL> (557)
http://www.selleckchem.com/products/orphenadrine-citrate-norflex.html

>  <CAS Number> (557)
4682-36-4

$$$$
Pioglitazone hydrochloride.cdx
csChFnd80/10101811552D

 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
    3.6289    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.4524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    4.5500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6619    3.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 12  1  0  0  0  0
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 23 19  1  0  0  0  0
 22 24  2  0  0  0  0
 20 25  2  0  0  0  0
M  END
>  <Mol_ID> (558)
1115

>  <Formula> (558)
C19H21ClN2O3S

>  <MolWeight> (558)
392.89964

>  <Item Name> (558)
Pioglitazone hydrochloride (Actos)

>  <Catalog Number> (558)
S2046

>  <Synonyms> (558)
N/A 

>  <Target> (558)
P450 (e.g. CYP17)

>  <Form> (558)
Hydrochloride

>  <URL> (558)
http://www.selleckchem.com/products/pioglitazone-hydrochloride-actos.html

>  <CAS Number> (558)
112529-15-4

$$$$

csChFnd80/10101811552D

 75 80  0  0  0  0  0  0  0  0999 V2000
   13.7118   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7118   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9242   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.3490   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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GPR 

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Hydrate

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http://www.selleckchem.com/products/tak-875.html

>  <CAS Number> (559)
1374598-80-7

$$$$
OMNISCAN (gadodiamide).cdx
csChFnd80/10101811552D

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Gadodiamide Hydrate

>  <Catalog Number> (560)
S1751

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Omniscan

>  <Target> (560)
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Hydrate

>  <URL> (560)
http://www.selleckchem.com/products/Gadodiamide(Omniscan).html

>  <CAS Number> (560)
122795-43-1

$$$$
AMG 458.cdx
csChFnd80/10101811552D

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c-Met

>  <Form> (561)
Free Base

>  <URL> (561)
http://www.selleckchem.com/products/amg458.html

>  <CAS Number> (561)
913376-83-7 

$$$$
Anacetrapib.cdx
csChFnd80/10101811552D

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CETP

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Free Base

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http://www.selleckchem.com/products/anacetrapib-mk-0859.html

>  <CAS Number> (562)
875446-37-0

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1125

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HER2 Inhibitor 1

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S2752 

>  <Synonyms> (563)
N/A

>  <Target> (563)
HER2, EGFR

>  <Form> (563)
Free Base

>  <URL> (563)
http://www.selleckchem.com/products/arry-380.html

>  <CAS Number> (563)
937265-83-3

$$$$
PHA-848125.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (564)
1126

>  <Formula> (564)
C25H32N8O

>  <MolWeight> (564)
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>  <Item Name> (564)
PHA-848125

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S2751

>  <Synonyms> (564)
N/A

>  <Target> (564)
CDK

>  <Form> (564)
Free Base

>  <URL> (564)
http://www.selleckchem.com/products/pha-848125.html

>  <CAS Number> (564)
802539-81-7

$$$$
AT13387.cdx
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PI3K, mTOR

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Maleate

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http://www.selleckchem.com/products/nvp-bgt226.html

>  <CAS Number> (573)
1245537-68-1

$$$$
YM201636.cdx
csChFnd80/10101811552D

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PI3K 

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Free Base

>  <URL> (574)
http://www.selleckchem.com/products/ym201636.html

>  <CAS Number> (574)
371942-69-7

$$$$
AG1024.cdx
csChFnd80/10101811552D

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IGF-1R

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Free Base

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65678-07-1

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/10101811552D

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Amiodarone HCl

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S1979 

>  <Synonyms> (576)
N/A

>  <Target> (576)
Potassium Channel

>  <Form> (576)
Hydrochloride

>  <URL> (576)
http://www.selleckchem.com/products/amiodarone-hcl.html

>  <CAS Number> (576)
19774-82-4

$$$$
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HSP

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>  <CAS Number> (577)
819812-04-9

$$$$
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csChFnd80/10101811552D

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PI3K

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Free Base

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>  <CAS Number> (578)
5142-23-4

$$$$
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csChFnd80/10101811552D

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C23H19N3O2

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>  <Item Name> (579)
ARQ 197 (Tivantinib)

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N/A 

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c-Met

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Free Base

>  <URL> (579)
http://www.selleckchem.com/products/arq-197.html

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905854-02-6

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582315-72-8

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S2186

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N/A 

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TGF-beta/Smad 

>  <Form> (593)
Free Base

>  <URL> (593)
http://www.selleckchem.com/products/sb-505124.html

>  <CAS Number> (593)
694433-59-5

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MK-2461.cdx
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1165

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MK-2461

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S2774

>  <Synonyms> (594)
N/A 

>  <Target> (594)
c-Met, FGFR, PDGFR

>  <Form> (594)
Free Base

>  <URL> (594)
http://www.selleckchem.com/products/mk-2461.html

>  <CAS Number> (594)
917879-39-1

$$$$
Nocodazole.cdx
csChFnd80/10101811552D

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1166

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C14H11N3O3S

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Nocodazole

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S2775

>  <Synonyms> (595)
N/A 

>  <Target> (595)
Microtubule Associated

>  <Form> (595)
Free Base

>  <URL> (595)
http://www.selleckchem.com/products/nocodazole.html

>  <CAS Number> (595)
31430-18-9

$$$$
CPI-613.cdx
csChFnd80/10101811552D

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N/A

>  <Target> (596)
Dehydrogenase 

>  <Form> (596)
Free Base

>  <URL> (596)
http://www.selleckchem.com/products/cpi-613.html

>  <CAS Number> (596)
95809-78-2

$$$$
GW842166x.cdx
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Cannabinoid Receptor

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>  <URL> (597)
http://www.selleckchem.com/products/gw-842166x.html

>  <CAS Number> (597)
666260-75-9

$$$$
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>  <Formula> (602)
C19H16ClNO4

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>  <Item Name> (602)
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S2785 

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>  <Target> (602)
Sodium Channel 

>  <Form> (602)
Free Base

>  <URL> (602)
http://www.selleckchem.com/products/a-803467.html

>  <CAS Number> (602)
944261-79-4

$$$$
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C19H17ClN2O3

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>  <Item Name> (603)
Laquinimod (ABR-215062)

>  <Catalog Number> (603)
S2787 

>  <Synonyms> (603)
N/A 

>  <Target> (603)
Immunology & Inflammation related

>  <Form> (603)
Free Base

>  <URL> (603)
http://www.selleckchem.com/products/laquinimod-abr-215062.html

>  <CAS Number> (603)
248281-84-7

$$$$
INCB28060.cdx
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>  <Mol_ID> (604)
1176

>  <Formula> (604)
C23H17FN6O

>  <MolWeight> (604)
412.4190832

>  <Item Name> (604)
Capmatinib (INCB28060)

>  <Catalog Number> (604)
S2788

>  <Synonyms> (604)
N/A

>  <Target> (604)
c-Met 

>  <Form> (604)
Free Base

>  <URL> (604)
http://www.selleckchem.com/products/incb28060.html

>  <CAS Number> (604)
1029712-80-8

$$$$
CP-690550.cdx
csChFnd80/10101811552D

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1177

>  <Formula> (605)
C16H20N6O

>  <MolWeight> (605)
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>  <Item Name> (605)
Tofacitinib (CP-690550, Tasocitinib)

>  <Catalog Number> (605)
S2789

>  <Synonyms> (605)
Tasocitinib 

>  <Target> (605)
JAK

>  <Form> (605)
Free Base

>  <URL> (605)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

>  <CAS Number> (605)
477600-75-2

$$$$
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1179

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>  <Item Name> (606)
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>  <Synonyms> (606)
N/A 

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CETP

>  <Form> (606)
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>  <URL> (606)
http://www.selleckchem.com/products/torcetrapib-cp-529414.html

>  <CAS Number> (606)
262352-17-0

$$$$
WP1066.cdx
csChFnd80/10101811552D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  3  0  0  0  0
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 16 17  1  0  0  0  0
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M  END
>  <Mol_ID> (607)
1180

>  <Formula> (607)
C17H14BrN3O

>  <MolWeight> (607)
356.21656

>  <Item Name> (607)
WP1066

>  <Catalog Number> (607)
S2796

>  <Synonyms> (607)
N/A

>  <Target> (607)
JAK 

>  <Form> (607)
Free Base

>  <URL> (607)
http://www.selleckchem.com/products/wp1066.html

>  <CAS Number> (607)
857064-38-1

$$$$
Ciclopirox ethanolamine.cdx
csChFnd80/10101811552D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (608)
1184

>  <Formula> (608)
C14H24N2O3

>  <MolWeight> (608)
268.35196

>  <Item Name> (608)
Ciclopirox ethanolamine

>  <Catalog Number> (608)
S3019 

>  <Synonyms> (608)
N/A

>  <Target> (608)
ATPase

>  <Form> (608)
Ethanolamine

>  <URL> (608)
http://www.selleckchem.com/products/ciclopirox-ethanolamine.html

>  <CAS Number> (608)
41621-49-2

$$$$
Bufexamac.cdx
csChFnd80/10101811552D

 16 16  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    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
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   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
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M  END
>  <Mol_ID> (609)
1188

>  <Formula> (609)
C12H17NO3

>  <MolWeight> (609)
223.26828

>  <Item Name> (609)
Bufexamac

>  <Catalog Number> (609)
S3023

>  <Synonyms> (609)
N/A 

>  <Target> (609)
HDAC 

>  <Form> (609)
Free Base

>  <URL> (609)
http://www.selleckchem.com/products/bufexamac.html

>  <CAS Number> (609)
2438-72-4

$$$$
Lamotrigine.cdx
csChFnd80/10101811552D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    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
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    6.3000    3.8249    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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 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (610)
1189

>  <Formula> (610)
C9H7Cl2N5

>  <MolWeight> (610)
256.09138

>  <Item Name> (610)
Lamotrigine

>  <Catalog Number> (610)
S3024 

>  <Synonyms> (610)
N/A 

>  <Target> (610)
Sodium Channel 

>  <Form> (610)
Free Base

>  <URL> (610)
http://www.selleckchem.com/products/lamotrigine.html

>  <CAS Number> (610)
84057-84-1

$$$$
Piceatannol.cdx
csChFnd80/10101811552D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (611)
1191

>  <Formula> (611)
C14H12O4

>  <MolWeight> (611)
244.24268

>  <Item Name> (611)
Piceatannol

>  <Catalog Number> (611)
S3026 

>  <Synonyms> (611)
N/A 

>  <Target> (611)
Others

>  <Form> (611)
Free Base

>  <URL> (611)
http://www.selleckchem.com/products/piceatannol.html

>  <CAS Number> (611)
10083-24-6

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/10101811552D

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>  <Formula> (612)
C25H22N6O2

>  <MolWeight> (612)
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>  <Item Name> (612)
Sotrastaurin (AEB071)

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S2791 

>  <Synonyms> (612)
N/A 

>  <Target> (612)
PKC 

>  <Form> (612)
Free Base

>  <URL> (612)
http://www.selleckchem.com/products/sotrastaurin-aeb071.html

>  <CAS Number> (612)
425637-18-9

$$$$
VU 0357121.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (613)
1193

>  <Formula> (613)
C17H17F2NO2

>  <MolWeight> (613)
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>  <Item Name> (613)
VU 0357121
VU 0357121
VU 0357121

>  <Catalog Number> (613)
S2795

>  <Synonyms> (613)
N/A 

>  <Target> (613)
GluR 

>  <Form> (613)
Free Base

>  <URL> (613)
http://www.selleckchem.com/products/vu-0357121.html

>  <CAS Number> (613)
433967-28-3

$$$$
Lonafarnib.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (614)
1194

>  <Formula> (614)
C27H31Br2ClN4O2

>  <MolWeight> (614)
638.82164

>  <Item Name> (614)
Lonafarnib (SCH66336)

>  <Catalog Number> (614)
S2797

>  <Synonyms> (614)
N/A 

>  <Target> (614)
Transferase

>  <Form> (614)
Free Base

>  <URL> (614)
http://www.selleckchem.com/products/lonafarnib-sch66336.html

>  <CAS Number> (614)
193275-84-2

$$$$
Sirtinol.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (615)
1198

>  <Formula> (615)
C26H22N2O2

>  <MolWeight> (615)
394.46508

>  <Item Name> (615)
Sirtinol

>  <Catalog Number> (615)
S2804 

>  <Synonyms> (615)
N/A 

>  <Target> (615)
Sirtuin 

>  <Form> (615)
Free Base

>  <URL> (615)
http://www.selleckchem.com/products/sirtinol.html

>  <CAS Number> (615)
410536-97-9

$$$$
NVP-AEW541.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (616)
1201

>  <Formula> (616)
C27H29N5O

>  <MolWeight> (616)
439.55206

>  <Item Name> (616)
NVP-AEW541

>  <Catalog Number> (616)
S1034

>  <Synonyms> (616)
AEW541 

>  <Target> (616)
IGF-1R

>  <Form> (616)
Free Base

>  <URL> (616)
http://www.selleckchem.com/products/NVP-AEW541.html

>  <CAS Number> (616)
475489-16-8 

$$$$
Aminoglutethimide .cdx
csChFnd80/10101811552D

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1202

>  <Formula> (617)
C13H16N2O2

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>  <Item Name> (617)
Aminoglutethimide (Cytadren)

>  <Catalog Number> (617)
S1672

>  <Synonyms> (617)
N/A

>  <Target> (617)
Aromatase

>  <Form> (617)
Free Base

>  <URL> (617)
http://www.selleckchem.com/products/Aminoglutethimide(Cytadren).html

>  <CAS Number> (617)
125-84-8

$$$$
VISUDYNE (verteporfin).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (618)
1203

>  <Formula> (618)
C41H42N4O8

>  <MolWeight> (618)
718.79418

>  <Item Name> (618)
Verteporfin (Visudyne)

>  <Catalog Number> (618)
S1786

>  <Synonyms> (618)
Visudyne

>  <Target> (618)
5-alpha Reductase 

>  <Form> (618)
Free Base

>  <URL> (618)
http://www.selleckchem.com/products/Verteporfin(Visudyne).html

>  <CAS Number> (618)
129497-78-5

$$$$
AZD4547.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (619)
1205

>  <Formula> (619)
C26H33N5O3

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>  <Item Name> (619)
AZD4547

>  <Catalog Number> (619)
S2801 

>  <Synonyms> (619)
N/A 

>  <Target> (619)
FGFR

>  <Form> (619)
Free Base

>  <URL> (619)
http://www.selleckchem.com/products/azd4547.html

>  <CAS Number> (619)
1035270-39-3

$$$$
GDC-0068.cdx
csChFnd80/10101811552D

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Alpelisib (BYL719)

>  <Catalog Number> (624)
S2814

>  <Synonyms> (624)
N/A 

>  <Target> (624)
PI3K

>  <Form> (624)
Free Base

>  <URL> (624)
http://www.selleckchem.com/products/byl719.html

>  <CAS Number> (624)
1217486-61-7

$$$$
vildagliptin.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (625)
1213

>  <Formula> (625)
C17H25N3O2

>  <MolWeight> (625)
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>  <Item Name> (625)
Vildagliptin (LAF-237)

>  <Catalog Number> (625)
S3033

>  <Synonyms> (625)
Galvus 

>  <Target> (625)
DPP-4

>  <Form> (625)
Free Base

>  <URL> (625)
http://www.selleckchem.com/products/vildagliptin-laf-237.html

>  <CAS Number> (625)
274901-16-5

$$$$
CEP33779.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (626)
1214

>  <Formula> (626)
C24H26N6O2S

>  <MolWeight> (626)
462.56724

>  <Item Name> (626)
CEP33779

>  <Catalog Number> (626)
S2806 

>  <Synonyms> (626)
N/A

>  <Target> (626)
JAK

>  <Form> (626)
Free Base

>  <URL> (626)
http://www.selleckchem.com/products/cep33779.html

>  <CAS Number> (626)
1257704-57-6

$$$$
CI994.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (627)
1215

>  <Formula> (627)
C15H15N3O2

>  <MolWeight> (627)
269.2985

>  <Item Name> (627)
CI994 (Tacedinaline)

>  <Catalog Number> (627)
S2818 

>  <Synonyms> (627)
PD-123654 

>  <Target> (627)
HDAC

>  <Form> (627)
Free Base

>  <URL> (627)
http://www.selleckchem.com/products/ci994-tacedinaline.html

>  <CAS Number> (627)
112522-64-2

$$$$
Pravastatin sodium.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (628)
1216

>  <Formula> (628)
C23H35NaO7

>  <MolWeight> (628)
446.50957

>  <Item Name> (628)
Pravastatin sodium

>  <Catalog Number> (628)
S3036

>  <Synonyms> (628)
Selektine 

>  <Target> (628)
HMG-CoA Reductase

>  <Form> (628)
Free Base

>  <URL> (628)
http://www.selleckchem.com/products/pravastatin-pravachol.html

>  <CAS Number> (628)
81131-70-6

$$$$
Daunomycin HCL.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (629)
1217

>  <Formula> (629)
C27H30ClNO10

>  <MolWeight> (629)
563.9808

>  <Item Name> (629)
Daunorubicin HCl (Daunomycin HCl)

>  <Catalog Number> (629)
S3035

>  <Synonyms> (629)
N/A 

>  <Target> (629)
Telomerase

>  <Form> (629)
Hydrochloride

>  <URL> (629)
http://www.selleckchem.com/products/daunorubicin-hcl-daunomycin-hcl.html

>  <CAS Number> (629)
23541-50-6

$$$$
NVP-TAE226.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (630)
1218

>  <Formula> (630)
C23H25ClN6O3

>  <MolWeight> (630)
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>  <Item Name> (630)
NVP-TAE226

>  <Catalog Number> (630)
S2820

>  <Synonyms> (630)
N/A 

>  <Target> (630)
FAK

>  <Form> (630)
Free Base

>  <URL> (630)
http://www.selleckchem.com/products/nvp-tae226.html

>  <CAS Number> (630)
761437-28-9

$$$$
ML133 HCL.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (631)
1221

>  <Formula> (631)
C19H20ClNO

>  <MolWeight> (631)
313.8212

>  <Item Name> (631)
ML133 HCL

>  <Catalog Number> (631)
S2825

>  <Synonyms> (631)
N/A 

>  <Target> (631)
Potassium Channel

>  <Form> (631)
Hydrochloride

>  <URL> (631)
http://www.selleckchem.com/products/Ml-133-hcl.html

>  <CAS Number> (631)
1222781-70-5

$$$$
CP 673451.cdx
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C24H27N5O2

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CP 673451

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S1536

>  <Synonyms> (632)
CP673451 

>  <Target> (632)
Others

>  <Form> (632)
Free Base

>  <URL> (632)
http://www.selleckchem.com/products/CP-673451.html

>  <CAS Number> (632)
343787-29-1

$$$$
LY2811376.cdx
csChFnd80/10101811552D

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LY 2811376 

>  <Target> (633)
5-alpha Reductase

>  <Form> (633)
Free Base

>  <URL> (633)
http://www.selleckchem.com/products/LY2811376.html

>  <CAS Number> (633)
1194044-20-6

$$$$
LY364947.cdx
csChFnd80/10101811552D

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1225

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C17H12N4

>  <MolWeight> (634)
272.30398

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LY364947

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S2805 

>  <Synonyms> (634)
N/A

>  <Target> (634)
TGF-beta/Smad

>  <Form> (634)
Free Base

>  <URL> (634)
http://www.selleckchem.com/products/ly364947.html

>  <CAS Number> (634)
396129-53-6

$$$$
Thalidomide.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (635)
1226

>  <Formula> (635)
C13H10N2O4

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258.2295

>  <Item Name> (635)
Thalidomide

>  <Catalog Number> (635)
S1193

>  <Synonyms> (635)
Thalomid 

>  <Target> (635)
E3 Ligase ,TNF-alpha

>  <Form> (635)
Free Base

>  <URL> (635)
http://www.selleckchem.com/products/Thalidomide.html

>  <CAS Number> (635)
50-35-1

$$$$
Finasteride.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (636)
1227

>  <Formula> (636)
C23H36N2O2

>  <MolWeight> (636)
372.54414

>  <Item Name> (636)
Finasteride

>  <Catalog Number> (636)
S1197

>  <Synonyms> (636)
N/A 

>  <Target> (636)
5-alpha Reductase

>  <Form> (636)
Free Base

>  <URL> (636)
http://www.selleckchem.com/products/Finasteride.html

>  <CAS Number> (636)
98319-26-7

$$$$
Leucovorin Calcium.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (637)
1231

>  <Formula> (637)
C20H31CaN7O12

>  <MolWeight> (637)
601.57784

>  <Item Name> (637)
Leucovorin Calcium Pentahydrate

>  <Catalog Number> (637)
S1236

>  <Synonyms> (637)
Calcium, Calcium Folinatc, Citrovorum Factor 

>  <Target> (637)
Others

>  <Form> (637)
Hydrate

>  <URL> (637)
http://www.selleckchem.com/products/Leucovorin-Calcium.html

>  <CAS Number> (637)
6035-45-6

$$$$
Rufinamide.cdx
csChFnd80/10101811552D

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Banzel 

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Sodium Channel

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Free Base

>  <URL> (638)
http://www.selleckchem.com/products/Rufinamide.html

>  <CAS Number> (638)
106308-44-5

$$$$
Tioxolone.cdx
csChFnd80/10101811552D

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Tioxolone

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Carbonic Anhydrase

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Free Base

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

>  <CAS Number> (639)
4991-65-5

$$$$
ADX47273.cdx
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ADX-47273

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N/A 

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GluR

>  <Form> (640)
Free Base

>  <URL> (640)
http://www.selleckchem.com/products/adx-47273.html

>  <CAS Number> (640)
851881-60-2

$$$$
PHA.cdx
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CDK

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845714-00-3

$$$$
Torin 1.cdx
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1222998-36-8

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   10.2099    2.6856    0.0000 F   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
    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 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  2  2  0  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  2  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 12 15  1  0  0  0  0
  4  9  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 16 17  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (643)
1245

>  <Formula> (643)
C12H10FN3O2S

>  <MolWeight> (643)
279.2901032

>  <Item Name> (643)
TPCA-1

>  <Catalog Number> (643)
S2824

>  <Synonyms> (643)
N/A 

>  <Target> (643)
IKK

>  <Form> (643)
Free Base

>  <URL> (643)
http://www.selleckchem.com/products/tpca-1.html

>  <CAS Number> (643)
507475-17-4

$$$$
Entacapone.cdx
csChFnd80/10101811552D

 22 22  0  0  0  0  0  0  0  0999 V2000
    7.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    9.6995    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
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  5  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
    4.9000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.4249    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
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  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
 13 14  2  0  0  0  0
 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> (644)
1247

>  <Formula> (644)
C14H15N3O5

>  <MolWeight> (644)
305.286

>  <Item Name> (644)
Entacapone

>  <Catalog Number> (644)
S3147 

>  <Synonyms> (644)
N/A 

>  <Target> (644)
Histone Methyltransferase

>  <Form> (644)
Free Base

>  <URL> (644)
http://www.selleckchem.com/products/entacapone.html

>  <CAS Number> (644)
130929-57-6

$$$$
Ibandronate sodium.cdx
csChFnd80/10101811552D

 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
    9.2939    6.7369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1862    6.4033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3970    3.0811    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.7126    3.5599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9516    1.7956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  3  4  1  0  0  0  0
  1 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  1 12  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (645)
1248

>  <Formula> (645)
C9H25NNaO8P2

>  <MolWeight> (645)
360.233992

>  <Item Name> (645)
Ibandronate sodium

>  <Catalog Number> (645)
S3148

>  <Synonyms> (645)
N/A 

>  <Target> (645)
Others

>  <Form> (645)
Sodium

>  <URL> (645)
http://www.selleckchem.com/products/ibandronate-sodium.html

>  <CAS Number> (645)
138926-19-9

$$$$
Estradiol Valerate.cdx
csChFnd80/10101811552D

 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  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    3.5000    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
    8.6019    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    6.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    8.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2266    6.7302    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
   14.6430    6.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 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> (646)
1249

>  <Formula> (646)
C23H32O3

>  <MolWeight> (646)
356.49838

>  <Item Name> (646)
Estradiol valerate

>  <Catalog Number> (646)
S3149

>  <Synonyms> (646)
N/A 

>  <Target> (646)
Estrogen/progestogen Receptor

>  <Form> (646)
Free Base

>  <URL> (646)
http://www.selleckchem.com/products/estradiol-valerate.html

>  <CAS Number> (646)
979-32-8

$$$$
Benztropine mesylate.cdx
csChFnd80/10101811552D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.1714    5.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1714    4.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    3.6844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6309    3.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2383    5.2573    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6309    6.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    6.8302    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6283    5.4779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6335    5.2573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (647)
1255

>  <Formula> (647)
C22H29NO4S

>  <MolWeight> (647)
403.53496

>  <Item Name> (647)
Benztropine mesylate

>  <Catalog Number> (647)
S3163

>  <Synonyms> (647)
N/A 

>  <Target> (647)
Histamine Receptor

>  <Form> (647)
Mesylate

>  <URL> (647)
http://www.selleckchem.com/products/benztropine-mesylate.html

>  <CAS Number> (647)
132-17-2

$$$$
L-Arginine hydrochloride.cdx
csChFnd80/10101811552D

 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
    4.9264    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
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  1 11  2  0  0  0  0
  1 12  1  0  0  0  0
M  END
>  <Mol_ID> (648)
1256

>  <Formula> (648)
C6H15ClN4O2

>  <MolWeight> (648)
210.6619

>  <Item Name> (648)
L-Arginine HCl

>  <Catalog Number> (648)
S3174

>  <Synonyms> (648)
N/A 

>  <Target> (648)
NOS

>  <Form> (648)
HCl

>  <URL> (648)
http://www.selleckchem.com/products/l-Arginine-hydrochloride.html

>  <CAS Number> (648)
1119-34-2

$$$$
Brinzolamide.cdx
csChFnd80/10101811552D

 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
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    7.2332    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  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> (649)
1258

>  <Formula> (649)
C12H21N3O5S3

>  <MolWeight> (649)
383.50724

>  <Item Name> (649)
Brinzolamide

>  <Catalog Number> (649)
S3178

>  <Synonyms> (649)
Azopt 

>  <Target> (649)
Carbonic Anhydrase

>  <Form> (649)
Free Base

>  <URL> (649)
http://www.selleckchem.com/products/brinzolamide.html

>  <CAS Number> (649)
138890-62-7

$$$$
Eletriptan hydrobromide.cdx
csChFnd80/10101811552D

 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> (650)
1260

>  <Formula> (650)
C22H27BrN2O2S

>  <MolWeight> (650)
463.43098

>  <Item Name> (650)
Eletriptan HBr

>  <Catalog Number> (650)
S3180

>  <Synonyms> (650)
N/A 

>  <Target> (650)
5-HT Receptor

>  <Form> (650)
HBr

>  <URL> (650)
http://www.selleckchem.com/products/eletriptan-hydrobromide.html

>  <CAS Number> (650)
177834-92-3

$$$$
Flumequine.cdx
csChFnd80/10101811552D

 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> (651)
1261

>  <Formula> (651)
C14H12FNO3

>  <MolWeight> (651)
261.2483832

>  <Item Name> (651)
Flumequine

>  <Catalog Number> (651)
S3181

>  <Synonyms> (651)
N/A 

>  <Target> (651)
Topoisomerase

>  <Form> (651)
Free Base

>  <URL> (651)
http://www.selleckchem.com/products/flumequine.html

>  <CAS Number> (651)
42835-25-6

$$$$
Trifluoperazine dihydrochloride.cdx
csChFnd80/10101811552D

 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> (652)
1264

>  <Formula> (652)
C21H26Cl2F3N3S

>  <MolWeight> (652)
480.4174496

>  <Item Name> (652)
Trifluoperazine 2HCl

>  <Catalog Number> (652)
S3201

>  <Synonyms> (652)
 N/A 

>  <Target> (652)
Dopamine Receptor

>  <Form> (652)
Dihydrochlorid

>  <URL> (652)
http://www.selleckchem.com/products/trifluoperazine-dihydrochloride.html

>  <CAS Number> (652)
440-17-5

$$$$
Adrenalone hydrochloride.cdx
csChFnd80/10101811552D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.3000    1.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.7302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  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
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  6 13  2  0  0  0  0
M  END
>  <Mol_ID> (653)
1266

>  <Formula> (653)
C9H12ClNO3

>  <MolWeight> (653)
217.64948

>  <Item Name> (653)
Adrenalone HCl

>  <Catalog Number> (653)
S3185

>  <Synonyms> (653)
N/A 

>  <Target> (653)
Adrenergic Receptor

>  <Form> (653)
hydrochloride

>  <URL> (653)
http://www.selleckchem.com/products/adrenalone-hcl.html

>  <CAS Number> (653)
62-13-5

$$$$
Triflusal.cdx
csChFnd80/10101811552D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.0124    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    2.4249    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
    1.2124    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (654)
1269

>  <Formula> (654)
C10H7F3O4

>  <MolWeight> (654)
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>  <Item Name> (654)
Triflusal

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S3200

>  <Synonyms> (654)
N/A 

>  <Target> (654)
COX

>  <Form> (654)
Free Base

>  <URL> (654)
http://www.selleckchem.com/products/triflusal.html

>  <CAS Number> (654)
322-79-2

$$$$
AZD 6482.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (655)
1272

>  <Formula> (655)
C22H24N4O4

>  <MolWeight> (655)
408.45036

>  <Item Name> (655)
AZD6482

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S1462

>  <Synonyms> (655)
N/A 

>  <Target> (655)
PI3K

>  <Form> (655)
Free Base

>  <URL> (655)
http://www.selleckchem.com/products/azd6482.html

>  <CAS Number> (655)
1173900-33-8

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/10101811552D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (656)
1273

>  <Formula> (656)
C22H19ClN6O2S

>  <MolWeight> (656)
466.94326

>  <Item Name> (656)
Varlitinib

>  <Catalog Number> (656)
S2755

>  <Synonyms> (656)
ARRY334543

>  <Target> (656)
EGFR

>  <Form> (656)
Free Base

>  <URL> (656)
http://www.selleckchem.com/products/arry334543.html

>  <CAS Number> (656)
845272-21-1

$$$$
Xylazine HCl.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (657)
1274

>  <Formula> (657)
C12H17ClN2S

>  <MolWeight> (657)
256.79478

>  <Item Name> (657)
Xylazine HCl

>  <Catalog Number> (657)
S2516

>  <Synonyms> (657)
N/A 

>  <Target> (657)
Adrenergic Receptor

>  <Form> (657)
Hydrochloride

>  <URL> (657)
http://www.selleckchem.com/products/Xylazine(Rompun).html

>  <CAS Number> (657)
23076-35-9

$$$$
Fexofenadine HCl.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (658)
1276

>  <Formula> (658)
C32H40ClNO4

>  <MolWeight> (658)
538.1173

>  <Item Name> (658)
Fexofenadine HCl

>  <Catalog Number> (658)
S3208

>  <Synonyms> (658)
N/A 

>  <Target> (658)
Histamine Receptor

>  <Form> (658)
hydrochloride

>  <URL> (658)
http://www.selleckchem.com/products/fexofenadine-hcl.html

>  <CAS Number> (658)
153439-40-8

$$$$
Thiamine hydrochloride.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (659)
1278

>  <Formula> (659)
C12H18Cl2N4OS

>  <MolWeight> (659)
337.26852

>  <Item Name> (659)
Thiamine HCl (Vitamin B1)

>  <Catalog Number> (659)
S3211

>  <Synonyms> (659)
N/A

>  <Target> (659)
Vitamin

>  <Form> (659)
Hydrochloride

>  <URL> (659)
http://www.selleckchem.com/products/thiamine-hcl-vitamin-b1.html

>  <CAS Number> (659)
67-03-8

$$$$
Moclobemide.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (660)
1279

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C13H17ClN2O2

>  <MolWeight> (660)
268.73928

>  <Item Name> (660)
Moclobemide (Ro 111163)

>  <Catalog Number> (660)
S3212

>  <Synonyms> (660)
N/A 

>  <Target> (660)
MAO

>  <Form> (660)
Free Base

>  <URL> (660)
http://www.selleckchem.com/products/moclobemide.html

>  <CAS Number> (660)
71320-77-9

$$$$
Tideglusib.cdx
csChFnd80/10101811552D

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1280

>  <Formula> (661)
C19H14N2O2S

>  <MolWeight> (661)
334.39166

>  <Item Name> (661)
Tideglusib

>  <Catalog Number> (661)
S2823

>  <Synonyms> (661)
N/A 

>  <Target> (661)
GSK-3

>  <Form> (661)
Free Base

>  <URL> (661)
http://www.selleckchem.com/products/tideglusib.html

>  <CAS Number> (661)
865854-05-3 

$$$$
ARN-509.cdx
csChFnd80/10101811552D

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1281

>  <Formula> (662)
C21H15F4N5O2S

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>  <Item Name> (662)
ARN-509

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S2840

>  <Synonyms> (662)
N/A 

>  <Target> (662)
Adrenergic Receptor

>  <Form> (662)
Free Base

>  <URL> (662)
http://www.selleckchem.com/products/arn-509.html

>  <CAS Number> (662)
956104-40-8

$$$$
carfilzomib(PR-171).cdx
csChFnd80/10101811552D

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Proteasome

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868540-17-4

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N/A 

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COX

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>  <CAS Number> (664)
N/A 

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BML-190.cdx
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Indomethacin Morpholinylamide 

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Cannabinoid Receptor

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Free Base

>  <URL> (665)
http://www.selleckchem.com/products/bml-190.html

>  <CAS Number> (665)
2854-32-2

$$$$
Semaxanib.cdx
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VEGFR

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194413-58-6

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$$$$
Equol.cdx
csChFnd80/10101811552D

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1292

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C15H14O3

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Equol

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S2450

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N/A 

>  <Target> (668)
Estrogen/progestogen Receptor

>  <Form> (668)
Free Base

>  <URL> (668)
http://www.selleckchem.com/products/equol.html

>  <CAS Number> (668)
531-95-3

$$$$
AM251.cdx
csChFnd80/10101811552D

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1295

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C22H21Cl2IN4O

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555.23881

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AM251

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S2819

>  <Synonyms> (669)
N/A 

>  <Target> (669)
Cannabinoid Receptor

>  <Form> (669)
Free Base

>  <URL> (669)
http://www.selleckchem.com/products/am251.html

>  <CAS Number> (669)
183232-66-8

$$$$
Otilonium Bromide.cdx
csChFnd80/10101811552D

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1297

>  <Formula> (670)
C29H43BrN2O4

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563.56672

>  <Item Name> (670)
Otilonium Bromide

>  <Catalog Number> (670)
S3047

>  <Synonyms> (670)
N/A

>  <Target> (670)
AChR

>  <Form> (670)
quaternary-N bromide salt

>  <URL> (670)
http://www.selleckchem.com/products/otilonium-bromide.html

>  <CAS Number> (670)
26095-59-0

$$$$
IMD0354.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (671)
1300

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C15H8ClF6NO2

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S2864

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N/A

>  <Target> (671)
IKK

>  <Form> (671)
Free Base

>  <URL> (671)
http://www.selleckchem.com/products/imd-0354.html

>  <CAS Number> (671)
978-62-1

$$$$
ML130.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (676)
1309

>  <Formula> (676)
C33H34N4O6

>  <MolWeight> (676)
582.64626

>  <Item Name> (676)
Azelnidipine

>  <Catalog Number> (676)
S3053

>  <Synonyms> (676)
N/A

>  <Target> (676)
Calcium Channel

>  <Form> (676)
Free Base

>  <URL> (676)
http://www.selleckchem.com/products/azelnidipine.html

>  <CAS Number> (676)
123524-52-7

$$$$
Solifenacin succinate.cdx
csChFnd80/10101811552D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (677)
1310

>  <Formula> (677)
C27H32N2O6

>  <MolWeight> (677)
480.55278

>  <Item Name> (677)
Solifenacin succinate

>  <Catalog Number> (677)
S3048

>  <Synonyms> (677)
N/A

>  <Target> (677)
AChR

>  <Form> (677)
Succinate

>  <URL> (677)
http://www.selleckchem.com/products/solifenacin-succinate.html

>  <CAS Number> (677)
242478-38-2

$$$$
Forskolin.cdx
csChFnd80/10101811552D

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    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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M  END
>  <Mol_ID> (678)
1312

>  <Formula> (678)
C22H34O7

>  <MolWeight> (678)
410.50116

>  <Item Name> (678)
Forskolin

>  <Catalog Number> (678)
S2449

>  <Synonyms> (678)
Coleonol

>  <Target> (678)
cAMP

>  <Form> (678)
Free Base

>  <URL> (678)
http://www.selleckchem.com/products/forskolin.html

>  <CAS Number> (678)
66575-29-9

$$$$
Enrofloxacin.cdx
csChFnd80/10101811552D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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M  END
>  <Mol_ID> (679)
1316

>  <Formula> (679)
C19H22FN3O3

>  <MolWeight> (679)
359.3946832

>  <Item Name> (679)
Enrofloxacin

>  <Catalog Number> (679)
S3059

>  <Synonyms> (679)
N/A

>  <Target> (679)
Antifection

>  <Form> (679)
Free Base

>  <URL> (679)
http://www.selleckchem.com/products/enrofloxacin.html

>  <CAS Number> (679)
93106-60-6

$$$$
Hypoxanthine.cdx
csChFnd80/10101811552D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (680)
1319

>  <Formula> (680)
C5H4N4O

>  <MolWeight> (680)
136.11146

>  <Item Name> (680)
Hypoxanthine

>  <Catalog Number> (680)
S2424

>  <Synonyms> (680)
N/A

>  <Target> (680)
Others

>  <Form> (680)
Free Base

>  <URL> (680)
http://www.selleckchem.com/products/hypoxanthine.html

>  <CAS Number> (680)
68-94-0

$$$$
(R)-baclofen.cdx
csChFnd80/10101811552D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (681)
1325

>  <Formula> (681)
C10H12ClNO2

>  <MolWeight> (681)
213.66078

>  <Item Name> (681)
(R)-baclofen

>  <Catalog Number> (681)
S3072

>  <Synonyms> (681)
N/A

>  <Target> (681)
GABA Receptor

>  <Form> (681)
Free Base

>  <URL> (681)
http://www.selleckchem.com/products/r-baclofen.html

>  <CAS Number> (681)
69308-37-8

$$$$
Dexmedetomidine.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (682)
1326

>  <Formula> (682)
C13H16N2

>  <MolWeight> (682)
200.27954

>  <Item Name> (682)
Dexmedetomidine

>  <Catalog Number> (682)
S3075

>  <Synonyms> (682)
N/A

>  <Target> (682)
Adrenergic Receptor

>  <Form> (682)
Free Base

>  <URL> (682)
http://www.selleckchem.com/products/dexmedetomidine.html

>  <CAS Number> (682)
113775-47-6

$$$$
untitled.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (683)
1329

>  <Formula> (683)
C21H46NO4P

>  <MolWeight> (683)
407.568001

>  <Item Name> (683)
Miltefosine (Hexadecylphosphocholine)

>  <Catalog Number> (683)
S3056

>  <Synonyms> (683)
N/A

>  <Target> (683)
Akt

>  <Form> (683)
Free Base

>  <URL> (683)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

>  <CAS Number> (683)
58066-85-6

$$$$
Schisandrin B.cdx
csChFnd80/10101811552D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (684)
1331

>  <Formula> (684)
C23H28O6

>  <MolWeight> (684)
400.46482

>  <Item Name> (684)
Schisandrin B

>  <Catalog Number> (684)
S3600

>  <Synonyms> (684)
N/A

>  <Target> (684)
Others

>  <Form> (684)
Free Base

>  <URL> (684)
http://www.selleckchem.com/products/schisandrin-b.html

>  <CAS Number> (684)
61281-37-6

$$$$
Gambogic acid.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (685)
1332

>  <Formula> (685)
C38H44O8

>  <MolWeight> (685)
628.75116

>  <Item Name> (685)
Gambogic Acid

>  <Catalog Number> (685)
S2448

>  <Synonyms> (685)
N/A

>  <Target> (685)
Bcl-2,Caspase

>  <Form> (685)
Free Base

>  <URL> (685)
http://www.selleckchem.com/products/gambogic-acid.html

>  <CAS Number> (685)
2752-65-0

$$$$
etravirine (TMC125).cdx
csChFnd80/10101811552D

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>  <Formula> (686)
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>  <MolWeight> (686)
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Etravirine (TMC125)

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S3080

>  <Synonyms> (686)
N/A

>  <Target> (686)
Reverse Transcriptase

>  <Form> (686)
Free Base

>  <URL> (686)
http://www.selleckchem.com/products/etravirine-tmc125.html

>  <CAS Number> (686)
269055-15-4

$$$$
U-104.cdx
csChFnd80/10101811552D

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U-104

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S2866

>  <Synonyms> (687)
N/A

>  <Target> (687)
Carbonic Anhydrase

>  <Form> (687)
Free Base

>  <URL> (687)
http://www.selleckchem.com/products/u-104.html

>  <CAS Number> (687)
178606-66-1

$$$$
Rupatadine fumarate.cdx
csChFnd80/10101811552D

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>  <Formula> (688)
C30H30ClN3O4

>  <MolWeight> (688)
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>  <Item Name> (688)
Rupatadine Fumarate

>  <Catalog Number> (688)
S3052

>  <Synonyms> (688)
N/A

>  <Target> (688)
Histamine Receptor

>  <Form> (688)
Fumarate

>  <URL> (688)
http://www.selleckchem.com/products/rupatadine-fumarate.html

>  <CAS Number> (688)
182349-12-8

$$$$
GW4064.cdx
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1339

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C28H22Cl3NO4

>  <MolWeight> (689)
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GW 4064

>  <Catalog Number> (689)
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>  <Synonyms> (689)
N/A

>  <Target> (689)
FXR

>  <Form> (689)
Free Base

>  <URL> (689)
http://www.selleckchem.com/products/gw-4064.html

>  <CAS Number> (689)
278779-30-9

$$$$
VU 0364770.cdx
csChFnd80/10101811552D

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>  <Formula> (690)
C12H9ClN2O

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S2862

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N/A

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GluR

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Free Base

>  <URL> (690)
http://www.selleckchem.com/products/vu-0364770.html

>  <CAS Number> (690)
61350-00-3

$$$$
L-NAME HCl.cdx
csChFnd80/10101811552D

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C7H16ClN5O4

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L-NAME HCl

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S2877

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N/A

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NOS

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Hydrochloride

>  <URL> (691)
http://www.selleckchem.com/products/l-name-hcl.html

>  <CAS Number> (691)
51298-62-5

$$$$
Ambroxol HCl.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (692)
1344

>  <Formula> (692)
C13H19Br2ClN2O

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>  <Item Name> (692)
Ambroxol HCl

>  <Catalog Number> (692)
S3064

>  <Synonyms> (692)
N/A

>  <Target> (692)
Sodium Channel

>  <Form> (692)
Hydrochloride

>  <URL> (692)
http://www.selleckchem.com/products/ambroxol-hcl.html

>  <CAS Number> (692)
23828-92-4

$$$$
IEM 1754 dihydrobroMide.cdx
csChFnd80/10101811552D

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C16H32Br2N2

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>  <Item Name> (693)
IEM 1754 dihydrobroMide

>  <Catalog Number> (693)
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>  <Synonyms> (693)
N/A

>  <Target> (693)
5-HT Receptor

>  <Form> (693)
DihydrobroMide

>  <URL> (693)
http://www.selleckchem.com/products/iem-1754-dihydrobromide.html

>  <CAS Number> (693)
162831-31-4

$$$$
IKK-16.cdx
csChFnd80/10101811552D

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C28H29N5OS

>  <MolWeight> (694)
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>  <Item Name> (694)
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>  <Catalog Number> (694)
S2882

>  <Synonyms> (694)
N/A

>  <Target> (694)
IKK

>  <Form> (694)
Free Base

>  <URL> (694)
http://www.selleckchem.com/products/ikk-16.html

>  <CAS Number> (694)
873225-46-8

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/10101811552D

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1348

>  <Formula> (695)
C18H21N5O2

>  <MolWeight> (695)
339.39164

>  <Item Name> (695)
Alogliptin

>  <Catalog Number> (695)
S5365

>  <CAS Number> (695)
850649-61-5

$$$$
Indacaterol Maleate.cdx
csChFnd80/10101811552D

 37 39  0  0  0  0  0  0  0  0999 V2000
   12.4779    6.5090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
   14.9028    5.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0531    2.3090    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8406    3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0531    0.9090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6282    2.3090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1368    2.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2694    4.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    5.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1165    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3289    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1165    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3247    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3289    5.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5371    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3247    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5329    2.0927    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  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
  2 11  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  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  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
 17 25  1  0  0  0  0
 20 25  2  0  0  0  0
 26 27  1  0  0  0  0
 23 26  1  0  0  0  0
 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
 30 32  2  0  0  0  0
 32 33  1  0  0  0  0
 31 34  2  0  0  0  0
 31 35  1  0  0  0  0
 33 36  2  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <Mol_ID> (696)
1349

>  <Formula> (696)
C28H32N2O7

>  <MolWeight> (696)
508.56288

>  <Item Name> (696)
Indacaterol Maleate

>  <Catalog Number> (696)
S3083

>  <Synonyms> (696)
N/A

>  <Target> (696)
Adrenergic Receptor

>  <Form> (696)
Maleate

>  <URL> (696)
http://www.selleckchem.com/products/indacaterol-maleate.html

>  <CAS Number> (696)
753498-25-8

$$$$
Hygromycin B.cdx
csChFnd80/10101811552D

 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
    1.2082    7.1856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    6.4856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    7.1856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    8.5856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    9.2856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207   10.6808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.4881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.0929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6180    4.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5961    3.0122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7973    2.2933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0206    2.9741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0426    4.3740    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3451    2.5206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1857    3.6402    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3451    4.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770    2.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    3.0502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7754    0.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2049    5.7596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7206    1.7617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8758    2.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2758    2.4221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9856    3.6402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2758    4.8583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8758    4.8583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1733    6.0637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9709    6.0679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3808    3.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9709    1.2125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3660    1.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0612    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2709    0.0056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954    5.8333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5758    1.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.3784    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
  6  7  1  6  0  0  0
  2  8  1  6  0  0  0
  5  9  1  1  0  0  0
  3 10  1  1  0  0  0
  4 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  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  1  0  0  0  0
 20 17  1  0  0  0  0
 14 21  1  1  0  0  0
 21 22  1  0  0  0  0
 15 23  1  1  0  0  0
 17 24  1  6  0  0  0
 16 25  1  6  0  0  0
 19 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 19  1  0  0  0  0
 30 31  1  6  0  0  0
 29 32  1  1  0  0  0
 28 33  1  1  0  0  0
 27 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  6  0  0  0
  4 38  1  1  0  0  0
 27 39  1  6  0  0  0
  7 40  1  0  0  0  0
M  END
>  <Mol_ID> (697)
1351

>  <Formula> (697)
C20H37N3O13

>  <MolWeight> (697)
527.52008

>  <Item Name> (697)
Hygromycin B

>  <Catalog Number> (697)
S2908

>  <Synonyms> (697)
N/A

>  <Target> (697)
Antifection

>  <Form> (697)
Free Base

>  <URL> (697)
http://www.selleckchem.com/products/hygromycin-b.html

>  <CAS Number> (697)
31282-04-9

$$$$
Betulinic acid.cdx
csChFnd80/10101811552D

 37 41  0  0  0  0  0  0  0  0999 V2000
    8.5250    6.2476    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    6.1067    3.4517    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8855    5.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6739    3.4517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9149    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6739    2.0538    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4622    4.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4622    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2360    3.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2360    2.0538    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    1.3377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3134    6.9491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6627    4.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0986    4.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6627    0.6657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8777    2.7522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4637    0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8245    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5262    8.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  6  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  7  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 30  1  1  0  0  0
  4 10  1  0  0  0  0
  4 11  1  6  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  6  0  0  0
  8 12  1  0  0  0  0
  9 17  1  0  0  0  0
 11 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 32  1  1  0  0  0
 17 19  1  0  0  0  0
 19 21  1  0  0  0  0
 19 34  1  6  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 31  1  1  0  0  0
 22 23  1  0  0  0  0
 23 25  1  0  0  0  0
 23 33  1  6  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 35  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 25 36  1  0  0  0  0
 11 37  1  0  0  0  0
M  END
>  <Mol_ID> (698)
1352

>  <Formula> (698)
C30H48O3

>  <MolWeight> (698)
456.70032

>  <Item Name> (698)
Betulinic acid

>  <Catalog Number> (698)
S3603

>  <Target> (698)
N/A

>  <Form> (698)
Free Base

>  <URL> (698)
http://www.selleckchem.com/products/betulinic-acid.html

>  <CAS Number> (698)
472-15-1

$$$$
PF-562271.cdx
csChFnd80/10101811552D

 35 38  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 S   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
    1.2124    2.8000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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Tyrphostin 9 (SF 6847)

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S2895

>  <Synonyms> (704)
Tyrphostin AG 17, Malonaben, NSC 242557, RG-50872

>  <Target> (704)
EGFR

>  <Form> (704)
Free Base

>  <URL> (704)
http://www.selleckchem.com/products/tyrphostin-9-sf-6847.html

>  <CAS Number> (704)
10537-47-0

$$$$
ZM323881 HCl.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (705)
1365

>  <Formula> (705)
C22H19ClFN3O2

>  <MolWeight> (705)
411.8565632

>  <Item Name> (705)
ZM 323881 HCl

>  <Catalog Number> (705)
S2896

>  <Synonyms> (705)
N/A

>  <Target> (705)
VEGFR

>  <Form> (705)
Hydrochloride

>  <URL> (705)
http://www.selleckchem.com/products/zm-323881-hcl.html

>  <CAS Number> (705)
193000-39-4

$$$$
ZM306416.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (706)
1366

>  <Formula> (706)
C16H13ClFN3O2

>  <MolWeight> (706)
333.7447232

>  <Item Name> (706)
ZM 306416

>  <Catalog Number> (706)
S2897

>  <Synonyms> (706)
N/A

>  <Target> (706)
VEGFR

>  <Form> (706)
Free Base

>  <URL> (706)
http://www.selleckchem.com/products/zm-306416.html

>  <CAS Number> (706)
690206-97-4

$$$$
S-Ruxolitinib.cdx
csChFnd80/10101811552D

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1368

>  <Formula> (707)
C17H18N6

>  <MolWeight> (707)
306.36502

>  <Item Name> (707)
S-Ruxolitinib

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S2902

>  <Synonyms> (707)
N/A

>  <Target> (707)
JAK

>  <Form> (707)
Free Base

>  <URL> (707)
http://www.selleckchem.com/products/s-ruxolitinib.html

>  <CAS Number> (707)
941685-37-6

$$$$
Lumiracoxib.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (708)
1369

>  <Formula> (708)
C15H13ClFNO2

>  <MolWeight> (708)
293.7206232

>  <Item Name> (708)
Lumiracoxib (COX-189)

>  <Catalog Number> (708)
S2903

>  <Synonyms> (708)
N/A

>  <Target> (708)
COX

>  <Form> (708)
Free Base

>  <URL> (708)
http://www.selleckchem.com/products/lumiracoxib-cox-189.html

>  <CAS Number> (708)
220991-20-8

$$$$
G-418 sulphate.cdx
csChFnd80/10101811552D

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   13.1167    2.4695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3454    1.0558    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3846    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2884    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4486    1.9338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420    1.9338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  4  9  1  1  0  0  0
  4  8  1  0  0  0  0
  5 10  1  6  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  1  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  1  0  0  0
 12 16  1  0  0  0  0
 12 17  1  1  0  0  0
 13 18  1  0  0  0  0
 14 19  1  6  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  6  0  0  0
 18 21  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  6  0  0  0
 21 26  1  1  0  0  0
 21 27  1  6  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 23 30  1  1  0  0  0
 24 31  1  1  0  0  0
 24 29  1  0  0  0  0
 29 32  1  6  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  2  0  0  0  0
 35 39  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  2  0  0  0  0
 40 44  2  0  0  0  0
M  END
>  <Mol_ID> (709)
1372

>  <Formula> (709)
C20H44N4O18S2

>  <MolWeight> (709)
692.70936

>  <Item Name> (709)
Geneticin (G418 Sulfate)

>  <Catalog Number> (709)
S3028

>  <Synonyms> (709)
N/A

>  <Target> (709)
Antifection

>  <Form> (709)
Disulfate

>  <URL> (709)
http://www.selleckchem.com/products/geneticin-g418-sulfate.html

>  <CAS Number> (709)
108321-42-2

$$$$
ABILIFY (aripiprazole).cdx
csChFnd80/10101811552D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.3073    2.1000    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
   14.5198    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9446    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9446    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3653    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
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    0.0024    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
    7.2662    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    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
    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
    3.6331    4.8951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 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  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 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (710)
1374

>  <Formula> (710)
C23H27Cl2N3O2

>  <MolWeight> (710)
448.38538

>  <Item Name> (710)
Aripiprazole (Abilify)

>  <Catalog Number> (710)
S1975

>  <Synonyms> (710)
N/A

>  <Target> (710)
5-HT Receptor

>  <Form> (710)
Free Base

>  <URL> (710)
http://www.selleckchem.com/products/aripiprazole-abilify.html

>  <CAS Number> (710)
129722-12-9

$$$$
Duloxetine hydrochloride.cdx
csChFnd80/10101811552D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.5660    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5660    4.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7785    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9909    4.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9909    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7785    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2033    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4158    4.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4158    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2033    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7785    2.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5702    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    7.2075    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.4326    4.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
  3 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 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> (711)
1375

>  <Formula> (711)
C18H20ClNOS

>  <MolWeight> (711)
333.8755

>  <Item Name> (711)
Duloxetine HCl (Cymbalta)

>  <Catalog Number> (711)
S2084

>  <Synonyms> (711)
N/A

>  <Target> (711)
5-HT Receptor

>  <Form> (711)
HCl

>  <URL> (711)
http://www.selleckchem.com/products/duloxetine-hcl-cymbalta.html

>  <CAS Number> (711)
136434-34-9

$$$$
Almotriptan malate.cdx
csChFnd80/10101811552D

 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
    0.0000    5.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.0279    6.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3926    6.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3261    5.5142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8950    4.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6907    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5841    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (712)
1376

>  <Formula> (712)
C21H31N3O7S

>  <MolWeight> (712)
469.55174

>  <Item Name> (712)
Almotriptan malate (Axert)

>  <Catalog Number> (712)
S2096

>  <Synonyms> (712)
N/A

>  <Target> (712)
5-HT Receptor

>  <Form> (712)
Malate

>  <URL> (712)
http://www.selleckchem.com/products/almotriptan-malate-axert.html

>  <CAS Number> (712)
181183-52-8

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/10101811552D

 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
    6.9999    7.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.8229    0.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  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> (713)
1379

>  <Formula> (713)
C19H21ClFNO3

>  <MolWeight> (713)
365.8263432

>  <Item Name> (713)
Paroxetine HCl

>  <Catalog Number> (713)
S3005

>  <Synonyms> (713)
N/A

>  <Target> (713)
5-HT Receptor

>  <Form> (713)
Hydrochloride

>  <URL> (713)
http://www.selleckchem.com/products/paroxetine-hcl.html

>  <CAS Number> (713)
78246-49-8

$$$$
Ivabradine hydrocloride.cdx
csChFnd80/10101811552D

 35 37  0  0  0  0  0  0  0  0999 V2000
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    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
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   11.7093   17.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
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  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
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 31 33  1  0  0  0  0
 25 34  2  0  0  0  0
M  END
>  <Mol_ID> (714)
1381

>  <Formula> (714)
C27H37ClN2O5

>  <MolWeight> (714)
505.04608

>  <Item Name> (714)
Ivabradine HCl (Procoralan)

>  <Catalog Number> (714)
S2086

>  <Synonyms> (714)
N/A

>  <Target> (714)
Adrenergic Receptor

>  <Form> (714)
HCl

>  <URL> (714)
http://www.selleckchem.com/products/ivabradine-hcl-procoralan.html

>  <CAS Number> (714)
148849-67-6

$$$$
Betaxolol.cdx
csChFnd80/10101811552D

 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
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    9.6076    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8076    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0027    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7003    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1003    1.2082    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.7979    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1979    2.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8954    3.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2906    3.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1979    4.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7979    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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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  9 15  1  0  0  0  0
  6 16  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
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (715)
1382

>  <Formula> (715)
C18H29NO3

>  <MolWeight> (715)
307.42776

>  <Item Name> (715)
Betaxolol (Betoptic)

>  <Catalog Number> (715)
S2091

>  <Synonyms> (715)
N/A

>  <Target> (715)
Adrenergic Receptor

>  <Form> (715)
Free Base

>  <URL> (715)
http://www.selleckchem.com/products/betaxolol-betoptic.html

>  <CAS Number> (715)
659-18-7

$$$$
Detomidine hydrochloride.cdx
csChFnd80/10101811552D

 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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    7.0571    2.1000    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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 14 10  2  0  0  0  0
M  END
>  <Mol_ID> (716)
1383

>  <Formula> (716)
C12H15ClN2

>  <MolWeight> (716)
222.7139

>  <Item Name> (716)
Detomidine HCl

>  <Catalog Number> (716)
S2092

>  <Synonyms> (716)
N/A

>  <Target> (716)
Adrenergic Receptor

>  <Form> (716)
HCl

>  <URL> (716)
http://www.selleckchem.com/products/detomidine-hcl.html

>  <CAS Number> (716)
90038-01-0

$$$$
Cisatracurium besylate.cdx
csChFnd80/10101811552D

 87 92  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (717)
1384

>  <Formula> (717)
C65H82N2O18S2

>  <MolWeight> (717)
1243.47918

>  <Item Name> (717)
Cisatracurium besylate (Nimbex)

>  <Catalog Number> (717)
S2113

>  <Synonyms> (717)
N/A

>  <Target> (717)
Adrenergic Receptor

>  <Form> (717)
Besylate

>  <URL> (717)
http://www.selleckchem.com/products/cisatracurium-besylate-nimbex.html

>  <CAS Number> (717)
96946-42-8

$$$$
Trimebutine.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (718)
1386

>  <Formula> (718)
C22H29NO5

>  <MolWeight> (718)
387.46936

>  <Item Name> (718)
Trimebutine

>  <Catalog Number> (718)
S2085

>  <Synonyms> (718)
N/A

>  <Target> (718)
Opioid Receptor

>  <Form> (718)
Free Base

>  <URL> (718)
http://www.selleckchem.com/products/trimebutine.html

>  <CAS Number> (718)
39133-31-8

$$$$
PF477736.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (719)
1389

>  <Formula> (719)
C22H25N7O2

>  <MolWeight> (719)
419.4796

>  <Item Name> (719)
PF 477736

>  <Catalog Number> (719)
S2904

>  <Synonyms> (719)
PF-00477736

>  <Target> (719)
Chk

>  <Form> (719)
Free Base

>  <URL> (719)
http://www.selleckchem.com/products/pf-477736.html

>  <CAS Number> (719)
952021-60-2

$$$$
Go 6983.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (720)
1391

>  <Formula> (720)
C26H26N4O3

>  <MolWeight> (720)
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>  <Item Name> (720)
Go 6983

>  <Catalog Number> (720)
S2911

>  <Synonyms> (720)
N/A

>  <Target> (720)
PKC

>  <Form> (720)
Free Base

>  <URL> (720)
http://www.selleckchem.com/products/go-6983.html

>  <CAS Number> (720)
133053-19-7

$$$$
Dapivirine.cdx
csChFnd80/10101811552D

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PLK

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Free Base

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http://www.selleckchem.com/products/mln0905.html

>  <CAS Number> (725)
1228960-69-7

$$$$
icotinib.cdx
csChFnd80/10101811552D

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Icotinib

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BPI-2009H 

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EGFR

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Free Base

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

>  <CAS Number> (726)
610798-31-7

$$$$
TAK 715.cdx
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N/A 

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p38 MAPK

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Free Base

>  <URL> (727)
http://www.selleckchem.com/products/tak-715.html

>  <CAS Number> (727)
303162-79-0

$$$$
TDZD-8.cdx
csChFnd80/10101811552D

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GSK-3

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Free Base

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http://www.selleckchem.com/products/tdzd-8.html

>  <CAS Number> (728)
327036-89-5 

$$$$
Fluvoxamine maleate.cdx
csChFnd80/10101811552D

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C19H25F3N2O6

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Fluvoxamine maleate

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Luvox

>  <Target> (729)
5-HT Receptor

>  <Form> (729)
Maleate

>  <URL> (729)
http://www.selleckchem.com/products/Fluvoxamine-maleate.html

>  <CAS Number> (729)
61718-82-9

$$$$
Oxcarbazepine.cdx
csChFnd80/10101811552D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
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 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> (730)
1407

>  <Formula> (730)
C15H12N2O2

>  <MolWeight> (730)
252.26798

>  <Item Name> (730)
Oxcarbazepine

>  <Catalog Number> (730)
S1391

>  <Synonyms> (730)
Trileptal

>  <Target> (730)
Sodium Channel

>  <Form> (730)
Free Base

>  <URL> (730)
http://www.selleckchem.com/products/Oxcarbazepine.html

>  <CAS Number> (730)
28721-07-5

$$$$
H-89.cdx
csChFnd80/10101811552D

 29 29  0  0  0  0  0  0  0  0999 V2000
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   13.3031    2.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    3.3034    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.1681    3.0529    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (731)
1413

>  <Formula> (731)
C20H22BrCl2N3O2S

>  <MolWeight> (731)
519.28258

>  <Item Name> (731)
H 89 2HCl

>  <Catalog Number> (731)
S1582

>  <Synonyms> (731)
N/A

>  <Target> (731)
S6 Kinase

>  <Form> (731)
Dihydrochloride

>  <URL> (731)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

>  <CAS Number> (731)
130964-39-5

$$$$
Tizanidine hydrochloride.cdx
csChFnd80/10101811552D

 17 18  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
  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
  6 10  1  0  0  0  0
  1 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (732)
1419

>  <Formula> (732)
C9H9Cl2N5S

>  <MolWeight> (732)
290.17226

>  <Item Name> (732)
Tizanidine HCl

>  <Catalog Number> (732)
S1437

>  <Synonyms> (732)
Zanaflex, Sirdalud

>  <Target> (732)
Adrenergic Receptor

>  <Form> (732)
Hydrochloride

>  <URL> (732)
http://www.selleckchem.com/products/Tizanidine-hydrochloride.html

>  <CAS Number> (732)
64461-82-1

$$$$
Calcifediol.cdx
csChFnd80/10101811552D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (733)
1421

>  <Formula> (733)
C27H44O2

>  <MolWeight> (733)
400.63706

>  <Item Name> (733)
Calcifediol

>  <Catalog Number> (733)
S1469

>  <Synonyms> (733)
Calcidiol, Didrogyl, Hidroferol

>  <Target> (733)
Vitamin

>  <Form> (733)
Free Base

>  <URL> (733)
http://www.selleckchem.com/products/Calcifediol.html

>  <CAS Number> (733)
19356-17-3

$$$$
Linezolid.cdx
csChFnd80/10101811552D

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 30 35  2  0  0  0  0
M  END
>  <Mol_ID> (734)
1423

>  <Formula> (734)
C23H23N7O5

>  <MolWeight> (734)
477.47262

>  <Item Name> (734)
Pralatrexate(Folotyn)

>  <Catalog Number> (734)
S1497

>  <Synonyms> (734)
Folotyn

>  <Target> (734)
DHFR

>  <Form> (734)
Free Base

>  <URL> (734)
http://www.selleckchem.com/products/Pralatrexate(Folotyn).html

>  <CAS Number> (734)
146464-95-1

$$$$
DEPEN (penicillamine).cdx
csChFnd80/10101811552D

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9191    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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> (735)
1426

>  <Formula> (735)
C5H11NO2S

>  <MolWeight> (735)
149.21134

>  <Item Name> (735)
Penicillamine (Cuprimine)

>  <Catalog Number> (735)
S1853

>  <Synonyms> (735)
Depen, Distamine, D-Mercaptovaline, D-Penamine, Kuprenil

>  <Target> (735)
Others

>  <Form> (735)
Free Base

>  <URL> (735)
http://www.selleckchem.com/products/Penicillamine(Cuprimine).html

>  <CAS Number> (735)
52-67-5

$$$$
Sarafloxacin hydrochloride.cdx
csChFnd80/10101811552D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4165    8.2688    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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 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (736)
1436

>  <Formula> (736)
C20H18ClF2N3O3

>  <MolWeight> (736)
421.8250264

>  <Item Name> (736)
Sarafloxacin HCl

>  <Catalog Number> (736)
S1977

>  <Synonyms> (736)
N/A

>  <Target> (736)
Antifection

>  <Form> (736)
Hydrochloride

>  <URL> (736)
http://www.selleckchem.com/products/sarafloxacin-hydrochloride.html

>  <CAS Number> (736)
91296-87-6

$$$$
Flunarizine dihydrochloride.cdx
csChFnd80/10101811552D

 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
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   16.2042    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.6744    6.2879    0.0000 C   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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 29 30  2  0  0  0  0
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M  END
>  <Mol_ID> (737)
1438

>  <Formula> (737)
C26H28Cl2F2N2

>  <MolWeight> (737)
477.4167264

>  <Item Name> (737)
Flunarizine 2HCl

>  <Catalog Number> (737)
S2030

>  <Synonyms> (737)
N/A

>  <Target> (737)
Calcium Channel

>  <Form> (737)
2HCl

>  <URL> (737)
http://www.selleckchem.com/products/flunarizine-dihydrochloride.html

>  <CAS Number> (737)
30484-77-6

$$$$
ADENOSINE (adenosine).cdx
csChFnd80/10101811552D

 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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    7.2578    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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M  END
>  <Mol_ID> (738)
1442

>  <Formula> (738)
C24H36O5

>  <MolWeight> (738)
404.53964

>  <Item Name> (738)
Lovastatin (Mevacor)

>  <Catalog Number> (738)
S2061

>  <Synonyms> (738)
N/A

>  <Target> (738)
HMG-CoA Reductase

>  <Form> (738)
Free Base

>  <URL> (738)
http://www.selleckchem.com/products/lovastatin-mevacor.html

>  <CAS Number> (738)
75330-75-5

$$$$
LIQUID PRED (Lisinopril).cdx
csChFnd80/10101811552D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (739)
1451

>  <Formula> (739)
C21H31N3O5

>  <MolWeight> (739)
405.48794

>  <Item Name> (739)
Lisinopril (Zestril)

>  <Catalog Number> (739)
S2076

>  <Synonyms> (739)
Prinivil

>  <Target> (739)
RAAS

>  <Form> (739)
Free Base

>  <URL> (739)
http://www.selleckchem.com/products/lisinopril-zestril.html

>  <CAS Number> (739)
83915-83-7

$$$$
Atorvastatin calcium.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (740)
1452

>  <Formula> (740)
C66H68CaF2N4O10

>  <MolWeight> (740)
1155.3417264

>  <Item Name> (740)
Atorvastatin calcium (Lipitor)

>  <Catalog Number> (740)
S2077

>  <Synonyms> (740)
N/A

>  <Target> (740)
HMG-CoA Reductase

>  <Form> (740)
Calcium 

>  <URL> (740)
http://www.selleckchem.com/products/atorvastatin-calcium-lipitor.html

>  <CAS Number> (740)
134523-03-8

$$$$
Moexipril hydrochloride.cdx
csChFnd80/10101811552D

 37 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (741)
1454

>  <Formula> (741)
C27H35ClN2O7

>  <MolWeight> (741)
535.029

>  <Item Name> (741)
Moexipril HCl

>  <Catalog Number> (741)
S2079

>  <Synonyms> (741)
N/A

>  <Target> (741)
RAAS

>  <Form> (741)
Hydrochloride

>  <URL> (741)
http://www.selleckchem.com/products/moexipril-hydrochloride.html

>  <CAS Number> (741)
82586-52-5

$$$$
Cleviprex.cdx
csChFnd80/10101811552D

 30 31  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
    1.2124    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0453    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825    0.0000    0.0000 N   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
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 15  9  1  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> (742)
1455

>  <Formula> (742)
C21H23Cl2NO6

>  <MolWeight> (742)
456.31642

>  <Item Name> (742)
Clevidipine Butyrate

>  <Catalog Number> (742)
S2080

>  <Synonyms> (742)
N/A

>  <Target> (742)
Calcium Channel

>  <Form> (742)
Free Base

>  <URL> (742)
http://www.selleckchem.com/products/cleviprex-clevidipine.html

>  <CAS Number> (742)
167221-71-8

$$$$
Fosinopril sodium.cdx
csChFnd80/10101811552D

 40 41  0  0  0  0  0  0  0  0999 V2000
    6.9951   14.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8116   16.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6034   18.1773    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
M  END
>  <Mol_ID> (743)
1461

>  <Formula> (743)
C30H45NNaO7P

>  <MolWeight> (743)
585.644331

>  <Item Name> (743)
Fosinopril sodium (Monopril)

>  <Catalog Number> (743)
S2095

>  <Synonyms> (743)
N/A

>  <Target> (743)
RAAS

>  <Form> (743)
Sodium Salt

>  <URL> (743)
http://www.selleckchem.com/products/fosinopril-sodium-monopril.html

>  <CAS Number> (743)
88889-14-9

$$$$
Temocapril hydrochloride.cdx
csChFnd80/10101811552D

 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
    0.0000    2.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    4.7372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 32 28  2  0  0  0  0
M  END
>  <Mol_ID> (744)
1464

>  <Formula> (744)
C23H29ClN2O5S2

>  <MolWeight> (744)
513.06976

>  <Item Name> (744)
Temocapril HCl

>  <Catalog Number> (744)
S2099

>  <Synonyms> (744)
N/A

>  <Target> (744)
RAAS

>  <Form> (744)
Hydrochloride

>  <URL> (744)
http://www.selleckchem.com/products/temocapril-hcl.html

>  <CAS Number> (744)
110221-44-8

$$$$
Gabexate mesylate.cdx
csChFnd80/10101811552D

 28 27  0  0  0  0  0  0  0  0999 V2000
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 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> (745)
1466

>  <Formula> (745)
C17H27N3O7S

>  <MolWeight> (745)
417.47718

>  <Item Name> (745)
Gabexate mesylate

>  <Catalog Number> (745)
S2101

>  <Synonyms> (745)
N/A

>  <Target> (745)
Proteasome

>  <Form> (745)
Mesylate

>  <URL> (745)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (745)
56974-61-9

$$$$
Rasagiline mesylate.cdx
csChFnd80/10101811552D

 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
    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 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1875    3.8595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9832    5.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3456    6.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6291    1.7646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0291    1.7646    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   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> (746)
1467

>  <Formula> (746)
C13H17NO3S

>  <MolWeight> (746)
267.34398

>  <Item Name> (746)
Rasagiline mesylate

>  <Catalog Number> (746)
S2102

>  <Synonyms> (746)
N/A

>  <Target> (746)
MAO

>  <Form> (746)
Mesylate

>  <URL> (746)
http://www.selleckchem.com/products/rasagiline-mesylate.html

>  <CAS Number> (746)
161735-79-1

$$$$
Flunixin meglumine.cdx
csChFnd80/10101811552D

 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
    0.8377    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0377    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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> (747)
1469

>  <Formula> (747)
C21H28F3N3O7

>  <MolWeight> (747)
491.4581296

>  <Item Name> (747)
Flunixin meglumin

>  <Catalog Number> (747)
S2108

>  <Synonyms> (747)
N/A

>  <Target> (747)
COX

>  <Form> (747)
Meglumin

>  <URL> (747)
http://www.selleckchem.com/products/flunixin-meglumin.html

>  <CAS Number> (747)
42461-84-7

$$$$
Vinpocetine.cdx
csChFnd80/10101811552D

 27 31  0  0  0  0  0  0  0  0999 V2000
    1.2044    5.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2044    4.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4169    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4169    6.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    5.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    4.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0558    4.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0558    5.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    3.5025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4807    4.2025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4807    5.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    6.3025    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
    6.0538    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6974    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6974    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  5  4  2  0  0  0  0
  4  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
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 11  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  2  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
 10 25  1  6  0  0  0
 16 26  1  6  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (748)
1470

>  <Formula> (748)
C22H26N2O2

>  <MolWeight> (748)
350.45404

>  <Item Name> (748)
Vinpocetine (Cavinton)

>  <Catalog Number> (748)
S2110

>  <Synonyms> (748)
N/A

>  <Target> (748)
Sodium Channel

>  <Form> (748)
Free Base

>  <URL> (748)
http://www.selleckchem.com/products/vinpocetine-cavinton.html

>  <CAS Number> (748)
42971-09-5

$$$$

csChFnd80/10101811552D

 60 59  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.8979    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    9.6995    8.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617   12.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   13.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   14.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9597    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7473    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1722    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9688    8.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4812    6.5334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3936    7.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6061    7.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8185    7.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0309    7.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0309    9.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8185    9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6061    9.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2434    9.8458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   24.4558    9.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6682    9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8807    9.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2434   11.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0931    9.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.3055    9.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5180    9.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5180   11.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7304   11.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7304   13.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9428   14.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9428   15.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0931   11.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3055   11.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
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  1  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  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
 17 18  1  0  0  0  0
 25 26  1  0  0  0  0
 17 25  1  0  0  0  0
 15 17  1  0  0  0  0
  9 12  1  0  0  0  0
  5  6  1  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
 27 31  2  0  0  0  0
 27 32  1  0  0  0  0
 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 35 36  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
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 40 45  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 46 50  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 51 52  1  0  0  0  0
 59 60  1  0  0  0  0
 51 59  1  0  0  0  0
 49 51  1  0  0  0  0
 43 46  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
>  <Mol_ID> (749)
1473

>  <Formula> (749)
C44H76N4O10S2

>  <MolWeight> (749)
885.22504

>  <Item Name> (749)
Ibutilide fumarate

>  <Catalog Number> (749)
S2118

>  <Synonyms> (749)
N/A

>  <Target> (749)
Sodium Channel

>  <Form> (749)
Fumarate

>  <URL> (749)
http://www.selleckchem.com/products/ibutilide-fumarate.html

>  <CAS Number> (749)
122647-32-9

$$$$
Propafenone.cdx
csChFnd80/10101811552D

 25 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
    3.6331    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
    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 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
    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
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    9.6826    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
    8.4702    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8951    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 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 10  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
 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> (750)
1482

>  <Formula> (750)
C21H27NO3

>  <MolWeight> (750)
341.44398

>  <Item Name> (750)
Propafenone HCl

>  <Catalog Number> (750)
S2500

>  <Synonyms> (750)
Rythmol SR, Rytmonorm

>  <Target> (750)
Sodium Channel

>  <Form> (750)
Hydrochloride

>  <URL> (750)
http://www.selleckchem.com/products/Propafenone(Rytmonorm).html

>  <CAS Number> (750)
34183-22-7

$$$$
Tobramycin.cdx
csChFnd80/10101811552D

 34 36  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  1  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    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    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
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    7.2704    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6953    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3326    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3326    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1202    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580    1.5827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4728    1.8052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    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  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9  5  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  8  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  1  0  0  0
 14 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
  6 21  1  1  0  0  0
  2 22  1  1  0  0  0
 15 23  1  1  0  0  0
 19 24  1  1  0  0  0
 17 25  1  1  0  0  0
  3 26  1  6  0  0  0
  5 27  1  6  0  0  0
  7 28  1  6  0  0  0
 11 29  1  6  0  0  0
 13 30  1  6  0  0  0
 20 31  1  6  0  0  0
 18 32  1  6  0  0  0
 25 33  1  0  0  0  0
 26 34  1  0  0  0  0
M  END
>  <Mol_ID> (751)
1485

>  <Formula> (751)
C18H37N5O9

>  <MolWeight> (751)
467.51448

>  <Item Name> (751)
Tobramycin

>  <Catalog Number> (751)
S2514

>  <Synonyms> (751)
N/A

>  <Target> (751)
Antifection

>  <Form> (751)
Free Base

>  <URL> (751)
http://www.selleckchem.com/products/Tobramycin(free-base).html

>  <CAS Number> (751)
32986-56-4

$$$$
Vancomycin hydrochloride.cdx
csChFnd80/10101811552D

107115  0  0  0  0  0  0  0  0999 V2000
    1.2082   18.0736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082   16.6736    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207   15.9736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   16.6736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331   18.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   18.7736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   18.7712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207   19.9861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   15.9761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   14.5761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289   13.8761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289   12.4761    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413   11.7761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538   12.4761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   13.8761    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207   11.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   14.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   14.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.6809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8790   11.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8790   16.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0914   16.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3039   16.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5163   16.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5163   18.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3039   18.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0914   18.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7245   18.8757    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8832   18.8757    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.9370   18.1757    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9370   16.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1452   16.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7288   16.0781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7288   14.6781    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2997   11.8854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5121   12.5854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1494   11.8806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7330   11.8806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2997   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5079    9.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0914    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8832    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2997    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6750    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8832    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2997    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5121    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7245    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7245    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5121    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9328    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5121    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2997    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2997    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5121    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7245    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7245    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9328    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5121    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0914    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8790    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6708    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4626    3.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6708    5.5854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7207   19.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (752)
1487

>  <Formula> (752)
C66H76Cl3N9O24

>  <MolWeight> (752)
1485.71454

>  <Item Name> (752)
Vancomycin HCl (Vancocin)

>  <Catalog Number> (752)
S2575

>  <Synonyms> (752)
N/A

>  <Target> (752)
Antifection

>  <Form> (752)
HCl

>  <URL> (752)
http://www.selleckchem.com/products/vancomycin-hydrochloride-vancocin.html

>  <CAS Number> (752)
1404-93-9 

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (753)
1490

>  <Formula> (753)
C19H19N3O6

>  <MolWeight> (753)
385.37066

>  <Item Name> (753)
Nilvadipine (ARC029)

>  <Catalog Number> (753)
S2721

>  <Synonyms> (753)
N/A

>  <Target> (753)
Calcium Channel

>  <Form> (753)
Free Base

>  <URL> (753)
http://www.selleckchem.com/products/nilvadipine-arc029.html

>  <CAS Number> (753)
75530-68-6

$$$$
Clevudine.cdx
csChFnd80/10101811552D

 18 19  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> (754)
1492

>  <Formula> (754)
C10H13FN2O5

>  <MolWeight> (754)
260.2190232

>  <Item Name> (754)
Clevudine (Levovir)

>  <Catalog Number> (754)
S3001

>  <Synonyms> (754)
N/A

>  <Target> (754)
Others

>  <Form> (754)
Free Base

>  <URL> (754)
http://www.selleckchem.com/products/clevudine-levovir.html

>  <CAS Number> (754)
163252-36-6

$$$$
Zaltoprofen.cdx
csChFnd80/10101811552D

 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
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M  END
>  <Mol_ID> (755)
1494

>  <Formula> (755)
C17H14O3S

>  <MolWeight> (755)
298.35626

>  <Item Name> (755)
Zaltoprofen

>  <Catalog Number> (755)
S3008

>  <Synonyms> (755)
N/A

>  <Target> (755)
COX

>  <Form> (755)
Free Base

>  <URL> (755)
http://www.selleckchem.com/products/zaltoprofen.html

>  <CAS Number> (755)
74711-43-6

$$$$
aspirin.cdx
csChFnd80/10101811552D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (756)
1497

>  <Formula> (756)
C9H8O4

>  <MolWeight> (756)
180.15742

>  <Item Name> (756)
Aspirin (Acetylsalicylic acid)

>  <Catalog Number> (756)
S3017

>  <Synonyms> (756)
N/A

>  <Target> (756)
COX

>  <Form> (756)
Free Base

>  <URL> (756)
http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

>  <CAS Number> (756)
50-78-2

$$$$
Niflumic acid.cdx
csChFnd80/10101811552D

 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
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    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
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    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
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  2  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 17 20  1  0  0  0  0
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 10 11  1  0  0  0  0
  1 10  1  0  0  0  0
M  END
>  <Mol_ID> (757)
1498

>  <Formula> (757)
C13H9F3N2O2

>  <MolWeight> (757)
282.2179696

>  <Item Name> (757)
Niflumic acid

>  <Catalog Number> (757)
S3018

>  <Synonyms> (757)
N/A

>  <Target> (757)
GABA Receptor

>  <Form> (757)
Free Base

>  <URL> (757)
http://www.selleckchem.com/products/niflumic-acid.html

>  <CAS Number> (757)
4394-00-7

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/10101811552D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4641    2.6922    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.5249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    4.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967    6.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6870    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3870    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3870    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8870    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2870    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8870    0.0000    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  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  4  7  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 12  1  0  0  0  0
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  9 14  2  0  0  0  0
 15 16  1  0  0  0  0
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 15 18  1  0  0  0  0
 11 15  1  0  0  0  0
  5  8  2  0  0  0  0
M  END
>  <Mol_ID> (758)
1499

>  <Formula> (758)
C11H6F3NO2S

>  <MolWeight> (758)
273.2310496

>  <Item Name> (758)
SMI-4a

>  <Catalog Number> (758)
S8005

>  <Synonyms> (758)
N/A

>  <Target> (758)
Pim

>  <Form> (758)
Free Base

>  <URL> (758)
http://www.selleckchem.com/products/smi-4a.html

>  <CAS Number> (758)
438190-29-5

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/10101811552D

 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
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    3.6373    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
   13.3031    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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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  1  2  2  0  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> (759)
1501

>  <Formula> (759)
C25H35N3O6S

>  <MolWeight> (759)
505.6269

>  <Item Name> (759)
Amprenavir (Agenerase)

>  <Catalog Number> (759)
S1639

>  <Synonyms> (759)
Agenerase

>  <Target> (759)
HIV Protease

>  <Form> (759)
Free Base

>  <URL> (759)
http://www.selleckchem.com/products/Amprenavir-(Agenerase).html

>  <CAS Number> (759)
161814-49-9

$$$$
PREZISTA (darunavir ethanolate).cdx
csChFnd80/10101811552D

 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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M  END
>  <Mol_ID> (760)
1502

>  <Formula> (760)
C29H43N3O8S

>  <MolWeight> (760)
593.73202

>  <Item Name> (760)
Darunavir Ethanolate (Prezista)

>  <Catalog Number> (760)
S1620

>  <Synonyms> (760)
Prezista, TMC114

>  <Target> (760)
HIV Protease

>  <Form> (760)
Ethanolate

>  <URL> (760)
http://www.selleckchem.com/products/Darunavir-Ethanolate(Prezista).html

>  <CAS Number> (760)
635728-49-3

$$$$
SULFAPYRIDINE (sulfapyridine).cdx
csChFnd80/10101811552D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (761)
C11H11N3O2S

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>  <Item Name> (761)
Sulfapyridine (Dagenan)

>  <Catalog Number> (761)
S1617

>  <Synonyms> (761)
Coccoclase, Eubasin, Eubasinum, Haptocil

>  <Target> (761)
Antifection

>  <Form> (761)
Free Base

>  <URL> (761)
http://www.selleckchem.com/products/Sulfapyridine(Dagenan).html

>  <CAS Number> (761)
144-83-2

$$$$
RGD peptide.cdx
csChFnd80/10101811552D

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C12H22N6O6

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RGD (Arg-Gly-Asp) Peptides

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Arginine-Glycine-Aspartic Acid

>  <Target> (762)
Integrase

>  <Form> (762)
Free Base

>  <URL> (762)
http://www.selleckchem.com/products/rgd-arg-gly-asp-peptides.html

>  <CAS Number> (762)
99896-85-2

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C22H22F3N3O3

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GSK2636771

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N/A

>  <Target> (763)
PI3K

>  <Form> (763)
Free Base

>  <URL> (763)
http://www.selleckchem.com/products/gsk2636771.html

>  <CAS Number> (763)
1372540-25-4

$$$$
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HDAC

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Free Base

>  <URL> (764)
http://www.selleckchem.com/products/rocilinostat-acy-1215.html

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1316214-52-4

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CETP

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http://www.selleckchem.com/products/evacetrapib-ly2484595.html

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1186486-62-3

$$$$
BAY 11-7082.cdx
csChFnd80/10101811552D

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BAY 11-7082 (BAY 11-7821)

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I¦ÊB/IKK

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Free Base

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http://www.selleckchem.com/products/bay-11-7082-bay-11-7821.html

>  <CAS Number> (766)
19542-67-7

$$$$
Apoptosis Activator II.cdx
csChFnd80/10101811552D

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Apoptosis Activator 2

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N/A

>  <Target> (767)
Caspase

>  <Form> (767)
Free Base

>  <URL> (767)
http://www.selleckchem.com/products/apoptosis-activator-2.html

>  <CAS Number> (767)
79183-19-0

$$$$
GNF-2.cdx
csChFnd80/10101811552D

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1513

>  <Formula> (768)
C18H13F3N4O2

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>  <Item Name> (768)
GNF-2

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S2899

>  <Synonyms> (768)
N/A

>  <Target> (768)
Bcr-Abl

>  <Form> (768)
Free Base

>  <URL> (768)
http://www.selleckchem.com/products/gnf-2.html

>  <CAS Number> (768)
778270-11-4

$$$$
PQ 401.cdx
csChFnd80/10101811552D

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>  <Item Name> (769)
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>  <Synonyms> (769)
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>  <Target> (769)
IGF-1R

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Free Base

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http://www.selleckchem.com/products/pq-401.html

>  <CAS Number> (769)
196868-63-0

$$$$
Tenovin-1.cdx
csChFnd80/10101811552D

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   12.1412    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3579    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3579    5.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    5.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7828    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (770)
1515

>  <Formula> (770)
C20H23N3O2S

>  <MolWeight> (770)
369.48052

>  <Item Name> (770)
Tenovin-1

>  <Catalog Number> (770)
S8000

>  <Synonyms> (770)
N/A

>  <Target> (770)
p53

>  <Form> (770)
Free Base

>  <URL> (770)
http://www.selleckchem.com/products/tenovin-1.html

>  <CAS Number> (770)
380315-80-0

$$$$
Pifithrin-¦Á.cdx
csChFnd80/10101811552D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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  5  1  0  0  0  0
  8 10  2  0  0  0  0
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 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
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 19 13  1  0  0  0  0
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M  END
>  <Mol_ID> (771)
1516

>  <Formula> (771)
C16H19BrN2OS

>  <MolWeight> (771)
367.30386

>  <Item Name> (771)
Pifithrin-¦Á (PFT¦Á) HBr

>  <Catalog Number> (771)
S2929

>  <Synonyms> (771)
N/A

>  <Target> (771)
p53

>  <Form> (771)
HBr

>  <URL> (771)
http://www.selleckchem.com/products/pifithrin-alpha.html

>  <CAS Number> (771)
63208-82-2

$$$$
N6-methyladenosine.cdx
csChFnd80/10101811552D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    0.7190    3.5519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3568    5.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1897    4.3157    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  9  1  0  0  0  0
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M  END
>  <Mol_ID> (772)
1517

>  <Formula> (772)
C11H15N5O4

>  <MolWeight> (772)
281.2679

>  <Item Name> (772)
N6-methyladenosine (m6A)

>  <Catalog Number> (772)
S3190

>  <Synonyms> (772)
NSC-29409

>  <Target> (772)
Others

>  <Form> (772)
Free Base

>  <URL> (772)
http://www.selleckchem.com/products/n6-methyladenosine.html

>  <CAS Number> (772)
1867-73-8

$$$$
CGS-21680 hydrochloride.cdx
csChFnd80/10101811552D

 37 39  0  0  0  0  0  0  0  0999 V2000
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   10.0344   10.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11  9  1  1  0  0  0
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M  END
>  <Mol_ID> (773)
1518

>  <Formula> (773)
C23H30ClN7O6

>  <MolWeight> (773)
535.9806

>  <Item Name> (773)
CGS 21680 HCl

>  <Catalog Number> (773)
S2153

>  <Synonyms> (773)
N/A

>  <Target> (773)
5-alpha Reductase

>  <Form> (773)
Hydrochloride

>  <URL> (773)
http://www.selleckchem.com/products/CGS-21680-hydrochloride.html

>  <CAS Number> (773)
124431-80-7

$$$$
Epiandrosterone.cdx
csChFnd80/10101811552D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 14 10  1  0  0  0  0
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 17 12  1  0  0  0  0
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 17 25  2  0  0  0  0
M  END
>  <Mol_ID> (774)
1519

>  <Formula> (774)
C19H30O2

>  <MolWeight> (774)
290.4403

>  <Item Name> (774)
Epiandrosterone (3¦Â-androsterone)

>  <Catalog Number> (774)
S2832

>  <Synonyms> (774)
N/A

>  <Target> (774)
Estrogen/progestogen Receptor

>  <Form> (774)
Free Base

>  <URL> (774)
http://www.selleckchem.com/products/epiandrosterone-3beta-androsterone.html

>  <CAS Number> (774)
481-29-8

$$$$
Arecoline hydrobromide.cdx
csChFnd80/10101811552D

 12 11  0  0  0  0  0  0  0  0999 V2000
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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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AChR

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HBr

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300-08-3 

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RG-50810

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EGFR

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Free Base

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http://www.selleckchem.com/products/ag-18-tyrphostin-23.html

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118409-57-7

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1529

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C26H23N5O

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421.49372

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OSI-906 (Linsitinib)

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S1091

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N/A

>  <Target> (777)
IGF-1R

>  <Form> (777)
Free Base

>  <URL> (777)
http://www.selleckchem.com/products/OSI-906.html

>  <CAS Number> (777)
867160-71-2

$$$$
aicar.cdx
csChFnd80/10101811552D

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C9H14N4O5

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258.23126

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AICAR (Acadesine)

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S1802

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AICAR, AICA-riboside

>  <Target> (778)
AMPK

>  <Form> (778)
Free Base

>  <URL> (778)
http://www.selleckchem.com/products/Acadesine.html

>  <CAS Number> (778)
2627-69-2

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Raf

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1188910-76-0

$$$$
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Cobicistat (GS-9350)

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>  <Synonyms> (780)
N/A

>  <Target> (780)
P450 (e.g. CYP17)

>  <Form> (780)
Free Base

>  <URL> (780)
http://www.selleckchem.com/products/cobicistat-gs-9350.html

>  <CAS Number> (780)
1004316-88-4

$$$$
GW 9508.cdx
csChFnd80/10101811552D

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1534

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C22H21NO3

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GW9508

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S8014

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N/A

>  <Target> (781)
GPR

>  <Form> (781)
Free Base

>  <URL> (781)
http://www.selleckchem.com/products/gw9508.html

>  <CAS Number> (781)
885101-89-3

$$$$
TAK-438.cdx
csChFnd80/10101811552D

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1535

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>  <Item Name> (782)
Vonoprazan Fumarate (TAK-438)

>  <Catalog Number> (782)
S8016

>  <Synonyms> (782)
N/A

>  <Target> (782)
Potassium Channel

>  <Form> (782)
Fumarate

>  <URL> (782)
http://www.selleckchem.com/products/tak-438.html

>  <CAS Number> (782)
1260141-27-2

$$$$
Pergolide mesylate salt.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (783)
1536

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C20H30N2O3S2

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Pergolide mesylate

>  <Catalog Number> (783)
S4000

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N/A

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Dopamine Receptor

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Mesylate

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http://www.selleckchem.com/products/Pergolide-mesylate.html

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66104-23-2

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ALK

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1197958-12-5

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960203-27-4

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146535-11-7

$$$$
flt-3 inhibitor I(TCS 359).cdx
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FLT3

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Free Base

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http://www.selleckchem.com/products/tcs-359.html

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301305-73-7

$$$$
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csChFnd80/10101811552D

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VEGFR

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1140909-48-3

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csChFnd80/10101811552D

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PF-04708671

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1255517-76-0

$$$$
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csChFnd80/10101811552D

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1553

>  <Formula> (796)
C20H21N3O7S

>  <MolWeight> (796)
447.46164

>  <Item Name> (796)
Ampiroxicam

>  <Catalog Number> (796)
S4011

>  <Synonyms> (796)
N/A

>  <Target> (796)
COX

>  <Form> (796)
Free Base

>  <URL> (796)
http://www.selleckchem.com/products/ampiroxicam.html

>  <CAS Number> (796)
99464-64-9

$$$$
Mirabegron.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (797)
1557

>  <Formula> (797)
C21H24N4O2S

>  <MolWeight> (797)
396.50586

>  <Item Name> (797)
Mirabegron (YM178)

>  <Catalog Number> (797)
S4009

>  <Synonyms> (797)
N/A

>  <Target> (797)
Adrenergic Receptor

>  <Form> (797)
Free Base

>  <URL> (797)
http://www.selleckchem.com/products/mirabegron-ym178.html

>  <CAS Number> (797)
223673-61-8

$$$$
NSC23766.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (798)
1558

>  <Formula> (798)
C24H38Cl3N7

>  <MolWeight> (798)
530.96442

>  <Item Name> (798)
NSC 23766

>  <Catalog Number> (798)
S8031

>  <Synonyms> (798)
N/A

>  <Target> (798)
Rac

>  <Form> (798)
HCl

>  <URL> (798)
http://www.selleckchem.com/products/nsc-23766.html

>  <CAS Number> (798)
1177865-17-6

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/10101811552D

  7  4  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (799)
1561

>  <Formula> (799)
FNa2O3P

>  <MolWeight> (799)
143.9499042

>  <Item Name> (799)
Sodium Monofluorophosphate

>  <Catalog Number> (799)
S4013

>  <Synonyms> (799)
Sodium Fluorophosphate

>  <Target> (799)
Others
phosphatase

>  <Form> (799)
Disodium salt

>  <URL> (799)
http://www.selleckchem.com/products/sodium-monofluorophosphate.html

>  <CAS Number> (799)
10163-15-2

$$$$
Hyoscyamine (L).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (800)
1562

>  <Formula> (800)
C17H23NO3

>  <MolWeight> (800)
289.36942

>  <Item Name> (800)
Hyoscyamine (Daturine)

>  <Catalog Number> (800)
S4014

>  <Synonyms> (800)
N/A

>  <Target> (800)
AChR

>  <Form> (800)
Free Base

>  <URL> (800)
http://www.selleckchem.com/products/hyoscyamine-daturine.html

>  <CAS Number> (800)
101-31-5

$$$$
IPI-145.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (801)
1563

>  <Formula> (801)
C22H17ClN6O

>  <MolWeight> (801)
416.86298

>  <Item Name> (801)
Duvelisib (IPI-145, INK1197)

>  <Catalog Number> (801)
S7028

>  <Synonyms> (801)
N/A

>  <Target> (801)
PI3K

>  <Form> (801)
Free Base

>  <URL> (801)
http://www.selleckchem.com/products/ipi-145-ink1197.html

>  <CAS Number> (801)
1201438-56-3

$$$$
UPF-1069.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (802)
1564

>  <Formula> (802)
C17H13NO3

>  <MolWeight> (802)
279.29002

>  <Item Name> (802)
UPF 1069

>  <Catalog Number> (802)
S8038 

>  <Synonyms> (802)
N/A

>  <Target> (802)
PARP

>  <Form> (802)
Free Base

>  <URL> (802)
http://www.selleckchem.com/products/upf-1069.html

>  <CAS Number> (802)
1048371-03-4

$$$$
Necrostatin-1.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (803)
1566

>  <Formula> (803)
C13H13N3OS

>  <MolWeight> (803)
259.32682

>  <Item Name> (803)
Necrostatin-1

>  <Catalog Number> (803)
S8037 

>  <Synonyms> (803)
N/A

>  <Target> (803)
TNF-alpha

>  <Form> (803)
Free Base

>  <URL> (803)
http://www.selleckchem.com/products/necrostatin-1.html

>  <CAS Number> (803)
4311-88-0

$$$$
Avanafil.cdx
csChFnd80/10101811552D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (804)
1568

>  <Formula> (804)
C23H26ClN7O3

>  <MolWeight> (804)
483.95064

>  <Item Name> (804)
Avanafil

>  <Catalog Number> (804)
S4019

>  <Synonyms> (804)
N/A

>  <Target> (804)
PDE

>  <Form> (804)
Free Base

>  <URL> (804)
http://www.selleckchem.com/products/avanafil.html

>  <CAS Number> (804)
330784-47-9

$$$$
N-Methyl-D-aspartic acid£¨NMDA£©.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (805)
1569

>  <Formula> (805)
C5H9NO4

>  <MolWeight> (805)
147.12926

>  <Item Name> (805)
NMDA (N-Methyl-D-aspartic acid)

>  <Catalog Number> (805)
S7072

>  <Synonyms> (805)
N/A

>  <Target> (805)
GluR

>  <Form> (805)
Free Base

>  <URL> (805)
http://www.selleckchem.com/products/nmda-n-methyl-d-aspartic-acid.html

>  <CAS Number> (805)
6384-92-5

$$$$
procaine hydrochloride.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (806)
1571

>  <Formula> (806)
C13H21ClN2O2

>  <MolWeight> (806)
272.77104

>  <Item Name> (806)
Procaine (Novocaine) HCl

>  <Catalog Number> (806)
S4023

>  <Synonyms> (806)
N/A

>  <Target> (806)
Sodium Channel

>  <Form> (806)
HCl

>  <URL> (806)
http://www.selleckchem.com/products/procaine-novocaine-hcl.html

>  <CAS Number> (806)
51-05-8

$$$$
sennoside A.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (807)
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>  <Formula> (807)
C42H38O20

>  <MolWeight> (807)
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>  <Item Name> (807)
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>  <Catalog Number> (807)
S4033

>  <Synonyms> (807)
N/A

>  <Target> (807)
Others

>  <Form> (807)
Free Base

>  <URL> (807)
http://www.selleckchem.com/products/sennoside-a.html

>  <CAS Number> (807)
81-27-6

$$$$
sennoside B.cdx
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>  <Mol_ID> (808)
1573

>  <Formula> (808)
C42H38O20

>  <MolWeight> (808)
862.73912

>  <Item Name> (808)
Sennoside B

>  <Catalog Number> (808)
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>  <Synonyms> (808)
N/A

>  <Target> (808)
Others

>  <Form> (808)
Free Base

>  <URL> (808)
http://www.selleckchem.com/products/sennoside-b.html

>  <CAS Number> (808)
128-57-4

$$$$
Tolcapone.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (809)
1575

>  <Formula> (809)
C14H11NO5

>  <MolWeight> (809)
273.24084

>  <Item Name> (809)
Tolcapone

>  <Catalog Number> (809)
S4021

>  <Synonyms> (809)
N/A

>  <Target> (809)
Transferase

>  <Form> (809)
Free Base

>  <URL> (809)
http://www.selleckchem.com/products/tolcapone.html

>  <CAS Number> (809)
134308-13-7

$$$$
JNK-IN-8.cdx
csChFnd80/10101811552D

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1410880-22-6

$$$$
methazolamide.cdx
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Carbonic Anhydrase

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Free Base

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554-57-4

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N/A

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http://www.selleckchem.com/products/qnz-evp4593.html

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545380-34-5

$$$$
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csChFnd80/10101811552D

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I¦ÊB/IKK

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354812-17-2

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SN-38.cdx
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86639-52-3

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   11.2000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (815)
1583

>  <Formula> (815)
C15H16O2

>  <MolWeight> (815)
228.28634

>  <Item Name> (815)
Nabumetone

>  <Catalog Number> (815)
S4051

>  <Synonyms> (815)
Arthaxan, Relafen

>  <Target> (815)
COX

>  <Form> (815)
Free Base

>  <URL> (815)
http://www.selleckchem.com/products/nabumetone.html

>  <CAS Number> (815)
42924-53-8

$$$$
netilmicin sulfate.cdx
csChFnd80/10101811552D

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   11.2443   18.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (816)
1584

>  <Formula> (816)
C42H92N10O34S5

>  <MolWeight> (816)
1441.55148

>  <Item Name> (816)
Netilmicin Sulfate

>  <Catalog Number> (816)
S4052

>  <Synonyms> (816)
N/A

>  <Target> (816)
Antifection

>  <Form> (816)
Sulfate

>  <URL> (816)
http://www.selleckchem.com/products/netilmicin-sulfate.html

>  <CAS Number> (816)
7664-93-9

$$$$
ABT-199.cdx
csChFnd80/10101811552D

 61 68  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (817)
1586

>  <Formula> (817)
C45H50ClN7O7S

>  <MolWeight> (817)
868.4392

>  <Item Name> (817)
Venetoclax (ABT-199, GDC-0199)

>  <Catalog Number> (817)
S8048

>  <Synonyms> (817)
N/A

>  <Target> (817)
Bcl-2

>  <Form> (817)
Free Base

>  <URL> (817)
http://www.selleckchem.com/products/abt-199.html

>  <CAS Number> (817)
1257044-40-8

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (818)
1589

>  <Formula> (818)
C26H21N3O3

>  <MolWeight> (818)
423.46324

>  <Item Name> (818)
IWR-1-endo

>  <Catalog Number> (818)
S7086

>  <Synonyms> (818)
IWR-1

>  <Target> (818)
Wnt/beta-catenin

>  <Form> (818)
Free Base

>  <URL> (818)
http://www.selleckchem.com/products/iwr-1-endo.html

>  <CAS Number> (818)
1127442-82-3

$$$$
EPZ-5676.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (819)
1590

>  <Formula> (819)
C30H42N8O3

>  <MolWeight> (819)
562.70628

>  <Item Name> (819)
Pinometostat (EPZ5676)

>  <Catalog Number> (819)
S7062

>  <Synonyms> (819)
N/A

>  <Target> (819)
Histone Methyltransferase

>  <Form> (819)
Free Base

>  <URL> (819)
http://www.selleckchem.com/products/epz-5676.html

>  <CAS Number> (819)
1380288-87-8

$$$$
Oprozomib (ONX 0912).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (820)
1593

>  <Formula> (820)
C25H32N4O7S

>  <MolWeight> (820)
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>  <Item Name> (820)
Oprozomib (ONX 0912)

>  <Catalog Number> (820)
S7049

>  <Synonyms> (820)
N/A

>  <Target> (820)
Proteasome

>  <Form> (820)
Free Base

>  <URL> (820)
http://www.selleckchem.com/products/oprozomib-onx-0912.html

>  <CAS Number> (820)
935888-69-0

$$$$
VX661.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (821)
1594

>  <Formula> (821)
C26H27F3N2O6

>  <MolWeight> (821)
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>  <Item Name> (821)
VX-661

>  <Catalog Number> (821)
S7059

>  <Synonyms> (821)
N/A

>  <Target> (821)
CFTR

>  <Form> (821)
Free Base

>  <URL> (821)
http://www.selleckchem.com/products/vx-661.html

>  <CAS Number> (821)
1152311-62-0

$$$$
Empagliflozin (BI10773).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (822)
1600

>  <Formula> (822)
C23H27ClO7

>  <MolWeight> (822)
450.90928

>  <Item Name> (822)
Empagliflozin (BI10773)

>  <Catalog Number> (822)
S8022

>  <Synonyms> (822)
N/A

>  <Target> (822)
SGLT

>  <Form> (822)
Free Base

>  <URL> (822)
http://www.selleckchem.com/products/empagliflozin-bi10773.html

>  <CAS Number> (822)
864070-44-0

$$$$
Tetrahydrozoline hydrochloride.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (823)
1604

>  <Formula> (823)
C13H17ClN2

>  <MolWeight> (823)
236.74048

>  <Item Name> (823)
Tetrahydrozoline HCl

>  <Catalog Number> (823)
S4043

>  <Synonyms> (823)
N/A

>  <Target> (823)
Adrenergic Receptor

>  <Form> (823)
hydrochloride

>  <URL> (823)
http://www.selleckchem.com/products/tetrahydrozoline-hcl.html

>  <CAS Number> (823)
522-48-5

$$$$
Dibucaine HCL.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (824)
1606

>  <Formula> (824)
C20H30ClN3O2

>  <MolWeight> (824)
379.9241

>  <Item Name> (824)
Dibucaine (Cinchocaine) HCl

>  <Catalog Number> (824)
S4038

>  <Synonyms> (824)
N/A

>  <Target> (824)
Sodium Channel

>  <Form> (824)
hydrochloride

>  <URL> (824)
http://www.selleckchem.com/products/dibucaine-cinchocaine-hcl.html

>  <CAS Number> (824)
61-12-1

$$$$
Diphemanil methylsulfate.cdx
csChFnd80/10101811552D

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M  CFW   0 B_NG_STER 2
M  END
>  <Mol_ID> (825)
1607

>  <Formula> (825)
C21H27NO4S

>  <MolWeight> (825)
389.50838

>  <Item Name> (825)
Diphemanil Methylsulfate

>  <Catalog Number> (825)
S4034

>  <Synonyms> (825)
N/A

>  <Target> (825)
AChR

>  <Form> (825)
Methylsulfate

>  <URL> (825)
http://www.selleckchem.com/products/diphemanil-methylsulfate.html

>  <CAS Number> (825)
62-97-5

$$$$
(+)-JQ1.cdx
csChFnd80/10101811552D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.9352    9.3659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 10 24  1  6  0  0  0
M  END
>  <Mol_ID> (826)
1610

>  <Formula> (826)
C23H25ClN4O2S

>  <MolWeight> (826)
456.9882

>  <Item Name> (826)
(+)-JQ1

>  <Catalog Number> (826)
S7110

>  <Synonyms> (826)
N/A

>  <Target> (826)
BET

>  <Form> (826)
Free Base

>  <URL> (826)
http://www.selleckchem.com/products/jq1.html

>  <CAS Number> (826)
1268524-70-4

$$$$
Desvenlafaxine succinate.cdx
csChFnd80/10101811552D

 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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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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 10 14  2  0  0  0  0
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M  END
>  <Mol_ID> (827)
1613

>  <Formula> (827)
C20H31NO6

>  <MolWeight> (827)
381.46324

>  <Item Name> (827)
Desvenlafaxine Succinate

>  <Catalog Number> (827)
S4112

>  <Synonyms> (827)
N/A

>  <Target> (827)
5-HT Receptor

>  <Form> (827)
Succinate

>  <URL> (827)
http://www.selleckchem.com/products/desvenlafaxine-succinate.html

>  <CAS Number> (827)
386750-22-7

$$$$
Dicloxacillin sodium.cdx
csChFnd80/10101811552D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4364    5.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    5.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2670    5.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  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
  6  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 16  1  1  0  0  0
 18 19  1  0  0  0  0
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 21 24  1  1  0  0  0
 19 25  2  0  0  0  0
 23 26  1  0  0  0  0
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 22 28  1  6  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (828)
1614

>  <Formula> (828)
C19H18Cl2N3NaO6S

>  <MolWeight> (828)
510.32349

>  <Item Name> (828)
Dicloxacillin Sodium

>  <Catalog Number> (828)
S4111

>  <Synonyms> (828)
Diclocil

>  <Target> (828)
Antifection

>  <Form> (828)
Sodium Salt

>  <URL> (828)
http://www.selleckchem.com/products/dicloxacillin-sodium.html

>  <CAS Number> (828)
13412-64-1

$$$$
Estradiol benzoate.cdx
csChFnd80/10101811552D

 31 35  0  0  0  0  0  0  0  0999 V2000
    6.0513    4.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   10.9035    6.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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N/A

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Estrogen/progestogen Receptor

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Free Base

>  <URL> (829)
http://www.selleckchem.com/products/estradiol-benzoate.html

>  <CAS Number> (829)
50-50-0

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>  <Item Name> (830)
GSK J4 HCl

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S7070

>  <Synonyms> (830)
N/A

>  <Target> (830)
Histone Demethylase

>  <Form> (830)
Hydrochloride

>  <URL> (830)
http://www.selleckchem.com/products/gsk-j4-hcl.html

>  <CAS Number> (830)
1373423-53-0(free base)

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C8H5NO4S

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N/A

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STAT

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Free Base

>  <URL> (831)
http://www.selleckchem.com/products/stattic.html

>  <CAS Number> (831)
19983-44-9

$$$$
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P-gp

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Free Base

>  <URL> (832)
http://www.selleckchem.com/products/tariquidar.html

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206873-63-4

$$$$
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    9.6889    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2057    5.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8945    1.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1003    2.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8945    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  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 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 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
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 15 17  2  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (833)
1620

>  <Formula> (833)
C14H14ClN3O2S

>  <MolWeight> (833)
323.79786

>  <Item Name> (833)
WY 14643 (Pirinixic Acid)

>  <Catalog Number> (833)
S8029

>  <Synonyms> (833)
N/A

>  <Target> (833)
PPAR

>  <Form> (833)
Free Base

>  <URL> (833)
http://www.selleckchem.com/products/wy-14643-pirinixic-acid.html

>  <CAS Number> (833)
50892-23-4

$$$$
Aminosalicylate sodium.cdx
csChFnd80/10101811552D

 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> (834)
1622

>  <Formula> (834)
C7H6NNaO3

>  <MolWeight> (834)
175.11721

>  <Item Name> (834)
Sodium 4-Aminosalicylate

>  <Catalog Number> (834)
S4073

>  <Synonyms> (834)
N/A

>  <Target> (834)
NF-¦ÊB

>  <Form> (834)
Sodium Salt

>  <URL> (834)
http://www.selleckchem.com/products/aminosalicylate-sodium.html

>  <CAS Number> (834)
133-10-8

$$$$

csChFnd80/10101811552D

 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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    2.9142    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    5.4812    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4445    5.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7355    6.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951    7.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636    6.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0726    5.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1130    4.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    7.9305    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4994    0.0000 N   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
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  2  0  0  0  0
 10 22  1  0  0  0  0
M  END
>  <Mol_ID> (835)
1623

>  <Formula> (835)
C16H14N2O3S

>  <MolWeight> (835)
314.35896

>  <Item Name> (835)
Valdecoxib

>  <Catalog Number> (835)
S4049

>  <Synonyms> (835)
SC-65872, YM-974

>  <Target> (835)
COX

>  <Form> (835)
Free Base

>  <URL> (835)
http://www.selleckchem.com/products/valdecoxib.html

>  <CAS Number> (835)
181695-72-7

$$$$
Decamethonium bromide.cdx
csChFnd80/10101811552D

 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> (836)
1626

>  <Formula> (836)
C16H38Br2N2

>  <MolWeight> (836)
418.29432

>  <Item Name> (836)
Decamethonium Bromide

>  <Catalog Number> (836)
S4072

>  <Synonyms> (836)
Syncurine

>  <Target> (836)
AChR

>  <Form> (836)
Bromide

>  <URL> (836)
http://www.selleckchem.com/products/decamethonium-bromide.html

>  <CAS Number> (836)
541-22-0

$$$$
Estradiol cypionate.cdx
csChFnd80/10101811552D

 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> (837)
1627

>  <Formula> (837)
C26H36O3

>  <MolWeight> (837)
396.56224

>  <Item Name> (837)
Estradiol Cypionate

>  <Catalog Number> (837)
S4046

>  <Synonyms> (837)
N/A

>  <Target> (837)
Estrogen/progestogen Receptor

>  <Form> (837)
Free Base

>  <URL> (837)
http://www.selleckchem.com/products/estradiol-cypionate.html

>  <CAS Number> (837)
313-06-4

$$$$
Mefenamic acid.cdx
csChFnd80/10101811552D

 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
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 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> (838)
1631

>  <Formula> (838)
C15H15NO2

>  <MolWeight> (838)
241.2851

>  <Item Name> (838)
Mefenamic Acid

>  <Catalog Number> (838)
S4078

>  <Synonyms> (838)
N/A

>  <Target> (838)
COX

>  <Form> (838)
Free Base

>  <URL> (838)
http://www.selleckchem.com/products/mefenamic-acid.html

>  <CAS Number> (838)
61-68-7

$$$$
Pirarubicin.cdx
csChFnd80/10101811552D

 47 52  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3284    8.3903    0.0000 C   0  0  0  0  0  0  0  0  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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 17 40  1  6  0  0  0
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 45 46  1  0  0  0  0
 11 47  1  1  0  0  0
M  END
>  <Mol_ID> (839)
1635

>  <Formula> (839)
C32H37NO12

>  <MolWeight> (839)
627.63568

>  <Item Name> (839)
Pirarubicin

>  <Catalog Number> (839)
S1393

>  <Synonyms> (839)
N/A

>  <Target> (839)
Topoisomerase

>  <Form> (839)
Free Base

>  <URL> (839)
http://www.selleckchem.com/products/Pirarubicin.html

>  <CAS Number> (839)
72496-41-4

$$$$
Escitalopram oxalate.cdx
csChFnd80/10101811552D

 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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    6.7229    7.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4439    7.1949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    5.8026    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4445    4.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1548    5.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7350   11.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9432   11.8737    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  1  1  0  0  0  0
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 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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 18 19  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
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M  END
>  <Mol_ID> (840)
1638

>  <Formula> (840)
C22H23FN2O5

>  <MolWeight> (840)
414.4268232

>  <Item Name> (840)
Escitalopram Oxalate

>  <Catalog Number> (840)
S4064

>  <Synonyms> (840)
S-(+)-Citalopram Oxalate

>  <Target> (840)
5-HT Receptor

>  <Form> (840)
Oxalate

>  <URL> (840)
http://www.selleckchem.com/products/escitalopram-oxalate.html

>  <CAS Number> (840)
219861-08-2

$$$$
Guanabenz acetate.cdx
csChFnd80/10101811552D

 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
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    6.6458    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (841)
1639

>  <Formula> (841)
C10H12Cl2N4O2

>  <MolWeight> (841)
291.13388

>  <Item Name> (841)
Guanabenz (WY-8678) Acetate

>  <Catalog Number> (841)
S4065

>  <Synonyms> (841)
N/A

>  <Target> (841)
Adrenergic Receptor

>  <Form> (841)
Acetate

>  <URL> (841)
http://www.selleckchem.com/products/guanabenz-wy-8678-acetate.html

>  <CAS Number> (841)
23256-50-0

$$$$
GW2580.cdx
csChFnd80/10101811552D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (842)
1640

>  <Formula> (842)
C20H22N4O3

>  <MolWeight> (842)
366.41368

>  <Item Name> (842)
GW2580

>  <Catalog Number> (842)
S8042

>  <Synonyms> (842)
N/A

>  <Target> (842)
CSF-1R

>  <Form> (842)
Free Base

>  <URL> (842)
http://www.selleckchem.com/products/gw2580.html

>  <CAS Number> (842)
870483-87-7

$$$$
DYRENIUM (triamterene).cdx
csChFnd80/10101811552D

 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
    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
    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
    7.2662    0.0024    0.0000 N   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
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
  1 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (843)
1644

>  <Formula> (843)
C12H11N7

>  <MolWeight> (843)
253.26264

>  <Item Name> (843)
Triamterene

>  <Catalog Number> (843)
S4080

>  <Synonyms> (843)
N/A

>  <Target> (843)
Sodium Channel

>  <Form> (843)
Free Base

>  <URL> (843)
http://www.selleckchem.com/products/triamterene.html

>  <CAS Number> (843)
396-01-0

$$$$
Aclidinium bromide.cdx
csChFnd80/10101811552D

 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
    3.0783    8.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4025    8.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3907    8.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7333    6.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2198    4.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1412    9.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  3 10  1  0  0  0  0
 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> (844)
1650

>  <Formula> (844)
C26H30BrNO4S2

>  <MolWeight> (844)
564.5547

>  <Item Name> (844)
Aclidinium Bromide

>  <Catalog Number> (844)
S4031

>  <Synonyms> (844)
N/A

>  <Target> (844)
AChR

>  <Form> (844)
quaternary-N bromide salt

>  <URL> (844)
http://www.selleckchem.com/products/aclidinium-bromide.html

>  <CAS Number> (844)
320345-99-1

$$$$
Butein.cdx
csChFnd80/10101811552D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6599    3.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    4.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    3.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    5.6013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0837    3.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    5.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4364    1.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    2.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2956    4.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5073    3.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5073    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7197    4.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7255    1.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9342    3.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9365    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7255    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1452    1.4024    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
  7 11  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (845)
1651

>  <Formula> (845)
C15H12O5

>  <MolWeight> (845)
272.25278

>  <Item Name> (845)
Butein

>  <Catalog Number> (845)
S8036

>  <Synonyms> (845)
N/A

>  <Target> (845)
EGFR

>  <Form> (845)
Free Base

>  <URL> (845)
https://www.selleckchem.com/products/butein.html

>  <CAS Number> (845)
487-52-5

$$$$
Levodropropizine.cdx
csChFnd80/10101811552D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 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
    7.2662    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4744    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  5  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
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 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> (846)
1654

>  <Formula> (846)
C13H20N2O2

>  <MolWeight> (846)
236.3101

>  <Item Name> (846)
Levodropropizine

>  <Catalog Number> (846)
S4131

>  <Synonyms> (846)
N/A

>  <Target> (846)
Histamine Receptor

>  <Form> (846)
Free Base

>  <URL> (846)
https://www.selleckchem.com/products/levodropropizine.html

>  <CAS Number> (846)
99291-25-5

$$$$
Mildronate.cdx
csChFnd80/10101811552D

 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> (847)
1655

>  <Formula> (847)
C6H15N2O2+

>  <MolWeight> (847)
147.1955

>  <Item Name> (847)
Mildronate

>  <Catalog Number> (847)
S4130

>  <Synonyms> (847)
N/A

>  <Target> (847)
Hydroxylase

>  <Form> (847)
Free Base

>  <URL> (847)
https://www.selleckchem.com/products/mildronate.html

>  <CAS Number> (847)
76144-81-5

$$$$
Pefloxacin mesylate dihydrate.cdx
csChFnd80/10101811552D

 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
    8.4634    6.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    6.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6725    5.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6271    3.3661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    6.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271    6.1945    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271    1.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4073    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1071    5.4941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    7.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4073    1.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927    3.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927    1.9600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5464    1.3734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.9248    1.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1676    1.3734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5464    2.7520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5464    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6999    9.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2999    9.6812    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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 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> (848)
1656

>  <Formula> (848)
C18H28FN3O8S

>  <MolWeight> (848)
465.4936232

>  <Item Name> (848)
Pefloxacin Mesylate Dihydrate

>  <Catalog Number> (848)
S4119

>  <Synonyms> (848)
N/A

>  <Target> (848)
Topoisomerase

>  <Form> (848)
Mesylate

>  <URL> (848)
https://www.selleckchem.com/products/pefloxacin-mesylate-dihydrate.html

>  <CAS Number> (848)
149676-40-4

$$$$
sodium phenylbutyrate.cdx
csChFnd80/10101811552D

 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
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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> (849)
1659

>  <Formula> (849)
C10H11NaO2

>  <MolWeight> (849)
186.18291

>  <Item Name> (849)
Sodium Phenylbutyrate

>  <Catalog Number> (849)
S4125

>  <Synonyms> (849)
N/A

>  <Target> (849)
HDAC

>  <Form> (849)
Sodium Salt

>  <URL> (849)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

>  <CAS Number> (849)
1716-12-7

$$$$
Succinylcholine Chloride Dihydrate.cdx
csChFnd80/10101811552D

 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
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.2492    0.8876    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
   13.8492    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448    5.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7350    5.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (850)
1660

>  <Formula> (850)
C14H34Cl2N2O6

>  <MolWeight> (850)
397.33556

>  <Item Name> (850)
Succinylcholine Chloride Dihydrate

>  <Catalog Number> (850)
S4121

>  <Synonyms> (850)
Suxamethonium Chloride Dihydrate

>  <Target> (850)
AChR

>  <Form> (850)
Chloride

>  <URL> (850)
https://www.selleckchem.com/products/succinylcholine-suxamethonium-chloride-dihydrate.html

>  <CAS Number> (850)
6101-15-1

$$$$
Terbutaline sulfate.cdx
csChFnd80/10101811552D

 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
    8.9399    9.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.0901   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3901   11.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8777    9.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7901    9.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9399    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7274    4.2073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1566    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9399    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5150    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7274    5.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3733    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1566    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3026    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3733    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5857    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1566    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0901    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3901    4.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8777    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7901    2.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    7.3065    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9799    6.3165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9799    8.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2964    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  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
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 10  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 26  2  0  0  0  0
 25 29  1  0  0  0  0
 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> (851)
1662

>  <Formula> (851)
C24H40N2O10S

>  <MolWeight> (851)
548.6468

>  <Item Name> (851)
Terbutaline Sulfate

>  <Catalog Number> (851)
S4127

>  <Synonyms> (851)
N/A

>  <Target> (851)
Adrenergic Receptor

>  <Form> (851)
Sulfate

>  <URL> (851)
https://www.selleckchem.com/products/terbutaline-sulfate.html

>  <CAS Number> (851)
23031-32-5 

$$$$
Zebularine.cdx
csChFnd80/10101811552D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.3523    2.1729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    2.1729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5647    2.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3085    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    3.5729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3085    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    5.6729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    6.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    5.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    3.5753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  1  0  0  0
  1  4  1  1  0  0  0
  2  5  1  1  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
 11 16  2  0  0  0  0
M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (852)
1669

>  <Formula> (852)
C9H12N2O5

>  <MolWeight> (852)
228.20198

>  <Item Name> (852)
Zebularine

>  <Catalog Number> (852)
S7113

>  <Synonyms> (852)
N/A

>  <Target> (852)
DNA Methyltransferase

>  <Form> (852)
Free Base

>  <URL> (852)
https://www.selleckchem.com/products/zebularine.html

>  <CAS Number> (852)
3690-10-6

$$$$
(-)-Blebbistatin.cdx
csChFnd80/10101811552D

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.8947    2.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2788    2.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7764    1.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8802    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4877    0.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0015    1.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2231    5.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209    4.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4368    3.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    4.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6454    5.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4365    6.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    6.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0673    5.7596    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8534    3.6609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0731    4.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3976    6.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4007    3.9312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2158    5.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727    7.1524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8566    7.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  1 18  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
 12  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 15  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
 13 14  1  0  0  0  0
 13 21  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 20  1  1  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (853)
1671

>  <Formula> (853)
C18H16N2O2

>  <MolWeight> (853)
292.33184

>  <Item Name> (853)
(-)-Blebbistatin

>  <Catalog Number> (853)
S7099

>  <Synonyms> (853)
N/A

>  <Target> (853)
ATPase

>  <Form> (853)
Free Base

>  <URL> (853)
https://www.selleckchem.com/products/blebbistatin.html

>  <CAS Number> (853)
856925-71-8

$$$$
GDC-0349.cdx
csChFnd80/10101811552D

 33 37  0  0  0  0  0  0  0  0999 V2000
   11.4141   11.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6266   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8391   11.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6266    9.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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142880-36-2

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Histone Methyltransferase

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1338466-77-5

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CDK

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    6.4104    0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8679    4.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5889    5.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  1  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
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (876)
1705

>  <Formula> (876)
C18H21FN2O

>  <MolWeight> (876)
300.3705432

>  <Item Name> (876)
IU1

>  <Catalog Number> (876)
S7134

>  <Synonyms> (876)
N/A

>  <Target> (876)
Proteasome

>  <Form> (876)
Free Base

>  <URL> (876)
http://www.selleckchem.com/products/iu1.html

>  <CAS Number> (876)
314245-33-5

$$$$
SANT-1.cdx
csChFnd80/10101811552D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.2364    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2364    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4489    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6613    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6613    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4489    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4489    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5815    5.0180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1489    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7489    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9618   15.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694   15.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
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  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 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
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (877)
1706

>  <Formula> (877)
C23H27N5

>  <MolWeight> (877)
373.49398

>  <Item Name> (877)
SANT-1

>  <Catalog Number> (877)
S7092

>  <Synonyms> (877)
N/A

>  <Target> (877)
Smoothened

>  <Form> (877)
Free Base

>  <URL> (877)
http://www.selleckchem.com/products/sant-1.html

>  <CAS Number> (877)
304909-07-7

$$$$
Ceftriaxone sodium trihydrate.cdx
csChFnd80/10101811552D

 39 39  0  0  0  0  0  0  0  0999 V2000
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   10.7983    3.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1860    3.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4860    4.2832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3983    6.1957    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4983    4.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4983    2.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8235    1.7185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7983    6.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8983    4.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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A   39
3.5H2O
M  END
>  <Mol_ID> (878)
1712

>  <Formula> (878)
C18H16N8Na2O7RS3

>  <MolWeight> (878)
598.54358

>  <Item Name> (878)
Ceftriaxone Sodium Trihydrate

>  <Catalog Number> (878)
S4158

>  <Synonyms> (878)
N/A

>  <Target> (878)
Antifection

>  <Form> (878)
Free Base

>  <URL> (878)
http://www.selleckchem.com/products/ceftriaxone-sodium-trihydrate.html

>  <CAS Number> (878)
104376-79-6

$$$$
Chloroquine phosphate.cdx
csChFnd80/10101811552D

 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
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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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  2  6  1  0  0  0  0
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M  END
>  <Mol_ID> (879)
1714

>  <Formula> (879)
C18H32ClN3O8P2

>  <MolWeight> (879)
515.862502

>  <Item Name> (879)
Chloroquine Phosphate

>  <Catalog Number> (879)
S4157

>  <Synonyms> (879)
N/A

>  <Target> (879)
Others

>  <Form> (879)
Diphosphate

>  <URL> (879)
http://www.selleckchem.com/products/chloroquine-phosphate.html

>  <CAS Number> (879)
50-63-5

$$$$
Chlortetracycline HCl.cdx
csChFnd80/10101811552D

 35 37  0  0  0  0  0  0  0  0999 V2000
    7.2888    5.8848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2898    8.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 20  1  0  0  0  0
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 21 28  1  0  0  0  0
 21 24  2  0  0  0  0
 24 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (880)
1717

>  <Formula> (880)
C22H24Cl2N2O8

>  <MolWeight> (880)
515.34056

>  <Item Name> (880)
Chlortetracycline HCl

>  <Catalog Number> (880)
S4156

>  <Synonyms> (880)
N/A

>  <Target> (880)
Antifection

>  <Form> (880)
Hydrochloride

>  <URL> (880)
http://www.selleckchem.com/products/chlortetracycline-hcl.html

>  <CAS Number> (880)
64-72-2

$$$$
Eprazinone 2HCl.cdx
csChFnd80/10101811552D

 30 30  0  0  0  0  0  0  0  0999 V2000
   12.8251    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.8251    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6126    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8251    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4002    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251   11.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0375   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2499   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2499   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4624   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6748   12.6000    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> (881)
1733

>  <Formula> (881)
C24H34Cl2N2O2

>  <MolWeight> (881)
453.44496

>  <Item Name> (881)
Eprazinone 2HCl

>  <Catalog Number> (881)
S4137

>  <Synonyms> (881)
N/A

>  <Target> (881)
Free Base

>  <Form> (881)
HCl

>  <URL> (881)
http://www.selleckchem.com/products/eprazinone-2hcl.html

>  <CAS Number> (881)
10402-53-6

$$$$
Sodium gluconate.cdx
csChFnd80/10101811552D

 14 12  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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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  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  5 10  1  1  0  0  0
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M  END
>  <Mol_ID> (882)
1744

>  <Formula> (882)
C6H11NaO7

>  <MolWeight> (882)
218.13711

>  <Item Name> (882)
Sodium Gluconate

>  <Catalog Number> (882)
S4174

>  <Synonyms> (882)
N/A

>  <Target> (882)
Others

>  <Form> (882)
Sodium salt

>  <URL> (882)
http://www.selleckchem.com/products/sodium-gluconate.html

>  <CAS Number> (882)
527-07-1

$$$$
CNX-2006.cdx
csChFnd80/10101811552D

 39 42  0  0  0  0  0  0  0  0999 V2000
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    4.8497    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 24  1  0  0  0  0
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 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
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 35 36  1  0  0  0  0
 36 33  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (883)
1753

>  <Formula> (883)
C26H27F4N7O2

>  <MolWeight> (883)
545.5318928

>  <Item Name> (883)
CNX-2006

>  <Catalog Number> (883)
S7206

>  <Synonyms> (883)
N/A

>  <Target> (883)
EGFR

>  <Form> (883)
Free Base

>  <URL> (883)
http://www.selleckchem.com/products/cnx-2006.html

>  <CAS Number> (883)
1375465-09-0

$$$$
GZD824.cdx
csChFnd80/10101811552D

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Proteasome

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Free Base

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668467-91-2

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ROCK

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1342278-01-6

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>  <Mol_ID> (893)
1764

>  <Formula> (893)
C16H19N3O4S

>  <MolWeight> (893)
349.40476

>  <Item Name> (893)
Resminostat (RAS2410)

>  <Catalog Number> (893)
S2693

>  <Synonyms> (893)
4SC-201, BYK408740

>  <Target> (893)
HDAC

>  <Form> (893)
Free Base

>  <URL> (893)
http://www.selleckchem.com/products/resminostat-ras2410.html

>  <CAS Number> (893)
864814-88-0

$$$$
>  <Mol_ID> (894)
1771

>  <Item Name> (894)
Capreomycin Sulfate

>  <Catalog Number> (894)
S4234

>  <Synonyms> (894)
N/A

>  <Target> (894)
Antifection

>  <Form> (894)
Sulfate

>  <URL> (894)
http://www.selleckchem.com/products/capreomycin-sulfate.html

>  <CAS Number> (894)
1405-37-4

$$$$
D-Phenylalanine.cdx
csChFnd80/10101811552D

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1777

>  <Formula> (895)
C9H11NO2

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>  <Item Name> (895)
D-Phenylalanine

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S4153

>  <Synonyms> (895)
N/A

>  <Target> (895)
Others

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Free Base

>  <URL> (895)
http://www.selleckchem.com/products/d-phenylalanine.html

>  <CAS Number> (895)
673-06-3

$$$$
Florfenicol.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (896)
1779

>  <Formula> (896)
C12H14Cl2FNO4S

>  <MolWeight> (896)
358.2132632

>  <Item Name> (896)
Florfenicol

>  <Catalog Number> (896)
S4201

>  <Synonyms> (896)
N/A

>  <Target> (896)
Antifection

>  <Form> (896)
Free Base

>  <URL> (896)
http://www.selleckchem.com/products/florfenicol.html

>  <CAS Number> (896)
73231-34-2

$$$$
Nefopam HCl.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (897)
1781

>  <Formula> (897)
C17H20ClNO

>  <MolWeight> (897)
289.7998

>  <Item Name> (897)
Nefopam HCl

>  <Catalog Number> (897)
S4180

>  <Synonyms> (897)
N/A

>  <Target> (897)
Others

>  <Form> (897)
Hydrochloride

>  <URL> (897)
http://www.selleckchem.com/products/nefopam-hcl.html

>  <CAS Number> (897)
23327-57-3

$$$$
NLG-919.cdx
csChFnd80/10101811552D

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1783

>  <Formula> (898)
C18H22N2O

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NLG919

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S7111

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>  <Target> (898)
IDO

>  <Form> (898)
Free Base

>  <URL> (898)
http://www.selleckchem.com/products/nlg919.html

>  <CAS Number> (898)
1402836-58-1

$$$$
Paromomycin Sulfate.cdx
csChFnd80/10101811552D

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 25 30  1  1  0  0  0
 26 31  1  1  0  0  0
 27 32  1  6  0  0  0
 32 33  1  0  0  0  0
 31 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
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 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
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 34 45  1  6  0  0  0
 46 47  2  0  0  0  0
 46 48  2  0  0  0  0
 46 49  1  0  0  0  0
 46 50  1  0  0  0  0
M  END
>  <Mol_ID> (899)
1784

>  <Formula> (899)
C23H47N5O18S

>  <MolWeight> (899)
713.70698

>  <Item Name> (899)
Paromomycin Sulfate

>  <Catalog Number> (899)
S4183

>  <Synonyms> (899)
N/A

>  <Target> (899)
Antifection

>  <Form> (899)
Sulfate

>  <URL> (899)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (899)
1263-89-4

$$$$

csChFnd80/10101811552D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  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
 12 16  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
 18 21  2  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 23 36  1  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <Mol_ID> (900)
1786

>  <Formula> (900)
C26H24N6O4S

>  <MolWeight> (900)
516.57156

>  <Item Name> (900)
Proflavine Hemisulfate

>  <Catalog Number> (900)
S4236

>  <Synonyms> (900)
N/A

>  <Target> (900)
Antifection

>  <Form> (900)
Sulfate

>  <URL> (900)
http://www.selleckchem.com/products/proflavine-hemisulfate.html

>  <CAS Number> (900)
1811-28-5

$$$$
b-AP15.cdx
csChFnd80/10101811552D

 31 33  0  0  0  0  0  0  0  0999 V2000
    2.4249    5.6000    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
    4.8497    5.6000    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    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    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
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  2  9  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  8  1  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 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 13 24  1  0  0  0  0
 16 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  2  0  0  0  0
 21 29  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (901)
1793

>  <Formula> (901)
C22H17N3O6

>  <MolWeight> (901)
419.38688

>  <Item Name> (901)
b-AP15

>  <Catalog Number> (901)
S4920

>  <Synonyms> (901)
N/A

>  <Target> (901)
DUB

>  <Form> (901)
Free Base

>  <URL> (901)
http://www.selleckchem.com/products/b-ap15.html

>  <CAS Number> (901)
1009817-63-3

$$$$
Bismuth subcitrate potassium.cdx
csChFnd80/10101811552D

 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
   15.3476    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   14.5917    5.6146    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    1.1750    6.8542    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    6.8164    4.2875    0.0000 Bi  0  1  0  0  0  0  0  0  0  0  0  0
    6.2330    7.8604    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    9.1959    7.7292    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    1.3476    5.3813    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5600    4.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7683    5.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    2.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    2.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    1.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7624    2.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7624    4.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9707    2.2986    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9123    0.9439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    3.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0476    3.7986    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 23 29  1  0  0  0  0
 21 30  1  0  0  0  0
 30 23  1  0  0  0  0
 24 31  2  0  0  0  0
 24 32  1  0  0  0  0
M  END
>  <Mol_ID> (902)
1794

>  <Formula> (902)
C12H10BiK5O14+2

>  <MolWeight> (902)
782.67128

>  <Item Name> (902)
Bismuth Subcitrate Potassium

>  <Catalog Number> (902)
S4093

>  <Synonyms> (902)
N/A

>  <Target> (902)
Antifection

>  <Form> (902)
Potassium salt

>  <URL> (902)
http://www.selleckchem.com/products/bismuth-subcitrate-potassium.html

>  <CAS Number> (902)
880149-29-1

$$$$
Clodronate disodium.cdx
csChFnd80/10101811552D

 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> (903)
1797

>  <Formula> (903)
CH2Cl2Na2O6P2

>  <MolWeight> (903)
288.856042

>  <Item Name> (903)
Clodronate Disodium

>  <Catalog Number> (903)
S4108

>  <Synonyms> (903)
N/A

>  <Target> (903)
Others

>  <Form> (903)
Disodium salt

>  <URL> (903)
http://www.selleckchem.com/products/clodronate-disodium.html

>  <CAS Number> (903)
22560-50-5, 10596-23-3(free base)

$$$$
Colistin sulfate.cdx
csChFnd80/10101811552D

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
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Antifection

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http://www.selleckchem.com/products/colistin-sulfate.html

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p97

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Free Base

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

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177355-84-9

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csChFnd80/10101811552D

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N/A

>  <Target> (906)
Tyrosinase,p97,Syk,Src

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Free Base

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1485-00-3

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E1 Activating

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>  <URL> (907)
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 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (908)
1819

>  <Formula> (908)
C15H27N5O5

>  <MolWeight> (908)
357.40538

>  <Item Name> (908)
E-64

>  <Catalog Number> (908)
S7379

>  <Synonyms> (908)
N/A

>  <Target> (908)
Cysteine Protease

>  <Form> (908)
Free Base

>  <URL> (908)
http://www.selleckchem.com/products/e-64.html

>  <CAS Number> (908)
66701-25-5

$$$$
PYR 41.cdx
csChFnd80/10101811552D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  3  7  2  0  0  0  0
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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  1  0  0  0  0
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  4 19  2  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  2  0  0  0  0
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 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (909)
1824

>  <Formula> (909)
C17H13N3O7

>  <MolWeight> (909)
371.30102

>  <Item Name> (909)
PYR-41

>  <Catalog Number> (909)
S7129

>  <Synonyms> (909)
N/A

>  <Target> (909)
E1 Activating

>  <Form> (909)
Free Base

>  <URL> (909)
http://www.selleckchem.com/products/pyr-41.html

>  <CAS Number> (909)
418805-02-4

$$$$
Ribostamycin Sulfate.cdx
csChFnd80/10101811552D

 36 37  0  0  0  0  0  0  0  0999 V2000
    6.0407    7.7146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0407    6.3098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2573    5.6073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4740    6.3098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4740    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2573    8.4171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8282    5.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6864    5.6098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6864    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9031    2.1024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 32 33  2  0  0  0  0
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 32 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (910)
1825

>  <Formula> (910)
C17H36N4O14S

>  <MolWeight> (910)
552.55114

>  <Item Name> (910)
Ribostamycin Sulfate

>  <Catalog Number> (910)
S4215

>  <Synonyms> (910)
N/A

>  <Target> (910)
Antifection

>  <Form> (910)
Sulfate

>  <URL> (910)
http://www.selleckchem.com/products/ribostamycin-sulfate.html

>  <CAS Number> (910)
53797-35-6

$$$$
tetramisole hydrochloride.cdx
csChFnd80/10101811552D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.8230    1.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1545    1.5805    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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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  6  7  1  0  0  0  0
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  1 14  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
>  <Mol_ID> (911)
1829

>  <Formula> (911)
C11H13ClN2S

>  <MolWeight> (911)
240.75232

>  <Item Name> (911)
Tetramisole HCl

>  <Catalog Number> (911)
S4094

>  <Synonyms> (911)
N/A

>  <Target> (911)
Antifection

>  <Form> (911)
Hydrochloride

>  <URL> (911)
http://www.selleckchem.com/products/tetramisole-hcl.html

>  <CAS Number> (911)
5086-74-8, 5036-02-2(free base)

$$$$
Bromosporine.cdx
csChFnd80/10101811552D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18  7  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (912)
1833

>  <Formula> (912)
C17H20N6O4S

>  <MolWeight> (912)
404.4435

>  <Item Name> (912)
Bromosporine

>  <Catalog Number> (912)
S7233

>  <Synonyms> (912)
N/A

>  <Target> (912)
Epigenetic Reader Domain

>  <Form> (912)
Free Base

>  <URL> (912)
http://www.selleckchem.com/products/bromosporine.html

$$$$
14028-44-5.cdx
csChFnd80/10101811552D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.6188    3.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5159    2.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2003    0.9581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Amoxapine

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GlyT

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Free Base

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

>  <CAS Number> (913)
14028-44-5

$$$$
Minocycline hydrochloride.cdx
csChFnd80/10101811552D

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1855

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C23H28ClN3O7

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Minocycline HCl

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S4226

>  <Synonyms> (914)
N/A

>  <Target> (914)
Antifectio

>  <Form> (914)
Hydrochloride

>  <URL> (914)
http://www.selleckchem.com/products/minocycline-hcl.html

>  <CAS Number> (914)
13614-98-7

$$$$
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csChFnd80/10101811552D

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MMP

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7497-07-6

$$$$
AZD1080.cdx
csChFnd80/10101811552D

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612487-72-6

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csChFnd80/10101811552D

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DNA Methyltransferase

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192441-08-0

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csChFnd80/10101811552D

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71555-25-4

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Bromfenac sodium.cdx
csChFnd80/10101811552D

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    7.3500    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   10.1502    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4502    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1502    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2502    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1502    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2502    6.0623    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.0502    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  8 12  1  0  0  0  0
  7 21  1  0  0  0  0
M  END
>  <Mol_ID> (919)
1871

>  <Formula> (919)
C15H11BrNNaO3

>  <MolWeight> (919)
356.14651

>  <Item Name> (919)
Bromfenac Sodium

>  <Catalog Number> (919)
S4248

>  <Synonyms> (919)
N/A

>  <Target> (919)
COX

>  <Form> (919)
Sodium Salt

>  <URL> (919)
http://www.selleckchem.com/products/bromfenac-sodium.html

>  <CAS Number> (919)
91714-93-1

$$$$
S4246.cdx
csChFnd80/10101811552D

 12 11  0  0  0  0  0  0  0  0999 V2000
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A   12
relative stereochemistry
M  END
>  <Mol_ID> (920)
1873

>  <Formula> (920)
C9H12ClNR

>  <MolWeight> (920)
169.65128

>  <Item Name> (920)
Tranylcypromine (2-PCPA) HCl

>  <Catalog Number> (920)
S4246

>  <Synonyms> (920)
N/A

>  <Target> (920)
MAO

>  <Form> (920)
Hydrochloride

>  <URL> (920)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

>  <CAS Number> (920)
4548-34-9

$$$$
Apramycin Sulfate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (921)
1878

>  <Formula> (921)
C21H43N5O15S

>  <MolWeight> (921)
637.65562

>  <Item Name> (921)
Apramycin Sulfate

>  <Catalog Number> (921)
S4254

>  <Synonyms> (921)
N/A

>  <Target> (921)
Antifection

>  <Form> (921)
Sulfate

>  <URL> (921)
http://www.selleckchem.com/products/apramycin-sulfate.html

>  <CAS Number> (921)
65710-07-8

$$$$
EPZ005687.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (922)
1879

>  <Formula> (922)
C32H37N5O3

>  <MolWeight> (922)
539.66788

>  <Item Name> (922)
EPZ005687

>  <Catalog Number> (922)
S7004

>  <Synonyms> (922)
N/A

>  <Target> (922)
Histone Methyltransferase

>  <Form> (922)
Free Base

>  <URL> (922)
http://www.selleckchem.com/products/epz005687.html

>  <CAS Number> (922)
1396772-26-1

$$$$
AZD3514.cdx
csChFnd80/10101811552D

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65673-63-4

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1894

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Purmorphamine

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S3042

>  <Synonyms> (927)
N/A

>  <Target> (927)
Hedgehog/Smoothened

>  <Form> (927)
Free Base

>  <URL> (927)
http://www.selleckchem.com/products/purmorphamine.html

>  <CAS Number> (927)
483367-10-8

$$$$
VX-745.cdx
csChFnd80/10101811552D

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1897

>  <Formula> (928)
C19H9Cl2F2N3OS

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VX-745

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S1458

>  <Synonyms> (928)
N/A

>  <Target> (928)
p38 MAPK 

>  <Form> (928)
Free Base

>  <URL> (928)
http://www.selleckchem.com/products/VX-745.html

>  <CAS Number> (928)
209410-46-8

$$$$
untitled.cdx
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>  <Mol_ID> (929)
1898

>  <Formula> (929)
C13H16N6O4

>  <MolWeight> (929)
320.30394

>  <Item Name> (929)
Triciribine

>  <Catalog Number> (929)
S1117

>  <Synonyms> (929)
N/A

>  <Target> (929)
Akt

>  <Form> (929)
Free Base

>  <URL> (929)
http://www.selleckchem.com/products/Triciribine.html

>  <CAS Number> (929)
35943-35-2

$$$$
AZD 1480.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (930)
1899

>  <Formula> (930)
C14H14ClFN8

>  <MolWeight> (930)
348.7659632

>  <Item Name> (930)
AZD1480

>  <Catalog Number> (930)
S2162

>  <Synonyms> (930)
N/A

>  <Target> (930)
JAK

>  <Form> (930)
Free Base

>  <URL> (930)
http://www.selleckchem.com/products/AZD1480.html

>  <CAS Number> (930)
935666-88-9, 1260222-79-4 (TFA)

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/10101811552D

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1902

>  <Formula> (931)
C17H15BrF2N4O3

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>  <Item Name> (931)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

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S7007

>  <Synonyms> (931)
N/A

>  <Target> (931)
MEK

>  <Form> (931)
Free Base

>  <URL> (931)
http://www.selleckchem.com/products/mek162.html

>  <CAS Number> (931)
606143-89-9

$$$$
brefeldin A.cdx
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    4.3383    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1125    7.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5374    7.7157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250    5.6157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7498    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9623    7.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  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
  7 11  2  0  0  0  0
  6  8  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  1 14  1  0  0  0  0
  2 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
  9 16  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
 21 24  1  0  0  0  0
  5 18  1  0  0  0  0
  3 25  1  6  0  0  0
 25 26  1  0  0  0  0
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 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (936)
1908

>  <Formula> (936)
C22H22ClN5O2

>  <MolWeight> (936)
423.89538

>  <Item Name> (936)
I-BET-762

>  <Catalog Number> (936)
S7189

>  <Synonyms> (936)
GSK525762, GSK525762A

>  <Target> (936)
Epigenetic Reader Domain

>  <Form> (936)
Free Base

>  <URL> (936)
http://www.selleckchem.com/products/i-bet-762.html

>  <CAS Number> (936)
1260907-17-2

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/10101811552D

 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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    4.5793    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    4.9282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3695    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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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  8 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 12  1  0  0  0  0
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 17 18  2  0  0  0  0
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 20 16  1  0  0  0  0
 18 21  1  0  0  0  0
 13 22  2  0  0  0  0
M  END
>  <Mol_ID> (937)
1909

>  <Formula> (937)
C16H10BrN3O2

>  <MolWeight> (937)
356.1735

>  <Item Name> (937)
BIO

>  <Catalog Number> (937)
S7198

>  <Synonyms> (937)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (937)
GSK-3

>  <Form> (937)
Free Base

>  <URL> (937)
http://www.selleckchem.com/products/bio.html

>  <CAS Number> (937)
667463-62-9

$$$$
Fosbretabulin disodium (Combretastatin A-4 phosphate disodium, CA4P disodium).cdx
csChFnd80/10101811552D

 29 28  0  0  0  0  0  0  0  0999 V2000
    3.3124    3.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1921    0.0000    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
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
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 11 15  2  0  0  0  0
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 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (938)
1910

>  <Formula> (938)
C18H19Na2O8P

>  <MolWeight> (938)
440.291961

>  <Item Name> (938)
Fosbretabulin (Combretastatin A4 Phosphate, 

>  <Catalog Number> (938)
S7204

>  <Synonyms> (938)
N/A

>  <Target> (938)
Microtubule Associated

>  <Form> (938)
Disodium salt

>  <URL> (938)
http://www.selleckchem.com/products/fosbretabulin-disodium-combretastatin-a-4-phosphate-dis

>  <CAS Number> (938)
168555-66-6

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/10101811552D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.1033    3.5086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4880    3.3204    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> (939)
1913

>  <Formula> (939)
C17H13N5

>  <MolWeight> (939)
287.31862

>  <Item Name> (939)
RepSox

>  <Catalog Number> (939)
S7223

>  <Synonyms> (939)
E-616452, SJN 2511

>  <Target> (939)
TGF-beta/Smad

>  <Form> (939)
Free Base

>  <URL> (939)
http://www.selleckchem.com/products/repsox.html

>  <CAS Number> (939)
446859-33-2

$$$$
RGFP966.cdx
csChFnd80/10101811552D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
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M  END
>  <Mol_ID> (940)
1914

>  <Formula> (940)
C21H19FN4O

>  <MolWeight> (940)
362.4001632

>  <Item Name> (940)
RGFP966

>  <Catalog Number> (940)
S7229

>  <Synonyms> (940)
N/A

>  <Target> (940)
HDAC

>  <Form> (940)
Free Base

>  <URL> (940)
http://www.selleckchem.com/products/rgfp966.html

>  <CAS Number> (940)
1396841-57-8

$$$$
Ferrostatin-1 (Fer-1).cdx
csChFnd80/10101811552D

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1915

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C15H22N2O2

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Ferrostatin-1 (Fer-1)

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S7243

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N/A

>  <Target> (941)
Ferroptosis

>  <Form> (941)
Free Base

>  <URL> (941)
http://www.selleckchem.com/products/ferrostatin-1-fer-1.html

>  <CAS Number> (941)
347174-05-4

$$$$
AZD2858.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (942)
1916

>  <Formula> (942)
C21H23N7O3S

>  <MolWeight> (942)
453.51742

>  <Item Name> (942)
AZD2858

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S7253

>  <Synonyms> (942)
N/A

>  <Target> (942)
GSK-3

>  <Form> (942)
Free Base

>  <URL> (942)
http://www.selleckchem.com/products/azd2858.html

>  <CAS Number> (942)
486424-20-8

$$$$
¦Â-Lapachone (ARQ-501).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (943)
1917

>  <Formula> (943)
C15H14O3

>  <MolWeight> (943)
242.26986

>  <Item Name> (943)
Beta-Lapachone

>  <Catalog Number> (943)
S7261

>  <Synonyms> (943)
¦Â-Lapachone, ARQ-501

>  <Target> (943)
Topoisomerase

>  <Form> (943)
Free Base

>  <URL> (943)
http://www.selleckchem.com/products/beta-lapachone.html

>  <CAS Number> (943)
4707-32-8

$$$$
ZM39923 HCl.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (944)
1918

>  <Formula> (944)
C23H26ClNO

>  <MolWeight> (944)
367.91164

>  <Item Name> (944)
ZM 39923 HCl

>  <Catalog Number> (944)
S8004

>  <Synonyms> (944)
N/A

>  <Target> (944)
JAK

>  <Form> (944)
HCl

>  <URL> (944)
http://www.selleckchem.com/products/zm-39923-hcl.html

>  <CAS Number> (944)
1021868-92-7

$$$$
dynasore .cdx
csChFnd80/10101811552D

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1919

>  <Formula> (945)
C18H14N2O4

>  <MolWeight> (945)
322.31476

>  <Item Name> (945)
Dynasore

>  <Catalog Number> (945)
S8047

>  <Synonyms> (945)
N/A

>  <Target> (945)
Dynamin

>  <Form> (945)
Free Base

>  <URL> (945)
http://www.selleckchem.com/products/dynasore.html

>  <CAS Number> (945)
304448-55-3

$$$$
PluriSln 1(NSC 14613).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (946)
1920

>  <Formula> (946)
C12H11N3O

>  <MolWeight> (946)
213.23524

>  <Item Name> (946)
PluriSIn #1 (NSC 14613)

>  <Catalog Number> (946)
S8076

>  <Synonyms> (946)
N/A

>  <Target> (946)
Dehydrogenase

>  <Form> (946)
Free Base

>  <URL> (946)
http://www.selleckchem.com/products/PluriSIn-1-nsc-14613.html

>  <CAS Number> (946)
91396-88-2

$$$$
SGC 0946.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (947)
1921

>  <Formula> (947)
C28H40BrN7O4

>  <MolWeight> (947)
618.5657

>  <Item Name> (947)
SGC 0946

>  <Catalog Number> (947)
S7079

>  <Synonyms> (947)
N/A

>  <Target> (947)
Histone Methyltransferase

>  <Form> (947)
Free Base

>  <URL> (947)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
Erastin.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (948)
1922

>  <Formula> (948)
C30H31ClN4O4

>  <MolWeight> (948)
547.04454

>  <Item Name> (948)
Erastin

>  <Catalog Number> (948)
S7242

>  <Synonyms> (948)
N/A

>  <Target> (948)
Ferroptosis

>  <Form> (948)
Free Base

>  <URL> (948)
http://www.selleckchem.com/products/erastin.html

>  <CAS Number> (948)
571203-78-6

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/10101811552D

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 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (949)
1924

>  <Formula> (949)
C26H27N5O5S2

>  <MolWeight> (949)
553.65308

>  <Item Name> (949)
Ro 31-8220 Mesylate

>  <Catalog Number> (949)
S7207

>  <Synonyms> (949)
Bisindolylmaleimide IX Mesylate

>  <Target> (949)
PKC

>  <Form> (949)
Mesylate

>  <URL> (949)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

>  <CAS Number> (949)
138489-18-6

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/10101811552D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680    5.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    5.1875    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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  8  9  1  0  0  0  0
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  9 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (950)
1925

>  <Formula> (950)
C8H7NO2S

>  <MolWeight> (950)
181.21168

>  <Item Name> (950)
Pifithrin-¦Ì

>  <Catalog Number> (950)
S2930

>  <Synonyms> (950)
NSC 303580, PFT¦Ì

>  <Target> (950)
p53

>  <Form> (950)
Free Base

>  <URL> (950)
http://www.selleckchem.com/products/pifithrin-u.html

>  <CAS Number> (950)
64984-31-2

$$$$
Bardoxolone Methyl.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (951)
1927

>  <Formula> (951)
C32H43NO4

>  <MolWeight> (951)
505.68812

>  <Item Name> (951)
Bardoxolone Methyl

>  <Catalog Number> (951)
S8078

>  <Synonyms> (951)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (951)
I¦ÊB/IKK

>  <Form> (951)
Free Base

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

>  <CAS Number> (951)
218600-53-4

$$$$
CZC24832.cdx
csChFnd80/10101811552D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (952)
1928

>  <Formula> (952)
C15H17FN6O2S

>  <MolWeight> (952)
364.3978832

>  <Item Name> (952)
CZC24832

>  <Catalog Number> (952)
S7018

>  <Synonyms> (952)
N/A

>  <Target> (952)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (952)
Free Base

>  <URL> (952)
http://www.selleckchem.com/products/czc24832.html

>  <CAS Number> (952)
1159824-67-5

$$$$
SGI-1027.cdx
csChFnd80/10101811552D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (953)
1930

>  <Formula> (953)
C27H23N7O

>  <MolWeight> (953)
461.51782

>  <Item Name> (953)
SGI-1027

>  <Catalog Number> (953)
S7276

>  <Synonyms> (953)
DNA Methyltransferase Inhibitor II

>  <Target> (953)
DNA Methyltransferase

>  <Form> (953)
Free Base

>  <URL> (953)
http://www.selleckchem.com/products/sgi-1027.html

>  <CAS Number> (953)
1020149-73-8

$$$$
ETP-46464.cdx
csChFnd80/10101811552D

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 10  6  1  0  0  0  0
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 14  8  1  0  0  0  0
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 30 25  1  0  0  0  0
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 31 34  1  0  0  0  0
 32 35  3  0  0  0  0
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M  END
>  <Mol_ID> (954)
1932

>  <Formula> (954)
C30H22N4O2

>  <MolWeight> (954)
470.52128

>  <Item Name> (954)
ETP-46464

>  <Catalog Number> (954)
S8050

>  <Synonyms> (954)
N/A

>  <Target> (954)
mTOR

>  <Form> (954)
Free Base

>  <URL> (954)
http://www.selleckchem.com/products/etp-46464.html

>  <CAS Number> (954)
1345675-02-6

$$$$
Golgicide A.cdx
csChFnd80/10101811552D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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 16 10  1  0  0  0  0
 13 17  1  0  0  0  0
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 20 21  1  0  0  0  0
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 12 22  1  1  0  0  0
 11 23  1  1  0  0  0
M  END
>  <Mol_ID> (955)
1933

>  <Formula> (955)
C17H14F2N2

>  <MolWeight> (955)
284.3032664

>  <Item Name> (955)
Golgicide A

>  <Catalog Number> (955)
S7266

>  <Synonyms> (955)
N/A

>  <Target> (955)
ATPase

>  <Form> (955)
Free Base

>  <URL> (955)
http://www.selleckchem.com/products/golgicide-a.html

>  <CAS Number> (955)
1139889-93-2

$$$$
XL388.cdx
csChFnd80/10101811552D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.9705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8709    2.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7438    3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0554    4.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4234    1.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 13  8  1  0  0  0  0
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 18 12  1  0  0  0  0
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M  END
>  <Mol_ID> (956)
1934

>  <Formula> (956)
C23H22FN3O4S

>  <MolWeight> (956)
455.5018832

>  <Item Name> (956)
XL388

>  <Catalog Number> (956)
S7035

>  <Synonyms> (956)
N/A

>  <Target> (956)
mTOR

>  <Form> (956)
Free Base

>  <URL> (956)
http://www.selleckchem.com/products/xl388.html

>  <CAS Number> (956)
1251156-08-7

$$$$
CO-1686(AVL-301).cdx
csChFnd80/10101811552D

 40 43  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (957)
1935

>  <Formula> (957)
C27H28F3N7O3

>  <MolWeight> (957)
555.5515296

>  <Item Name> (957)
Rociletinib (CO-1686, AVL-301)

>  <Catalog Number> (957)
S7284

>  <Synonyms> (957)
CNX-419, AVL-301

>  <Target> (957)
EGFR

>  <Form> (957)
Free Base

>  <URL> (957)
http://www.selleckchem.com/products/co-1686.html

>  <CAS Number> (957)
1374640-70-6

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/10101811552D

 32 34  0  0  0  0  0  0  0  0999 V2000
   10.2024    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2024    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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C24H27Cl2N5O

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Dorsomorphin (Compound C) 2HCl

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BML-275,Compound C

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AMPK

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Dihydrochloride

>  <URL> (958)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

>  <CAS Number> (958)
1219168-18-9

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EHop-016.cdx
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C25H30N6O

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N/A

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Rac

>  <Form> (959)
Free Base

>  <URL> (959)
http://www.selleckchem.com/products/ehop-016.html

>  <CAS Number> (959)
1380432-32-5

$$$$
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1938

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C16H16F3N3O3

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S7125

>  <Synonyms> (960)
N/A

>  <Target> (960)
CRM1

>  <Form> (960)
Free Base

>  <URL> (960)
http://www.selleckchem.com/products/kpt-185.html

>  <CAS Number> (960)
1333151-73-7

$$$$
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>  <URL> (961)
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1421919-75-6

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>  <Mol_ID> (962)
1940

>  <Formula> (962)
C24H21F2NO4

>  <MolWeight> (962)
425.4246464

>  <Item Name> (962)
Skepinone-L

>  <Catalog Number> (962)
S7214

>  <Synonyms> (962)
N/A

>  <Target> (962)
p38 MAPK

>  <Form> (962)
Free Base

>  <URL> (962)
http://www.selleckchem.com/products/skepinone-l.html

>  <CAS Number> (962)
1221485-83-1

$$$$
Thioridazine hydrochloride.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (963)
2045

>  <Formula> (963)
C21H27ClN2S2

>  <MolWeight> (963)
407.03548

>  <Item Name> (963)
Thioridazine hydrochloride

>  <Catalog Number> (963)
S5563

>  <Synonyms> (963)
Aldazine, Mellaril

>  <Target> (963)
Others

>  <Form> (963)
hydrochloride 

>  <URL> (963)
http://selleckchem.com/products/thioridazine-hydrochloride.html

>  <CAS Number> (963)
130-61-0

$$$$
Emtricitabine.cdx
csChFnd80/10101811552D

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 10  5  1  6  0  0  0
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M  END
>  <Mol_ID> (964)
2053

>  <Formula> (964)
C8H10FN3O3S

>  <MolWeight> (964)
247.2467032

>  <Item Name> (964)
Emtricitabine

>  <Catalog Number> (964)
S1704

>  <Synonyms> (964)
Atripla

>  <Target> (964)
Reverse Transcriptase

>  <Form> (964)
Free Base

>  <URL> (964)
http://www.selleckchem.com/products/Emtricitabine.html

>  <CAS Number> (964)
143491-57-0

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/10101811552D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (965)
2063

>  <Formula> (965)
C15H12O7

>  <MolWeight> (965)
304.25158

>  <Item Name> (965)
Taxifolin (Dihydroquercetin)

>  <Catalog Number> (965)
S2366

>  <Synonyms> (965)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (965)
VEGFR

>  <Form> (965)
Free Base

>  <URL> (965)
http://www.selleckchem.com/products/Taxifolin(Dihydroquercetin).html

>  <CAS Number> (965)
480-18-2

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/10101811552D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (966)
2070

>  <Formula> (966)
C22H29FN3O9P

>  <MolWeight> (966)
529.4525242

>  <Item Name> (966)
Sofosbuvir(PSI-7977)

>  <Catalog Number> (966)
S2794

>  <Synonyms> (966)
N/A

>  <Target> (966)
DNA/RNA Synthesis

>  <Form> (966)
Free Base

>  <URL> (966)
http://www.selleckchem.com/products/psi-7977-gs-7977.html

>  <CAS Number> (966)
1190307-88-0

$$$$
Vilazodone Hydrochloride.cdx
csChFnd80/10101811552D

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2078

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Vilazodone Hydrochloride

>  <Catalog Number> (967)
S4259 

>  <Synonyms> (967)
N/A

>  <Target> (967)
Others

>  <Form> (967)
Hydrochloride

>  <URL> (967)
http://www.selleckchem.com/products/vilazodone-hcl.html

>  <CAS Number> (967)
163521-08-2

$$$$
bms-345541.cdx
csChFnd80/10101811552D

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bms-345541

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S8044

>  <Synonyms> (968)
N/A

>  <Target> (968)
I¦ÊB/IKK

>  <Form> (968)
Free Base

>  <URL> (968)
http://www.selleckchem.com/products/bms-345541.html

>  <CAS Number> (968)
445430-58-0

$$$$
EPZ-6438 (E7438).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (969)
2081

>  <Formula> (969)
C34H44N4O4

>  <MolWeight> (969)
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>  <Item Name> (969)
Tazemetostat (EPZ-6438)

>  <Catalog Number> (969)
S7128

>  <Synonyms> (969)
E7438

>  <Target> (969)
Histone Methyltransferase

>  <Form> (969)
Free Base

>  <URL> (969)
http://www.selleckchem.com/products/epz-6438.html

>  <CAS Number> (969)
1403254-99-8

$$$$
TELAPREVIR (VX-950).cdx
csChFnd80/10101811552D

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1191252-49-9

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>  <Mol_ID> (986)
2105

>  <Formula> (986)
C28H32N4O3

>  <MolWeight> (986)
472.57868

>  <Item Name> (986)
Pacritinib (SB1518)

>  <Catalog Number> (986)
S8057

>  <Synonyms> (986)
N/A

>  <Target> (986)
JAK

>  <Form> (986)
Free Base

>  <URL> (986)
http://www.selleckchem.com/products/pacritinib-sb1518.html

>  <CAS Number> (986)
937272-79-2

$$$$
Rilpivirine.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (987)
2106

>  <Formula> (987)
C22H18N6

>  <MolWeight> (987)
366.41852

>  <Item Name> (987)
Rilpivirine

>  <Catalog Number> (987)
S7303

>  <Synonyms> (987)
R278474, TMC278

>  <Target> (987)
Reverse Transcriptase

>  <Form> (987)
Free Base

>  <URL> (987)
http://www.selleckchem.com/products/rilpivirine.html

>  <CAS Number> (987)
500287-72-9

$$$$
JSH-23.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (988)
2107

>  <Formula> (988)
C16H20N2

>  <MolWeight> (988)
240.3434

>  <Item Name> (988)
JSH-23

>  <Catalog Number> (988)
S7351

>  <Synonyms> (988)
N/A

>  <Target> (988)
NF-¦ÊB

>  <Form> (988)
Free Base

>  <URL> (988)
http://www.selleckchem.com/products/jsh-23.html

>  <CAS Number> (988)
749886-87-1

$$$$
RG2833 (RGFP109).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (989)
2109

>  <Formula> (989)
C20H25N3O2

>  <MolWeight> (989)
339.4314

>  <Item Name> (989)
RG2833 (RGFP109)

>  <Catalog Number> (989)
S7292 

>  <Synonyms> (989)
N/A

>  <Target> (989)
HDAC

>  <Form> (989)
Free Base

>  <URL> (989)
http://www.selleckchem.com/products/rg2833-rgfp109.html

>  <CAS Number> (989)
1215493-56-3

$$$$
TG003.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (990)
2114

>  <Formula> (990)
C13H15NO2S

>  <MolWeight> (990)
249.3287

>  <Item Name> (990)
TG003

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S7320

>  <Synonyms> (990)
N/A

>  <Target> (990)
CDK

>  <Form> (990)
Free Base

>  <URL> (990)
http://www.selleckchem.com/products/tg003.html

>  <CAS Number> (990)
300801-52-9

$$$$
WZ4003.cdx
csChFnd80/10101811552D

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Caffeic acid phenethyl ester(CAPE)

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CAPE, Phenylethyl Caffeate

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NF-¦ÊB

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Free Base

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http://www.selleckchem.com/products/caffeic-acid-phenethyl-ester.html

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104594-70-9

$$$$
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csChFnd80/10101811552D

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ASP3026

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N/A

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ALK

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Free Base

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http://www.selleckchem.com/products/asp3026.html

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1097917-15-1

$$$$
LGK-974.cdx
csChFnd80/10101811552D

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2121

>  <Formula> (997)
C23H20N6O

>  <MolWeight> (997)
396.4445

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LGK-974

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S7143

>  <Synonyms> (997)
N/A

>  <Target> (997)
Wnt/beta-catenin

>  <Form> (997)
Free Base

>  <URL> (997)
http://www.selleckchem.com/products/lgk-974.html

>  <CAS Number> (997)
1243244-14-5

$$$$
AZ20.cdx
csChFnd80/10101811552D

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>  <Formula> (998)
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ATM/ATR

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Free Base

>  <URL> (998)
http://www.selleckchem.com/products/az20.html

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1233339-22-4

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No

$$$$
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M  END
>  <Mol_ID> (1,043)
2183

>  <Formula> (1,043)
C53H66N4O20

>  <MolWeight> (1,043)
1079.10594

>  <Item Name> (1,043)
Vinorelbine Tartrate

>  <Catalog Number> (1,043)
S4269

>  <Synonyms> (1,043)
N/A

>  <Target> (1,043)
Microtubule Associated

>  <Form> (1,043)
Tartrate

>  <URL> (1,043)
http://www.selleckchem.com/products/vinorelbine-tartrate.html

>  <CAS Number> (1,043)
125317-39-7

$$$$
E-64c (Loxistatin Acid).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,044)
2184

>  <Formula> (1,044)
C15H26N2O5

>  <MolWeight> (1,044)
314.37734

>  <Item Name> (1,044)
Loxistatin Acid (E-64C)

>  <Catalog Number> (1,044)
S7392

>  <Synonyms> (1,044)
NSC 694279, EP 475

>  <Target> (1,044)
Cysteine Protease

>  <Form> (1,044)
Free Base

>  <URL> (1,044)
http://www.selleckchem.com/products/loxistatin-acid-e-64c.html

>  <CAS Number> (1,044)
76684-89-4

$$$$
Trelagliptin.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,045)
2187

>  <Formula> (1,045)
C18H20FN5O2

>  <MolWeight> (1,045)
357.3821032

>  <Item Name> (1,045)
Trelagliptin

>  <Catalog Number> (1,045)
S7513

>  <Synonyms> (1,045)
SYR-472

>  <Target> (1,045)
DPP-4

>  <Form> (1,045)
Free Base

>  <URL> (1,045)
http://www.selleckchem.com/products/trelagliptin.html

>  <CAS Number> (1,045)
865759-25-7

$$$$
PU-H71.cdx
csChFnd80/10101811552D

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INH1.cdx
csChFnd80/10101811552D

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http://www.selleckchem.com/products/ptc-209-hbr.html

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1217022-63-3

$$$$
CX-6258 HCl .cdx
csChFnd80/10101811552D

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$$$$
EHT 1864.cdx
csChFnd80/10101811552D

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BTK

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Free Base

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http://www.selleckchem.com/products/cgi1746.html

>  <CAS Number> (1,087)
910232-84-7

$$$$
PI-1840.cdx
csChFnd80/10101811552D

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S7462

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N/A

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Proteasome

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Free Base

>  <URL> (1,088)
http://www.selleckchem.com/products/pi-1840.html

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1401223-22-0

$$$$
(-)-p-Bromotetramisole oxalate.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,089)
2238

>  <Formula> (1,089)
C13H13BrN2O4S

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(-)-p-Bromotetramisole Oxalate

>  <Catalog Number> (1,089)
S7383

>  <Synonyms> (1,089)
L-p-Bromotetramisole Oxalate

>  <Target> (1,089)
Others

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Oxalate

>  <URL> (1,089)
http://www.selleckchem.com/products/--p-Bromotetramisole-Oxalate.html

>  <CAS Number> (1,089)
62284-79-1

$$$$
AEBSF hydrochloride .cdx
csChFnd80/10101811552D

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2239

>  <Formula> (1,090)
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AEBSF HCl

>  <Catalog Number> (1,090)
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>  <Synonyms> (1,090)
N/A

>  <Target> (1,090)
Serine Protease

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Hydrochloride

>  <URL> (1,090)
http://www.selleckchem.com/products/aebsf-hcl.html

>  <CAS Number> (1,090)
30827-99-7

$$$$
MALT1 inhibitor.cdx
csChFnd80/10101811552D

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2242

>  <Formula> (1,091)
C19H17Cl3N4O3

>  <MolWeight> (1,091)
455.72228

>  <Item Name> (1,091)
MI-2 (MALT1 inhibitor)

>  <Catalog Number> (1,091)
S7429

>  <Synonyms> (1,091)
N/A

>  <Target> (1,091)
MALT

>  <Form> (1,091)
Free Base

>  <URL> (1,091)
http://www.selleckchem.com/products/mi-2-malt1-inhibitor.html

>  <CAS Number> (1,091)
1047953-91-2

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/10101811552D

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S7304

>  <Synonyms> (1,095)
N/A

>  <Target> (1,095)
Epigenetic Reader Domain

>  <Form> (1,095)
Free Base

>  <URL> (1,095)
http://www.selleckchem.com/products/cpi-203.html

>  <CAS Number> (1,095)
1446144-04-2

$$$$
Leupeptin hemisulfate .cdx
csChFnd80/10101811552D

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Leupeptin Hemisulfate

>  <Catalog Number> (1,096)
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>  <Synonyms> (1,096)
N/A

>  <Target> (1,096)
Serine Protease

>  <Form> (1,096)
Free Base

>  <URL> (1,096)
http://www.selleckchem.com/products/leupeptin-hemisulfate.html

>  <CAS Number> (1,096)
103476-89-7

$$$$
Puromycin dihydrochloride.cdx
csChFnd80/10101811552D

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>  <Formula> (1,097)
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>  <MolWeight> (1,097)
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>  <Item Name> (1,097)
Puromycin 2HCl

>  <Catalog Number> (1,097)
S7417

>  <Synonyms> (1,097)
N/A

>  <Target> (1,097)
Antifection

>  <Form> (1,097)
Dihydrochloride

>  <URL> (1,097)
http://www.selleckchem.com/products/Puromycin-2HCl.html

>  <CAS Number> (1,097)
58-58-2

$$$$
TMP269.cdx
csChFnd80/10101811552D

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2251

>  <Formula> (1,098)
C25H21F3N4O3S

>  <MolWeight> (1,098)
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>  <Catalog Number> (1,098)
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>  <Synonyms> (1,098)
N/A

>  <Target> (1,098)
HDAC

>  <Form> (1,098)
Free Base

>  <URL> (1,098)
http://www.selleckchem.com/products/tmp269.html

>  <CAS Number> (1,098)
1314890-29-3

$$$$
BAY57-1293.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,108)
2263

>  <Formula> (1,108)
C21H18Cl2N4OS

>  <MolWeight> (1,108)
445.36482

>  <Item Name> (1,108)
PD173955

>  <Catalog Number> (1,108)
S7269

>  <Synonyms> (1,108)
N/A 

>  <Target> (1,108)
Bcr-Abl

>  <Form> (1,108)
Free Base

>  <URL> (1,108)
http://www.selleckchem.com/products/pd173955.html

>  <CAS Number> (1,108)
260415-63-2

$$$$
Nelfinavir mesylate .cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,109)
2264

>  <Formula> (1,109)
C33H49N3O7S2

>  <MolWeight> (1,109)
663.88806

>  <Item Name> (1,109)
Nelfinavir Mesylate

>  <Catalog Number> (1,109)
S4282

>  <Synonyms> (1,109)
N/A

>  <Target> (1,109)
HIV Protease

>  <Form> (1,109)
Mesylate

>  <URL> (1,109)
http://www.selleckchem.com/products/nelfinavir-mesylate.html

>  <CAS Number> (1,109)
159989-65-8

$$$$
Rilmenidine phosphate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,110)
2265

>  <Formula> (1,110)
C10H19N2O5P

>  <MolWeight> (1,110)
278.242021

>  <Item Name> (1,110)
Rilmenidine Phosphate

>  <Catalog Number> (1,110)
S7548

>  <Synonyms> (1,110)
N/A

>  <Target> (1,110)
Others

>  <Form> (1,110)
Phosphate

>  <URL> (1,110)
http://www.selleckchem.com/products/rilmenidine-phosphate.html

>  <CAS Number> (1,110)
85409-38-7

$$$$
Demeclocycline hydrochloride.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,111)
2268

>  <Formula> (1,111)
C21H22Cl2N2O8

>  <MolWeight> (1,111)
501.31398

>  <Item Name> (1,111)
Demeclocycline HCl

>  <Catalog Number> (1,111)
S4279

>  <Synonyms> (1,111)
N/A

>  <Target> (1,111)
Antifection

>  <Form> (1,111)
Hydrochloride

>  <URL> (1,111)
http://www.selleckchem.com/products/demeclocycline-hci.html

>  <CAS Number> (1,111)
64-73-3

$$$$
Cyclobenzaprine HCl.cdx
csChFnd80/10101811552D

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C20H22ClN

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>  <Item Name> (1,112)
Cyclobenzaprine HCl

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S4283

>  <Synonyms> (1,112)
N/A

>  <Target> (1,112)
5-HT Receptor

>  <Form> (1,112)
Hydrochloride

>  <URL> (1,112)
http://www.selleckchem.com/products/cyclobenzaprine-hci.html

>  <CAS Number> (1,112)
6202-23-9

$$$$
SB-3CT.cdx
csChFnd80/10101811552D

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>  <Formula> (1,113)
C15H14O3S2

>  <MolWeight> (1,113)
306.39986

>  <Item Name> (1,113)
SB-3CT

>  <Catalog Number> (1,113)
S7430

>  <Synonyms> (1,113)
N/A

>  <Target> (1,113)
MMP

>  <Form> (1,113)
Free Base

>  <URL> (1,113)
http://www.selleckchem.com/products/sb-3ct.html

>  <CAS Number> (1,113)
292605-14-2

$$$$
Anidulafungin.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,114)
2272

>  <Formula> (1,114)
C58H73N7O17

>  <MolWeight> (1,114)
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>  <Item Name> (1,114)
Anidulafungin (LY303366)

>  <Catalog Number> (1,114)
S4286

>  <Synonyms> (1,114)
N/A

>  <Target> (1,114)
Antifection

>  <Form> (1,114)
Free Base

>  <URL> (1,114)
http://www.selleckchem.com/products/anidulafungin-ly303366.html

>  <CAS Number> (1,114)
166663-25-8

$$$$
Chloroambucil.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,115)
2273

>  <Formula> (1,115)
C14H19Cl2NO2

>  <MolWeight> (1,115)
304.21216

>  <Item Name> (1,115)
Chloroambucil

>  <Catalog Number> (1,115)
S4288

>  <Synonyms> (1,115)
Chlorambucil

>  <Target> (1,115)
DNA/RNA Synthesis

>  <Form> (1,115)
Free Base

>  <URL> (1,115)
http://www.selleckchem.com/products/chloroambucil.html

>  <CAS Number> (1,115)
305-03-3

$$$$
Bambuterol HCl.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,116)
2274

>  <Formula> (1,116)
C18H30ClN3O5

>  <MolWeight> (1,116)
403.9009

>  <Item Name> (1,116)
Bambuterol HCl

>  <Catalog Number> (1,116)
S4277

>  <Synonyms> (1,116)
N/A

>  <Target> (1,116)
Adrenergic Receptor

>  <Form> (1,116)
Hydrochloride

>  <URL> (1,116)
http://www.selleckchem.com/products/bambuterol-hci.html

>  <CAS Number> (1,116)
81732-46-9

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,117)
2275

>  <Formula> (1,117)
C16H21ClIN3O4S

>  <MolWeight> (1,117)
513.77811

>  <Item Name> (1,117)
K-Ras(G12C) inhibitor 9

>  <Catalog Number> (1,117)
S7332

>  <Synonyms> (1,117)
N/A

>  <Target> (1,117)
Rho

>  <Form> (1,117)
Free Base

>  <URL> (1,117)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

>  <CAS Number> (1,117)
1469337-91-4

$$$$
SH-4-54.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,118)
2276

>  <Formula> (1,118)
C29H27F5N2O5S

>  <MolWeight> (1,118)
610.592096

>  <Item Name> (1,118)
SH-4-54

>  <Catalog Number> (1,118)
S7337

>  <Synonyms> (1,118)
N/A

>  <Target> (1,118)
STAT

>  <Form> (1,118)
Free Base

>  <URL> (1,118)
http://www.selleckchem.com/products/sh-4-54.html

>  <CAS Number> (1,118)
1456632-40-8

$$$$
GDC0994.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,119)
2278

>  <Formula> (1,119)
C21H18ClFN6O2

>  <MolWeight> (1,119)
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>  <Item Name> (1,119)
GDC-0994

>  <Catalog Number> (1,119)
S7554

>  <Synonyms> (1,119)
N/A

>  <Target> (1,119)
ERK

>  <Form> (1,119)
Free Base

>  <URL> (1,119)
http://www.selleckchem.com/products/gdc-0994.html

>  <CAS Number> (1,119)
1453848-26-4

$$$$
Micafungin sodium.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,120)
2280

>  <Formula> (1,120)
C56H70N9NaO23S

>  <MolWeight> (1,120)
1292.25627

>  <Item Name> (1,120)
Micafungin Sodium

>  <Catalog Number> (1,120)
S4287

>  <Synonyms> (1,120)
FK463 Sodium

>  <Target> (1,120)
Antifection

>  <Form> (1,120)
Sodium Salt

>  <URL> (1,120)
http://www.selleckchem.com/products/micafungin-sodium.html

>  <CAS Number> (1,120)
208538-73-2

$$$$
Zotarolimus.cdx
csChFnd80/10101811552D

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mTOR

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99755-59-6

$$$$
PD 151746 .cdx
csChFnd80/10101811552D

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179461-52-0

$$$$
Go6976.cdx
csChFnd80/10101811552D

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PKC

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136194-77-9

$$$$
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Free Base

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http://www.selleckchem.com/products/wh-4-023.html

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837422-57-8

$$$$
N6022.cdx
csChFnd80/10101811552D

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http://www.selleckchem.com/products/n6022.html

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1208315-24-5

$$$$
Phosphoramidon disodium salt.cdx
csChFnd80/10101811552D

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>  <Formula> (1,127)
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Phosphoramidon Disodium Salt

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>  <Synonyms> (1,127)
N/A

>  <Target> (1,127)
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Disodium Salt

>  <URL> (1,127)
http://www.selleckchem.com/products/phosphoramidon-disodium-salt.html

>  <CAS Number> (1,127)
164204-38-0

$$$$
Digoxin .cdx
csChFnd80/10101811552D

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>  <Formula> (1,128)
C41H64O14

>  <MolWeight> (1,128)
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>  <Item Name> (1,128)
Digoxin

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S4290

>  <Synonyms> (1,128)
N/A

>  <Target> (1,128)
Sodium Channel

>  <Form> (1,128)
Free Base

>  <URL> (1,128)
http://www.selleckchem.com/products/digoxin.html

>  <CAS Number> (1,128)
20830-75-5

$$$$
Dicoumarol.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,129)
2290

>  <Formula> (1,129)
C19H12O6

>  <MolWeight> (1,129)
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>  <Item Name> (1,129)
Dicoumarol

>  <Catalog Number> (1,129)
S4299

>  <Synonyms> (1,129)
Dicumarol

>  <Target> (1,129)
Others

>  <Form> (1,129)
Free Base

>  <URL> (1,129)
http://www.selleckchem.com/products/dicoumarol.html

>  <CAS Number> (1,129)
66-76-2

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,130)
2291

>  <Formula> (1,130)
C19H17NO3

>  <MolWeight> (1,130)
307.34318

>  <Item Name> (1,130)
SF1670 (PTEN inhibitor)

>  <Catalog Number> (1,130)
S7310

>  <Synonyms> (1,130)
N/A

>  <Target> (1,130)
PTEN

>  <Form> (1,130)
Free Base

>  <URL> (1,130)
http://www.selleckchem.com/products/sf1670.html

>  <CAS Number> (1,130)
345630-40-2

$$$$
IM-12.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,131)
2292

>  <Formula> (1,131)
C22H20FN3O2

>  <MolWeight> (1,131)
377.4115032

>  <Item Name> (1,131)
IM-12

>  <Catalog Number> (1,131)
S7566

>  <Synonyms> (1,131)
N/A

>  <Target> (1,131)
GSK-3

>  <Form> (1,131)
Free Base

>  <URL> (1,131)
http://www.selleckchem.com/products/im-12.html

>  <CAS Number> (1,131)
1129669-05-1

$$$$
Procainamide hydrochloride.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,132)
2293

>  <Formula> (1,132)
C13H22ClN3O

>  <MolWeight> (1,132)
271.78628

>  <Item Name> (1,132)
Procainamide HCl

>  <Catalog Number> (1,132)
S4294

>  <Synonyms> (1,132)
N/A

>  <Target> (1,132)
Sodium Channel

>  <Form> (1,132)
Hydrochloride

>  <URL> (1,132)
http://www.selleckchem.com/products/procainamide-hcl.html

>  <CAS Number> (1,132)
614-39-1

$$$$
deltarasin.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,133)
2295

>  <Formula> (1,133)
C40H37N5O

>  <MolWeight> (1,133)
603.75468

>  <Item Name> (1,133)
Deltarasin

>  <Catalog Number> (1,133)
S7224

>  <Synonyms> (1,133)
N/A

>  <Target> (1,133)
PDE

>  <Form> (1,133)
Free Base

>  <URL> (1,133)
http://www.selleckchem.com/products/deltarasin.html

>  <CAS Number> (1,133)
1440898-61-2

$$$$
 Optovin.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,134)
2296

>  <Formula> (1,134)
C15H13N3OS2

>  <MolWeight> (1,134)
315.41322

>  <Item Name> (1,134)
Optovin

>  <Catalog Number> (1,134)
S8073

>  <Synonyms> (1,134)
N/A

>  <Target> (1,134)
Calcium Channel

>  <Form> (1,134)
Free Base

>  <URL> (1,134)
http://www.selleckchem.com/products/optovin.html

>  <CAS Number> (1,134)
348575-88-2

$$$$
Amifostine .cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,135)
2297

>  <Formula> (1,135)
C5H21N2O6PS

>  <MolWeight> (1,135)
268.268801

>  <Item Name> (1,135)
Amifostine

>  <Catalog Number> (1,135)
S4298

>  <Synonyms> (1,135)
N/A

>  <Target> (1,135)
Others

>  <Form> (1,135)
Trihydrate

>  <URL> (1,135)
http://www.selleckchem.com/products/amifostine.html

>  <CAS Number> (1,135)
112901-68-5

$$$$
Meclofenamate sodium.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,136)
2298

>  <Formula> (1,136)
C14H10Cl2NNaO2

>  <MolWeight> (1,136)
318.13047

>  <Item Name> (1,136)
Meclofenamate sodium

>  <Catalog Number> (1,136)
S4295

>  <Synonyms> (1,136)
N/A

>  <Target> (1,136)
COX

>  <Form> (1,136)
Sodium Salt

>  <URL> (1,136)
http://www.selleckchem.com/products/meclofenamate-sodium.html

>  <CAS Number> (1,136)
6385-02-0

$$$$
Mefloquine hydrochloride.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,137)
2299

>  <Formula> (1,137)
C17H17ClF6N2O

>  <MolWeight> (1,137)
414.7730992

>  <Item Name> (1,137)
Mefloquine HCl

>  <Catalog Number> (1,137)
S4420

>  <Synonyms> (1,137)
N/A

>  <Target> (1,137)
Antifection

>  <Form> (1,137)
Hydrochloride

>  <URL> (1,137)
http://www.selleckchem.com/products/mefloquine-hcl.html

>  <CAS Number> (1,137)
51773-92-3

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/10101811552D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,138)
2300

>  <Formula> (1,138)
C20H18FN5O2

>  <MolWeight> (1,138)
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>  <Item Name> (1,138)
HSP990 (NVP-HSP990)

>  <Catalog Number> (1,138)
S7097

>  <Synonyms> (1,138)
N/A

>  <Target> (1,138)
HSP (e.g. HSP90)

>  <Form> (1,138)
Free Base

>  <URL> (1,138)
http://www.selleckchem.com/products/hsp990-nvp-hsp990.html

>  <CAS Number> (1,138)
934343-74-5

$$$$
Aliskiren hemifumarate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,139)
2302

>  <Formula> (1,139)
C64H110N6O16

>  <MolWeight> (1,139)
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>  <Item Name> (1,139)
Aliskiren Hemifumarate

>  <Catalog Number> (1,139)
S2199

>  <Synonyms> (1,139)
N/A

>  <Target> (1,139)
RAAS

>  <Form> (1,139)
fumarate salt

>  <URL> (1,139)
http://www.selleckchem.com/products/Aliskiren-hemifumarate.html

>  <CAS Number> (1,139)
173334-58-2

$$$$
Biapenem.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,140)
2304

>  <Formula> (1,140)
C15H18N4O4S

>  <MolWeight> (1,140)
350.39282

>  <Item Name> (1,140)
Biapenem

>  <Catalog Number> (1,140)
S1370

>  <Synonyms> (1,140)
L-627, LJC10627

>  <Target> (1,140)
Antifection

>  <Form> (1,140)
Free Base

>  <URL> (1,140)
http://www.selleckchem.com/products/Biapenem.html

>  <CAS Number> (1,140)
120410-24-4

$$$$
Daptomycin.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,141)
2307

>  <Formula> (1,141)
C72H101N17O26

>  <MolWeight> (1,141)
1620.67064

>  <Item Name> (1,141)
Daptomycin

>  <Catalog Number> (1,141)
S1373

>  <Synonyms> (1,141)
LY146032

>  <Target> (1,141)
Others

>  <Form> (1,141)
Free Base

>  <URL> (1,141)
http://www.selleckchem.com/products/Daptomycin.html

>  <CAS Number> (1,141)
103060-53-3

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/10101811552D

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 16 31  1  6  0  0  0
M  END
>  <Mol_ID> (1,142)
2313

>  <Formula> (1,142)
C22H26ClF2NO4

>  <MolWeight> (1,142)
441.8959464

>  <Item Name> (1,142)
Nebivolol HCl

>  <Catalog Number> (1,142)
S1549

>  <Synonyms> (1,142)
N/A

>  <Target> (1,142)
Adrenergic Receptor

>  <Form> (1,142)
Hydrochloride

>  <URL> (1,142)
http://www.selleckchem.com/products/Nebivolol(Bystolic).html

>  <CAS Number> (1,142)
152520-56-4

$$$$
Ouabain Octahydrate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,143)
2314

>  <Formula> (1,143)
C29H60O20

>  <MolWeight> (1,143)
728.7747

>  <Item Name> (1,143)
Ouabain

>  <Catalog Number> (1,143)
S4016

>  <Synonyms> (1,143)
N/A

>  <Target> (1,143)
Sodium Channel

>  <Form> (1,143)
Free Base

>  <URL> (1,143)
http://www.selleckchem.com/products/ouabain.html

>  <CAS Number> (1,143)
630-60-4

$$$$
Rosuvastatin calcium.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,144)
2316

>  <Formula> (1,144)
C44H54CaF2N6O12S2

>  <MolWeight> (1,144)
1001.1373664

>  <Item Name> (1,144)
Rosuvastatin Calcium

>  <Catalog Number> (1,144)
S2169

>  <Synonyms> (1,144)
ZD4522

>  <Target> (1,144)
HMG-CoA Reductase

>  <Form> (1,144)
Calcium salt

>  <URL> (1,144)
http://www.selleckchem.com/products/Rosuvastatin-calcium(Crestor).html

>  <CAS Number> (1,144)
147098-20-2

$$$$
R-Ruxolitinib.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,145)
2317

>  <Formula> (1,145)
C17H18N6

>  <MolWeight> (1,145)
306.36502

>  <Item Name> (1,145)
Ruxolitinib (INCB018424)

>  <Catalog Number> (1,145)
S1378

>  <Synonyms> (1,145)
N/A

>  <Target> (1,145)
JAK

>  <Form> (1,145)
Free Base

>  <URL> (1,145)
http://www.selleckchem.com/products/INCB18424.html

>  <CAS Number> (1,145)
941678-49-5

$$$$
Teicoplanin.cdx
csChFnd80/10101811552D

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R
A  185
?R:?
M  END
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Teichomycin

>  <Target> (1,146)
Antifection

>  <Form> (1,146)
Free Base

>  <URL> (1,146)
http://www.selleckchem.com/products/Teicoplanin.html

>  <CAS Number> (1,146)
61036-62-2

$$$$
Temsirolimus.cdx
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Temsirolimus (CCI-779, NSC 683864)

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N/A

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mTOR

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Free Base

>  <URL> (1,147)
http://www.selleckchem.com/products/Temsirolimus.html

>  <CAS Number> (1,147)
162635-04-3

$$$$
CAY10683 (Santacruzamate A).cdx
csChFnd80/10101811552D

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csChFnd80/10101811552D

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filgotinib.cdx
csChFnd80/10101811552D

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1206161-97-8

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csChFnd80/10101811552D

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12650-69-0

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Caspase-3 Inhibitor

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Caspase

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Free Base

>  <URL> (1,159)
http://www.selleckchem.com/products/z-devd-fmk.html

>  <CAS Number> (1,159)
210344-95-9

$$$$
PFI-3.cdx
csChFnd80/10101811552D

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N/A

>  <Target> (1,160)
Epigenetic Reader Domain

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Free Base

>  <URL> (1,160)
http://www.selleckchem.com/products/pfi-3.html

$$$$
PF-04449913.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,161)
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>  <Formula> (1,161)
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>  <Item Name> (1,161)
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>  <Target> (1,161)
Hedgehog/Smoothened

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Free Base

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http://www.selleckchem.com/products/glasdegib-pf-04449913.html

>  <CAS Number> (1,161)
1095173-27-5

$$$$
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csChFnd80/10101811552D

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>  <Synonyms> (1,162)
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>  <Target> (1,162)
IAP

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http://www.selleckchem.com/products/lcl161.html

>  <CAS Number> (1,162)
1005342-46-0

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/10101811552D

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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    1.4000    0.0000 N   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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,163)
2337

>  <Formula> (1,163)
C15H17ClIN3O3

>  <MolWeight> (1,163)
449.67125

>  <Item Name> (1,163)
K-Ras(G12C) inhibitor 12

>  <Catalog Number> (1,163)
S7331

>  <Synonyms> (1,163)
N/A

>  <Target> (1,163)
Rho

>  <Form> (1,163)
Free Base

>  <URL> (1,163)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

>  <CAS Number> (1,163)
1469337-95-8

$$$$
Tasquinimod .cdx
csChFnd80/10101811552D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,164)
2338

>  <Formula> (1,164)
C20H17F3N2O4

>  <MolWeight> (1,164)
406.3551896

>  <Item Name> (1,164)
Tasquinimod

>  <Catalog Number> (1,164)
S7617

>  <Synonyms> (1,164)
ABR-215050

>  <Target> (1,164)
HDAC

>  <Form> (1,164)
Free Base

>  <URL> (1,164)
http://www.selleckchem.com/products/tasquinimod.html

>  <CAS Number> (1,164)
254964-60-8

$$$$
AGK 2.cdx
csChFnd80/10101811552D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.8229    2.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4563    3.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5828    1.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3426    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8451    3.6588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    4.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5427    4.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9382    4.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6294    6.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9205    7.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5206    7.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8294    6.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6471    3.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0470    3.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7382    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0297    6.1029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4297    2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6699    3.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1903    4.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1150    5.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6214    5.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3921    6.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5400    4.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8529    8.5627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  3  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
  1 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,165)
2339

>  <Formula> (1,165)
C23H13Cl2N3O2

>  <MolWeight> (1,165)
434.27422

>  <Item Name> (1,165)
AGK2

>  <Catalog Number> (1,165)
S7577

>  <Synonyms> (1,165)
N/A

>  <Target> (1,165)
Sirtuin

>  <Form> (1,165)
Free Base

>  <URL> (1,165)
http://www.selleckchem.com/products/agk2.html

>  <CAS Number> (1,165)
304896-28-4

$$$$
Anacardic Acid.cdx
csChFnd80/10101811552D

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3990    0.7000    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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  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
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,166)
2340

>  <Formula> (1,166)
C22H36O3

>  <MolWeight> (1,166)
348.51944

>  <Item Name> (1,166)
Anacardic Acid

>  <Catalog Number> (1,166)
S7582

>  <Synonyms> (1,166)
6-pentadecylsalicylic Acid

>  <Target> (1,166)
Histone Acetyltransferase

>  <Form> (1,166)
Free Base

>  <URL> (1,166)
http://www.selleckchem.com/products/anacardic-acid.html

>  <CAS Number> (1,166)
16611-84-0

$$$$
GNF5837.cdx
csChFnd80/10101811552D

 39 43  0  0  0  0  0  0  0  0999 V2000
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Trk receptor

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http://www.selleckchem.com/products/gnf-5837.html

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1033769-28-6

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PD128907.cdx
csChFnd80/10101811552D

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PD128907 HCl

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PD128907

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Dopamine Receptor

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Hydrochloride

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http://www.selleckchem.com/products/PD-128907.html

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112960-16-4

$$$$
WS6 .cdx
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1421227-53-3

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110044-82-1

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Splitomicin.cdx
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Histone Methyltransferase

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1271738-59-0

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1622921-15-6

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   13.3680    5.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0680    6.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3680    7.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9680    7.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6410    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    8.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8282    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  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
  8 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  8  1  0  0  0  0
 25 26  1  0  0  0  0
 19 27  1  0  0  0  0
 13 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,180)
2357

>  <Formula> (1,180)
C22H18FN7

>  <MolWeight> (1,180)
399.4236232

>  <Item Name> (1,180)
EW-7197

>  <Catalog Number> (1,180)
S7530

>  <Synonyms> (1,180)
N/A

>  <Target> (1,180)
TGF-beta/Smad

>  <Form> (1,180)
Free Base

>  <URL> (1,180)
http://www.selleckchem.com/products/ew-7197.html

>  <CAS Number> (1,180)
1352608-82-2

$$$$
Heparin sodium.cdx
csChFnd80/10101811552D

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    2.6214    4.7022    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3214    3.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6757    3.8446    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0218    3.4898    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3219    4.7022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9675    4.3476    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2691    4.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5691    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675    5.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675    6.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675    8.3600    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675    9.7600    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.6675    8.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8675    8.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0380    2.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0481    1.5024    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    7.3741    3.8522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0741    5.0646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7741    3.8522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1284    4.2070    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4745    3.8522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7746    5.0646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4202    4.7099    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0741    2.6397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4908    2.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7202    5.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7202    7.3223    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.0725    6.2847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8268    4.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0392    4.9145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7392    3.7021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0936    4.0569    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.4397    3.7021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7398    4.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3853    4.5598    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0392    2.4896    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0292    1.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0493    1.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6869    2.8520    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.3954    5.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3954    6.9498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0431    7.3121    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   16.4559    2.7046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8183    1.3523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.8317    0.3658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1659    0.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1806    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.7919    4.0644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7819    5.0544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.4819    3.8419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8362    4.1968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.1823    3.8419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.4824    5.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1280    4.6997    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.2695    3.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1280    6.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4803    6.4620    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   20.0212    6.9490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8262    3.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4638    1.8545    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   23.4503    0.8680    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   21.1162    1.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8114    2.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3948    4.5419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6072    5.2419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.3072    4.0295    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.6615    4.3843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0076    4.0295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.3077    5.2419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9533    4.8872    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   25.0948    3.3295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0239    3.0320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6615    1.6797    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   26.3139    1.3186    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   28.6480    0.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6750    2.6662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2533    6.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2533    7.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2633    8.4896    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   24.2734    9.4796    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   26.4758    9.1896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0509    7.7896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3599    4.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5227    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   30.9167    4.2102    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  1  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  6  0  0  0
  4 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  1  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 21 29  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  1  1  0  0  0
 32 31  1  1  0  0  0
 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 35 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 32 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  2  0  0  0  0
 44 47  1  0  0  0  0
 33 48  1  6  0  0  0
 48 49  1  0  0  0  0
 49 50  1  1  0  0  0
 50 51  1  1  0  0  0
 52 51  1  1  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 49  1  0  0  0  0
 50 55  1  0  0  0  0
 54 56  1  0  0  0  0
 56 57  1  0  0  0  0
 56 58  2  0  0  0  0
 51 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 60 62  2  0  0  0  0
 60 63  2  0  0  0  0
 52 64  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  1  1  0  0  0
 67 66  1  1  0  0  0
 68 67  1  1  0  0  0
 68 69  1  0  0  0  0
 69 70  1  0  0  0  0
 70 65  1  0  0  0  0
 66 71  1  0  0  0  0
 67 72  1  0  0  0  0
 72 73  1  0  0  0  0
 73 74  1  0  0  0  0
 73 75  2  0  0  0  0
 73 76  2  0  0  0  0
 70 77  1  0  0  0  0
 77 78  1  0  0  0  0
 78 79  1  0  0  0  0
 79 80  1  0  0  0  0
 79 81  2  0  0  0  0
 79 82  2  0  0  0  0
 68 83  1  0  0  0  0
A   16
R
A   42
R
A   84
*
A   85
*
M  END
>  <Mol_ID> (1,181)
2359

>  <Formula> (1,181)
C33H47N3O39R4S6-8

>  <MolWeight> (1,181)
1302.11298

>  <Item Name> (1,181)
Heparin sodium

>  <Catalog Number> (1,181)
S1346

>  <Synonyms> (1,181)
N/A

>  <Target> (1,181)
Others

>  <Form> (1,181)
Sodium salt

>  <URL> (1,181)
http://www.selleckchem.com/products/Heparin-sodium.html

>  <CAS Number> (1,181)
9041-08-1

$$$$
Nedaplatin.cdx
csChFnd80/10101811552D
CFW_RXN
  8  6  0  0  0  0  0  0  0  0999 V2000
    3.1062    1.0404    0.0000 Pt  0  0  0  0  0  0  0  5  2  0  0  0
    2.4062    2.2528    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
    1.0368    1.9618    0.0000 C   0  0  0  0  0  0  0  5  2  0  0  0
    0.8905    0.5694    0.0000 C   0  0  0  0  0  0  0  5  2  0  0  0
    2.1694    0.0000    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
    0.0000    2.8953    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
    6.5243    3.4968    0.0000 R   0  0  0  0  0  0  0  1  1  1  0  0
    6.5243    0.0697    0.0000 R   0  0  0  0  0  0  0  2  3  1  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  2  0  0  0  0
A    7
;H3N
A    8
;H3N
M  END
>  <Mol_ID> (1,182)
2360

>  <Formula> (1,182)
R + C2H2O3Pt  -> R  [+ C2H2O3Pt]

>  <MolWeight> (1,182)
269.11348

>  <Item Name> (1,182)
Nedaplatin

>  <Catalog Number> (1,182)
S1826

>  <Synonyms> (1,182)
N/A

>  <Target> (1,182)
DNA/RNA Synthesis

>  <Form> (1,182)
Free Base

>  <URL> (1,182)
http://www.selleckchem.com/products/nedaplatin-aqupla.html

>  <CAS Number> (1,182)
95734-82-0

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/10101811552D

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    4.6992   12.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3298   13.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3157    6.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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PLK

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Free Base

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http://www.selleckchem.com/products/ro3280.html

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1062243-51-9

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csChFnd80/10101811552D

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C17H18ClN3O2

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PJ34 hcl

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S7300

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N/A

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PARP

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Hydrochloride

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http://www.selleckchem.com/products/pj34-hcl.html

>  <CAS Number> (1,188)
344458-15-7

$$$$
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csChFnd80/10101811552D

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Bay 11-7083

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I¦ÊB/IKK

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Free Base

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http://www.selleckchem.com/products/bay-11-7085.html

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196309-76-9

$$$$
JNK Inhibitor IX.cdx
csChFnd80/10101811552D

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>  <Formula> (1,190)
C20H16N2OS

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>  <Item Name> (1,190)
JNK inhibitor IX

>  <Catalog Number> (1,190)
S7508

>  <Synonyms> (1,190)
TCS JNK 5a

>  <Target> (1,190)
JNK

>  <Form> (1,190)
Free Base

>  <URL> (1,190)
http://www.selleckchem.com/products/jnk-inhibitor-ix.html

>  <CAS Number> (1,190)
312917-14-9

$$$$
Blasticidin S hydrochloride.cdx
csChFnd80/10101811552D

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>  <Formula> (1,191)
C17H27ClN8O5

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Blasticidin S HCl

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>  <Synonyms> (1,191)
Blasticidine S HCl

>  <Target> (1,191)
DNA/RNA Synthesis

>  <Form> (1,191)
hydrochloride salt

>  <URL> (1,191)
http://www.selleckchem.com/products/blasticidin-s-hcl.html

>  <CAS Number> (1,191)
3513-03-9

$$$$
levobupivacaine hydrochloride.cdx
csChFnd80/10101811552D

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$$$$
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1421227-52-2

$$$$
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521937-07-5

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1271738-62-5

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74103-07-4

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M  END
>  <Mol_ID> (1,207)
2395

>  <Formula> (1,207)
C25H23ClN2O3

>  <MolWeight> (1,207)
434.91472

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GSK1324726A (I-BET726)

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S7620

>  <Synonyms> (1,207)
N/A

>  <Target> (1,207)
Epigenetic Reader Domain

>  <Form> (1,207)
Free Base

>  <URL> (1,207)
http://www.selleckchem.com/products/gsk1324726a-i-bet726.html

>  <CAS Number> (1,207)
1300031-52-0

$$$$
Isepamicin sulfate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,208)
2397

>  <Formula> (1,208)
C22H45N5O16S

>  <MolWeight> (1,208)
667.6816

>  <Item Name> (1,208)
Isepamicin Sulphate

>  <Catalog Number> (1,208)
S4271

>  <Synonyms> (1,208)
Isepamicine (Isepamycin, sch21420) Sulphate

>  <Target> (1,208)
Antifection

>  <Form> (1,208)
Sulphate

>  <URL> (1,208)
http://www.selleckchem.com/products/isepamicin-sulphate.html

>  <CAS Number> (1,208)
67814-76-0

$$$$
EI1.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,209)
2398

>  <Formula> (1,209)
C23H26N4O2

>  <MolWeight> (1,209)
390.47814

>  <Item Name> (1,209)
EI1

>  <Catalog Number> (1,209)
S7611

>  <Synonyms> (1,209)
N/A

>  <Target> (1,209)
Histone Methyltransferase

>  <Form> (1,209)
Free Base

>  <URL> (1,209)
http://www.selleckchem.com/products/ei1.html

>  <CAS Number> (1,209)
1418308-27-6

$$$$
ML141.cdx
csChFnd80/10101811552D

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Rho

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71203-35-5

$$$$
BRD4770.cdx
csChFnd80/10101811552D

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Histone Methyltransferase

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Free Base

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http://www.selleckchem.com/products/brd4770.html

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1374601-40-7

$$$$
PX-478 2HCl.cdx
csChFnd80/10101811552D

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C13H20Cl4N2O3

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PX-478 2HCl

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N/A

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HIF

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Dihydrochlorid

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http://www.selleckchem.com/products/px-478-2hcl.html

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685898-44-6

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/10101811552D

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IGF-1R

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>  <URL> (1,213)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

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477-47-4

$$$$
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DNA/RNA Synthesis

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http://www.selleckchem.com/products/yk-4-279.html

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1037184-44-3

$$$$
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1061353-68-1

$$$$
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N/A

>  <Target> (1,240)
NADPH oxidase

>  <Form> (1,240)
Free Base

>  <URL> (1,240)
http://www.selleckchem.com/products/gkt137831.html

>  <CAS Number> (1,240)
1218942-37-0

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/10101811552D

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>  <Formula> (1,241)
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SBE 13 HCl

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S7720

>  <Synonyms> (1,241)
N/A

>  <Target> (1,241)
PLK

>  <Form> (1,241)
Hydrochloride

>  <URL> (1,241)
http://www.selleckchem.com/products/sbe-13-hcl.html

>  <CAS Number> (1,241)
1052532-15-6

$$$$
Bikinin.cdx
csChFnd80/10101811552D

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Bikinin

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GSK-3

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Free Base

>  <URL> (1,242)
http://www.selleckchem.com/products/bikinin.html

>  <CAS Number> (1,242)
188011-69-0

$$$$
Salirasib.cdx
csChFnd80/10101811552D

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>  <Item Name> (1,243)
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>  <Synonyms> (1,243)
N/A

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Rho

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Free Base

>  <URL> (1,243)
http://www.selleckchem.com/products/salirasib.html

>  <CAS Number> (1,243)
162520-00-5

$$$$
SD208.cdx
csChFnd80/10101811552D

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$$$$
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148408-66-6

$$$$
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Pemetrexed Disodium Hydrate

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LY-231514 Disodium Hydrate

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DHFR

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Disodium Hydrate

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http://www.selleckchem.com/products/pemetrexed-disodium-hydrate.html

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357166-30-4

$$$$
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Histone Methyltransferase

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Free Base

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http://www.selleckchem.com/products/epz015666.html

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1616391-65-1

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Sunitinib

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SU11248

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PDGFR

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Free Base

>  <URL> (1,266)
http://www.selleckchem.com/products/sunitinib.html

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557795-19-4

$$$$
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csChFnd80/10101811552D

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phosphatase

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194423-06-8

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$$$$
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A   20
R
A   48
R=
A   49
or
A   50
or
M  CFW   2 BOND_GSTEREO 5
M  CFW   8 BOND_GSTEREO 5
M  CFW  14 BOND_GSTEREO 5
M  END
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>  <Formula> (1,299)
C27H64N7O11R4S

>  <MolWeight> (1,299)
694.90236

>  <Item Name> (1,299)
Gentamicin Sulfate

>  <Catalog Number> (1,299)
S4030

>  <Synonyms> (1,299)
NSC-82261, SCH9724

>  <Target> (1,299)
Antifection

>  <Form> (1,299)
Sulfate

>  <URL> (1,299)
http://www.selleckchem.com/products/gentamicin-sulfate.html

>  <CAS Number> (1,299)
1405-41-0

$$$$
AT7519 HCl.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,300)
2503

>  <Formula> (1,300)
C16H18Cl3N5O2

>  <MolWeight> (1,300)
418.70542

>  <Item Name> (1,300)
AT7519 HCl

>  <Catalog Number> (1,300)
S7808

>  <Synonyms> (1,300)
N/A

>  <Target> (1,300)
CDK

>  <Form> (1,300)
Hydrochloride

>  <URL> (1,300)
http://www.selleckchem.com/products/at7519-hcl.html

>  <CAS Number> (1,300)
902135-91-5

$$$$
VER155008.cdx
csChFnd80/10101811552D

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2504

>  <Formula> (1,301)
C25H23Cl2N7O4

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556.40062

>  <Item Name> (1,301)
VER155008

>  <Catalog Number> (1,301)
S7751

>  <Synonyms> (1,301)
C07

>  <Target> (1,301)
HSP (e.g. HSP90)

>  <Form> (1,301)
Free Base

>  <URL> (1,301)
http://www.selleckchem.com/products/ver155008.html

>  <CAS Number> (1,301)
1134156-31-2

$$$$
ARRY-614.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,302)
2505

>  <Formula> (1,302)
C31H33FN6O3

>  <MolWeight> (1,302)
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>  <Item Name> (1,302)
Pexmetinib (ARRY-614)

>  <Catalog Number> (1,302)
S7799

>  <Synonyms> (1,302)
N/A

>  <Target> (1,302)
p38 MAPK

>  <Form> (1,302)
Free Base

>  <URL> (1,302)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

>  <CAS Number> (1,302)
945614-12-0

$$$$
LY3009120.cdx
csChFnd80/10101811552D

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>  <Target> (1,307)
CSF-1R

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Free Base

>  <URL> (1,307)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

>  <CAS Number> (1,307)
1029044-16-3

$$$$
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csChFnd80/10101811552D

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>  <Formula> (1,308)
C21H21F3IN3O2

>  <MolWeight> (1,308)
531.3100196

>  <Item Name> (1,308)
Cobimetinib (GDC-0973, RG7420)

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S8041

>  <Synonyms> (1,308)
XL518

>  <Target> (1,308)
MEK

>  <Form> (1,308)
Free Base

>  <URL> (1,308)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

>  <CAS Number> (1,308)
934660-93-2

$$$$
BVD-523.cdx
csChFnd80/10101811552D

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>  <Formula> (1,309)
C21H22Cl2N4O2

>  <MolWeight> (1,309)
433.33098

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Ulixertinib (BVD-523, VRT752271)

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S7854

>  <Synonyms> (1,309)
N/A

>  <Target> (1,309)
ERK

>  <Form> (1,309)
Free Base

>  <URL> (1,309)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

>  <CAS Number> (1,309)
869886-67-9

$$$$
Tenofovir alafenamide.cdx
csChFnd80/10101811552D

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2514

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>  <MolWeight> (1,310)
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Tenofovir Alafenamide (GS-7340)

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S7856

>  <Synonyms> (1,310)
N/A

>  <Target> (1,310)
Reverse Transcriptase

>  <Form> (1,310)
Free Base

>  <URL> (1,310)
http://www.selleckchem.com/products/tenofovir-alafenamide-gs-7340.html

>  <CAS Number> (1,310)
379270-37-8

$$$$
BPTES.cdx
csChFnd80/10101811552D

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BPTES

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N/A

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Glutaminase

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Free Base

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

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314045-39-1

$$$$
Dorsomorphin.cdx
csChFnd80/10101811552D

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Compound C, BML-275

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AMPK

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Free Base

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

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866405-64-3

$$$$
E3330.cdx
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E3330

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N/A

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DNA/RNA Synthesis

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http://www.selleckchem.com/products/e3330.html

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136164-66-4

$$$$
CPI-169.cdx
csChFnd80/10101811552D

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Histone Methyltransferase

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Free Base

>  <URL> (1,314)
http://www.selleckchem.com/products/cpi-169.html

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1450655-76-1

$$$$
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1234480-84-2

$$$$
LM-3632.cdx
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>  <URL> (1,321)
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$$$$
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M  END
>  <Mol_ID> (1,322)
2530

>  <Formula> (1,322)
C31H23F2N5O3

>  <MolWeight> (1,322)
551.5428264

>  <Item Name> (1,322)
NPS-1034

>  <Catalog Number> (1,322)
S7669

>  <Synonyms> (1,322)
N/A

>  <Target> (1,322)
c-Met

>  <Form> (1,322)
Free Base

>  <URL> (1,322)
http://www.selleckchem.com/products/nps-1034.html

>  <CAS Number> (1,322)
1221713-92-3

$$$$
KN-93 H3PO4.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,323)
2532

>  <Formula> (1,323)
C26H32ClN2O8PS

>  <MolWeight> (1,323)
599.032641

>  <Item Name> (1,323)
KN-93 Phosphate

>  <Catalog Number> (1,323)
S7423

>  <Synonyms> (1,323)
N/A

>  <Target> (1,323)
CaMK

>  <Form> (1,323)
Free Base

>  <URL> (1,323)
http://www.selleckchem.com/products/kn-93-phosphate.html

>  <CAS Number> (1,323)
1188890-41-6

$$$$
S2597-Oseltamivir phosphate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,324)
2533

>  <Formula> (1,324)
C16H31N2O8P

>  <MolWeight> (1,324)
410.399701

>  <Item Name> (1,324)
Oseltamivir Phosphate

>  <Catalog Number> (1,324)
S2597

>  <Synonyms> (1,324)
N/A

>  <Target> (1,324)
Antifection

>  <Form> (1,324)
Phosphate salt

>  <URL> (1,324)
http://www.selleckchem.com/products/oseltamivir-phosphate-Tamiflu.html

>  <CAS Number> (1,324)
204255-11-8

$$$$
S4002.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,325)
2534

>  <Formula> (1,325)
C16H20F6N5O6P

>  <MolWeight> (1,325)
523.3240802

>  <Item Name> (1,325)
Sitagliptin phosphate monohydrate

>  <Catalog Number> (1,325)
S4002

>  <Synonyms> (1,325)
MK-0431

>  <Target> (1,325)
DPP-4

>  <Form> (1,325)
phosphate &monohydrate

>  <URL> (1,325)
http://www.selleckchem.com/products/Sitagliptin.html

>  <CAS Number> (1,325)
654671-77-9

$$$$
S4117.cdx
csChFnd80/10101811552D

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>  <Formula> (1,326)
C5H15N3O8P2

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>  <Item Name> (1,326)
Histamine Phosphate

>  <Catalog Number> (1,326)
S4117

>  <Synonyms> (1,326)
N/A

>  <Target> (1,326)
Histamine Receptor

>  <Form> (1,326)
Free Base

>  <URL> (1,326)
http://www.selleckchem.com/products/histamine-phosphate.html

>  <CAS Number> (1,326)
51-74-1

$$$$
Dyngo-4a.cdx
csChFnd80/10101811552D

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>  <Formula> (1,327)
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>  <Item Name> (1,327)
Dyngo-4a

>  <Catalog Number> (1,327)
S7163

>  <Synonyms> (1,327)
N/A

>  <Target> (1,327)
Dynamin

>  <Form> (1,327)
Free Base

>  <URL> (1,327)
http://www.selleckchem.com/products/dyngo-4a.html

>  <CAS Number> (1,327)
1256493-34-1

$$$$
AMI-1.cdx
csChFnd80/10101811552D

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>  <Formula> (1,328)
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>  <MolWeight> (1,328)
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>  <Item Name> (1,328)
AMI-1

>  <Catalog Number> (1,328)
S7884

>  <Synonyms> (1,328)
N/A

>  <Target> (1,328)
Histone Methyltransferase

>  <Form> (1,328)
disodium salt

>  <URL> (1,328)
http://www.selleckchem.com/products/ami-1.html

>  <CAS Number> (1,328)
20324-87-2

$$$$
GDC0623.cdx
csChFnd80/10101811552D

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>  <Formula> (1,329)
C16H14FIN4O3

>  <MolWeight> (1,329)
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>  <Item Name> (1,329)
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>  <Catalog Number> (1,329)
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>  <Synonyms> (1,329)
G-868

>  <Target> (1,329)
MEK

>  <Form> (1,329)
Free Base

>  <URL> (1,329)
http://www.selleckchem.com/products/gdc-0623.html

>  <CAS Number> (1,329)
1168091-68-6

$$$$
G007-LK.cdx
csChFnd80/10101811552D

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1474034-05-3

$$$$
Epacadostat (INCB024360).cdx
csChFnd80/10101811552D

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IDO

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Free Base

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http://www.selleckchem.com/products/epacadostat-incb024360.html

>  <CAS Number> (1,335)
1204669-58-8

$$$$
BLU9931.cdx
csChFnd80/10101811552D

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FGFR

>  <Form> (1,336)
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>  <URL> (1,336)
http://www.selleckchem.com/products/blu9931.html

>  <CAS Number> (1,336)
1538604-68-0

$$$$
TP-0903.cdx
csChFnd80/10101811552D

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Histone Methyltransferase

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1802175-06-9

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717824-30-1

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1290543-63-3

$$$$
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1675203-84-5

$$$$
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393105-53-8

$$$$
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$$$$
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1108743-60-7

$$$$
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6112-76-1

$$$$
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1431326-61-2

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$$$$
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HIF

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http://www.selleckchem.com/products/fg-2216.html

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223387-75-5

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csChFnd80/10101811552D

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Bcr-Abl

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926037-48-1

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/10101811552D

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887375-67-9

$$$$
PX-12.cdx
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141400-58-0

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N/A

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Microtubule Associated

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Free Base

>  <URL> (1,414)
http://www.selleckchem.com/products/cucurbitacin-b.html

>  <CAS Number> (1,414)
6199-67-3

$$$$
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csChFnd80/10101811552D

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>  <Formula> (1,415)
C21H28FN3O7

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>  <Item Name> (1,415)
Z-VAD(OH)-FMK

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>  <Synonyms> (1,415)
N/A

>  <Target> (1,415)
Caspase

>  <Form> (1,415)
Free Base

>  <URL> (1,415)
http://www.selleckchem.com/products/z-vad(oh)-fmk.html

>  <CAS Number> (1,415)
161401-82-7

$$$$
GlyH-101.cdx
csChFnd80/10101811552D

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>  <Synonyms> (1,416)
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CFTR

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Free Base

>  <URL> (1,416)
http://www.selleckchem.com/products/glyh-101.html

>  <CAS Number> (1,416)
328541-79-3

$$$$
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csChFnd80/10101811552D

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C13H14N8O2

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>  <Item Name> (1,417)
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>  <Synonyms> (1,417)
N/A

>  <Target> (1,417)
HIF

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Free Base

>  <URL> (1,417)
http://www.selleckchem.com/products/molidustat-(bay85-3934).html

>  <CAS Number> (1,417)
1154028-82-6

$$$$
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csChFnd80/10101811552D

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>  <Formula> (1,427)
C54H74F2N6O10

>  <MolWeight> (1,427)
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>  <Item Name> (1,427)
Pimavanserin

>  <Catalog Number> (1,427)
S8183

>  <Synonyms> (1,427)
ACP-103

>  <Target> (1,427)
5-HT Receptor

>  <Form> (1,427)
Tartrate

>  <URL> (1,427)
http://www.selleckchem.com/products/pimavanserin.html

>  <CAS Number> (1,427)
706782-28-7

$$$$
BEC Hydrochloride.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,428)
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C5H13BClNO4S

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BEC Hydrochloride

>  <Catalog Number> (1,428)
S7929

>  <Synonyms> (1,428)
N/A

>  <Target> (1,428)
Others

>  <Form> (1,428)
hydrochloride salt

>  <URL> (1,428)
http://www.selleckchem.com/products/bec-hydrochloride.html

>  <CAS Number> (1,428)
222638-67-7

$$$$
AZD3965.cdx
csChFnd80/10101811552D

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2680

>  <Formula> (1,429)
C21H24F3N5O5S

>  <MolWeight> (1,429)
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>  <Item Name> (1,429)
AZD3965

>  <Catalog Number> (1,429)
S7339

>  <Synonyms> (1,429)
N/A

>  <Target> (1,429)
Others

>  <Form> (1,429)
Free Base

>  <URL> (1,429)
http://www.selleckchem.com/products/azd3965.html

>  <CAS Number> (1,429)
1448671-31-5

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/10101811552D

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PD-1/PD-L1

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Free Base

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http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-1.html

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1675201-83-8

$$$$
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S6 Kinase

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Free Base

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http://www.selleckchem.com/products/ljh685.html

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1627710-50-2

$$$$
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GSK795

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Akt

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>  <URL> (1,432)
http://www.selleckchem.com/products/gsk2141795.html

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1047634-65-0

$$$$
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N/A

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Wnt/beta-catenin

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>  <URL> (1,433)
http://www.selleckchem.com/products/wnt-agonist-1.html

>  <CAS Number> (1,433)
853220-52-7(free-base)

$$$$
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>  <Mol_ID> (1,446)
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>  <Formula> (1,446)
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>  <Item Name> (1,446)
Acalabrutinib (ACP-196)

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S8116

>  <Synonyms> (1,446)
N/A

>  <Target> (1,446)
BTK

>  <Form> (1,446)
Free Base

>  <URL> (1,446)
http://www.selleckchem.com/products/acalabrutinib.html

>  <CAS Number> (1,446)
1420477-60-6

$$$$
LTX-315.cdx
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>  <Mol_ID> (1,447)
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>  <Formula> (1,447)
C78H106N18O9

>  <MolWeight> (1,447)
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>  <Item Name> (1,447)
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>  <Catalog Number> (1,447)
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>  <Synonyms> (1,447)
Oncopore

>  <Target> (1,447)
Others

>  <Form> (1,447)
Free Base

>  <URL> (1,447)
http://www.selleckchem.com/products/ltx-315.html

>  <CAS Number> (1,447)
1345407-05-7

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/10101811552D

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>  <Synonyms> (1,448)
EPZ015866, GSK3203591

>  <Target> (1,448)
Histone Methyltransferase

>  <Form> (1,448)
Free Base

>  <URL> (1,448)
http://www.selleckchem.com/products/gsk591-epz015866-gsk3203591.html

>  <CAS Number> (1,448)
1616391-87-7

$$$$
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>  <Formula> (1,449)
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>  <Synonyms> (1,449)
N/A

>  <Target> (1,449)
Dehydrogenase

>  <Form> (1,449)
Free Base

>  <URL> (1,449)
http://www.selleckchem.com/products/ag-120-Ivosidenib.html

>  <CAS Number> (1,449)
1448347-49-6

$$$$
Bitopertin (RG1678; RO-4917838).cdx
csChFnd80/10101811552D

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>  <Formula> (1,450)
C21H20F7N3O4S

>  <MolWeight> (1,450)
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>  <Item Name> (1,450)
Bitopertin (RG1678,RO-4917838)

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>  <Synonyms> (1,450)
RG1678, RO-4917838

>  <Target> (1,450)
GlyT

>  <Form> (1,450)
Free Base

>  <URL> (1,450)
http://www.selleckchem.com/products/bitopertin-rg1678-ro-4917838.html

>  <CAS Number> (1,450)
845614-11-1

$$$$
Halofuginone.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,451)
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>  <Formula> (1,451)
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>  <Catalog Number> (1,451)
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>  <Synonyms> (1,451)
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>  <Target> (1,451)
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>  <Form> (1,451)
Free Base

>  <URL> (1,451)
http://www.selleckchem.com/products/halofuginone.html

>  <CAS Number> (1,451)
55837-20-2

$$$$
AS1842856.cdx
csChFnd80/10101811552D

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1219810-16-8

$$$$
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csChFnd80/10101811552D

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1550008-55-3

$$$$
PD0166285.cdx
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csChFnd80/10101811552D

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AMPK

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Free Base

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http://www.selleckchem.com/products/etc-1002.html

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738606-46-7

$$$$
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csChFnd80/10101811552D

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942206-85-1

$$$$
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csChFnd80/10101811552D

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Diamox

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Carbonic Anhydrase

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59-66-5

$$$$
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csChFnd80/10101811552D

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75-80-9

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M  END
>  <Mol_ID> (1,470)
2725

>  <Formula> (1,470)
C21H30O3

>  <MolWeight> (1,470)
330.4611

>  <Item Name> (1,470)
17-Hydroxyprogesterone

>  <Catalog Number> (1,470)
S4507

>  <Synonyms> (1,470)
N/A

>  <Target> (1,470)
Estrogen/progestogen Receptor

>  <Form> (1,470)
Free Base

>  <URL> (1,470)
http://www.selleckchem.com/products/17-hydroxyprogesterone.html

>  <CAS Number> (1,470)
68-96-2

$$$$
YAP-TEAD Inhibitor 1 (Peptide 17).cdx
csChFnd80/10101811552D

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YAP-TEAD Inhibitor 1 (Peptide 17)

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N/A

>  <Target> (1,471)
Others

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Free Base

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http://www.selleckchem.com/products/yap-tead-inhibitor-1-peptide-17.html

$$$$
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csChFnd80/10101811552D

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Pluripotin (SC1)

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S7752

>  <Synonyms> (1,472)
N/A

>  <Target> (1,472)
ERK

>  <Form> (1,472)
Free Base

>  <URL> (1,472)
http://www.selleckchem.com/products/pluripotin-sc1.html

>  <CAS Number> (1,472)
839707-37-8

$$$$
AG-221 (Enasidenib).cdx
csChFnd80/10101811552D

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Dehydrogenase

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Free Base

>  <URL> (1,473)
http://www.selleckchem.com/products/ag-221-enasidenib.html

>  <CAS Number> (1,473)
1446502-11-9

$$$$
PRI-724.cdx
csChFnd80/10101811552D

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N/A

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Wnt/beta-catenin

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Free Base

>  <URL> (1,474)
http://www.selleckchem.com/products/pri-724.html

>  <CAS Number> (1,474)
847591-62-2

$$$$
4-Hydroxytamoxifen (4-HT, Afimoxifene).cdx
csChFnd80/10101811552D

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M  END
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S7827

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Afimoxifene

>  <Target> (1,475)
Estrogen/progestogen Receptor

>  <Form> (1,475)
Free Base

>  <URL> (1,475)
http://www.selleckchem.com/products/4-hydroxytamoxifen-4-ht-afimoxifene.html

>  <CAS Number> (1,475)
68392-35-8

$$$$
PLX7904.cdx
csChFnd80/10101811552D

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M  END
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2732

>  <Formula> (1,476)
C24H22F2N6O3S

>  <MolWeight> (1,476)
512.5316864

>  <Item Name> (1,476)
PLX7904

>  <Catalog Number> (1,476)
S7964

>  <Synonyms> (1,476)
PB04

>  <Target> (1,476)
Raf

>  <Form> (1,476)
Free Base

>  <URL> (1,476)
http://www.selleckchem.com/products/plx7904.html

>  <CAS Number> (1,476)
1393465-84-3

$$$$
Chloroxylenol.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,477)
2733

>  <Formula> (1,477)
C8H9ClO

>  <MolWeight> (1,477)
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>  <Item Name> (1,477)
Chloroxylenol

>  <Catalog Number> (1,477)
S4518

>  <Synonyms> (1,477)
N/A

>  <Target> (1,477)
Antifection

>  <Form> (1,477)
Free Base

>  <URL> (1,477)
http://www.selleckchem.com/products/chloroxylenol.html

>  <CAS Number> (1,477)
88-04-0

$$$$
Cefotaxime sodium.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,478)
2734

>  <Formula> (1,478)
C16H16N5NaO7S2

>  <MolWeight> (1,478)
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>  <Item Name> (1,478)
Cefotaxime sodium

>  <Catalog Number> (1,478)
S4517

>  <Synonyms> (1,478)
N/A

>  <Target> (1,478)
Antifection

>  <Form> (1,478)
Sodium Salt

>  <URL> (1,478)
http://www.selleckchem.com/products/cefotaxime-sodium.html

>  <CAS Number> (1,478)
64485-93-4

$$$$
6-Benzylaminopurine.cdx
csChFnd80/10101811552D

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>  <Formula> (1,479)
C12H11N5

>  <MolWeight> (1,479)
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>  <Item Name> (1,479)
6-Benzylaminopurine

>  <Catalog Number> (1,479)
S4511

>  <Synonyms> (1,479)
N/A

>  <Target> (1,479)
Others

>  <Form> (1,479)
Free Base

>  <URL> (1,479)
http://www.selleckchem.com/products/6-benzylaminopurine.html

>  <CAS Number> (1,479)
1214-39-7

$$$$
4-Aminobenzoic acid.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,480)
2736

>  <Formula> (1,480)
C7H7NO2

>  <MolWeight> (1,480)
137.13598

>  <Item Name> (1,480)
4-Aminobenzoic acid

>  <Catalog Number> (1,480)
S4510

>  <Synonyms> (1,480)
para-Aminobenzoic acid

>  <Target> (1,480)
Others

>  <Form> (1,480)
Free Base

>  <URL> (1,480)
http://www.selleckchem.com/products/4-aminobenzoic-acid.html

>  <CAS Number> (1,480)
150-13-0

$$$$
Fenofibric acid.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,481)
2737

>  <Formula> (1,481)
C17H15ClO4

>  <MolWeight> (1,481)
318.7516

>  <Item Name> (1,481)
Fenofibric acid

>  <Catalog Number> (1,481)
S4527

>  <Synonyms> (1,481)
NSC 281318, Trilipix, FNF acid

>  <Form> (1,481)
Free Base

>  <URL> (1,481)
http://www.selleckchem.com/products/fenofibric-acid.html

>  <CAS Number> (1,481)
42017-89-0

$$$$
Fenbufen.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,482)
2738

>  <Formula> (1,482)
C16H14O3

>  <MolWeight> (1,482)
254.28056

>  <Item Name> (1,482)
Fenbufen

>  <Catalog Number> (1,482)
S4526

>  <Synonyms> (1,482)
Lederfen, CL-82204

>  <Target> (1,482)
COX

>  <Form> (1,482)
Free Base

>  <URL> (1,482)
http://www.selleckchem.com/products/fenbufen.html

>  <CAS Number> (1,482)
36330-85-5

$$$$
C-DIM12.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,483)
2739

>  <Formula> (1,483)
C23H17ClN2

>  <MolWeight> (1,483)
356.84748

>  <Item Name> (1,483)
C-DIM12

>  <Catalog Number> (1,483)
S8097

>  <Synonyms> (1,483)
N/A

>  <Target> (1,483)
Immunology & Inflammation

>  <Form> (1,483)
Free Base

>  <URL> (1,483)
http://www.selleckchem.com/products/c-dim12.html

>  <CAS Number> (1,483)
178946-89-9

$$$$
Dihydrostreptomycin sulfate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,484)
2740

>  <Formula> (1,484)
C42H88N14O36S3

>  <MolWeight> (1,484)
1461.41532

>  <Item Name> (1,484)
Dihydrostreptomycin sulfate

>  <Catalog Number> (1,484)
S4523

>  <Synonyms> (1,484)
N/A

>  <Target> (1,484)
Antifection

>  <Form> (1,484)
1.5Sulfate

>  <URL> (1,484)
http://www.selleckchem.com/products/dihydrostreptomycin-sulfate.html

>  <CAS Number> (1,484)
5490-27-7

$$$$
Esomeprazole sodium.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,485)
2744

>  <Formula> (1,485)
C17H18N3NaO3S

>  <MolWeight> (1,485)
367.39789

>  <Item Name> (1,485)
Esomeprazole sodium

>  <Catalog Number> (1,485)
S2233

>  <Synonyms> (1,485)
N/A

>  <Target> (1,485)
ATPase

>  <Form> (1,485)
Sodium salt

>  <URL> (1,485)
http://www.selleckchem.com/products/esomeprazole-sodium.html

>  <CAS Number> (1,485)
161796-78-7

$$$$
SCR7.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,486)
2746

>  <Formula> (1,486)
C18H12N4OS

>  <MolWeight> (1,486)
332.37908

>  <Item Name> (1,486)
SCR7

>  <Catalog Number> (1,486)
S7742

>  <Synonyms> (1,486)
N/A

>  <Target> (1,486)
DNA/RNA Synthesis

>  <Form> (1,486)
Free Base

>  <URL> (1,486)
http://www.selleckchem.com/products/scr7.html

>  <CAS Number> (1,486)
14892-97-8

$$$$
MRT68921.cdx
csChFnd80/10101811552D

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A   35
xHCl
M  END
>  <Mol_ID> (1,487)
2747

>  <Formula> (1,487)
C26H36N6O2R

>  <MolWeight> (1,487)
464.60304

>  <Item Name> (1,487)
MRT67307 HCl

>  <Catalog Number> (1,487)
S7948

>  <Synonyms> (1,487)
N/A

>  <Target> (1,487)
I¦ÊB/IKK

>  <Form> (1,487)
hydrochloride

>  <URL> (1,487)
http://www.selleckchem.com/products/mrt67307.html

>  <CAS Number> (1,487)
1190378-57-4 (free-base)

$$$$
MRT67307.cdx
csChFnd80/10101811552D

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    4.8497    2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    3.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7513    5.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1136    6.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7613    7.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5244    2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 26  1  0  0  0  0
 20 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 20  1  0  0  0  0
A   33
XHCl
M  END
>  <Mol_ID> (1,488)
2748

>  <Formula> (1,488)
C25H34N6OR

>  <MolWeight> (1,488)
434.57706

>  <Item Name> (1,488)
MRT68921 HCl

>  <Catalog Number> (1,488)
S7949

>  <Synonyms> (1,488)
N/A

>  <Target> (1,488)
Autophagy

>  <Form> (1,488)
hydrochloride

>  <URL> (1,488)
http://www.selleckchem.com/products/mrt68921.html

>  <CAS Number> (1,488)
1190379-70-4 (free base)

$$$$
i-Inositol.cdx
csChFnd80/10101811552D

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    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
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    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> (1,489)
2749

>  <Formula> (1,489)
C6H12O6

>  <MolWeight> (1,489)
180.15588

>  <Item Name> (1,489)
i-Inositol

>  <Catalog Number> (1,489)
S4530

>  <Synonyms> (1,489)
myo-inositol

>  <Target> (1,489)
Others

>  <Form> (1,489)
Free Base

>  <URL> (1,489)
http://www.selleckchem.com/products/i-inositol.html

>  <CAS Number> (1,489)
87-89-8

$$$$
Furazolidone.cdx
csChFnd80/10101811552D

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    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
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    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
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 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,490)
2750

>  <Formula> (1,490)
C8H7N3O5

>  <MolWeight> (1,490)
225.15828

>  <Item Name> (1,490)
Furazolidone

>  <Catalog Number> (1,490)
S4528

>  <Synonyms> (1,490)
N/A

>  <Target> (1,490)
Antifection

>  <Form> (1,490)
Free Base

>  <URL> (1,490)
http://www.selleckchem.com/products/furazolidone.html

>  <CAS Number> (1,490)
67-45-8

$$$$
Citric acid trilithium salt tetrahydrate.cdx
csChFnd80/10101811552D

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    2.4249    3.5000    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
    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
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    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
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  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> (1,491)
2751

>  <Formula> (1,491)
C6H13Li3O11

>  <MolWeight> (1,491)
281.98382

>  <Item Name> (1,491)
Citric acid trilithium salt tetrahydrate

>  <Catalog Number> (1,491)
S4519

>  <Synonyms> (1,491)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (1,491)
Others

>  <Form> (1,491)
Free Base

>  <URL> (1,491)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

>  <CAS Number> (1,491)
6080-58-6

$$$$
4-Aminoantipyrine.cdx
csChFnd80/10101811552D

 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
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    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
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  6 12  2  0  0  0  0
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  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> (1,492)
2752

>  <Formula> (1,492)
C11H13N3O

>  <MolWeight> (1,492)
203.24042

>  <Item Name> (1,492)
4-Aminoantipyrine

>  <Catalog Number> (1,492)
S4509

>  <Synonyms> (1,492)
Ampyrone, NSC 60242, Metapirazone, Solnapyrin-A, Solvapyrin-A, Minoazophene, Aminoazophene, Aminoanti

>  <Target> (1,492)
Orhers

>  <Form> (1,492)
Free Base

>  <URL> (1,492)
http://www.selleckchem.com/products/4-aminoantipyrine.html

>  <CAS Number> (1,492)
83-07-8

$$$$
Ethylparaben.cdx
csChFnd80/10101811552D

 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
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M  END
>  <Mol_ID> (1,493)
2753

>  <Formula> (1,493)
C9H10O3

>  <MolWeight> (1,493)
166.1739

>  <Item Name> (1,493)
Ethylparaben

>  <Catalog Number> (1,493)
S4525

>  <Synonyms> (1,493)
Ethyl parahydroxybenzoate, Ethyl 4-hydroxybenzoate

>  <Target> (1,493)
Antifection

>  <Form> (1,493)
Free Base

>  <URL> (1,493)
http://www.selleckchem.com/products/ethylparaben.html

>  <CAS Number> (1,493)
120-47-8

$$$$
Iopamidol.cdx
csChFnd80/10101811552D

 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
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    7.2748    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,494)
2754

>  <Formula> (1,494)
C17H22I3N3O8

>  <MolWeight> (1,494)
777.08529

>  <Item Name> (1,494)
Iopamidol

>  <Catalog Number> (1,494)
S4532

>  <Synonyms> (1,494)
Iopamiro, Isovue, Iopamiron, Niopam, Solutrast

>  <Target> (1,494)
Others

>  <Form> (1,494)
Free Base

>  <URL> (1,494)
http://www.selleckchem.com/products/iopamidol.html

>  <CAS Number> (1,494)
60166-93-0

$$$$
Nitrofurantoin.cdx
csChFnd80/10101811552D

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    3.6116    2.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,495)
2755

>  <Formula> (1,495)
C8H6N4O5

>  <MolWeight> (1,495)
238.15704

>  <Item Name> (1,495)
Nitrofurantoin

>  <Catalog Number> (1,495)
S4536

>  <Synonyms> (1,495)
Macrodantin, Furadantine, Furadonine

>  <Target> (1,495)
Antifection

>  <Form> (1,495)
Free Base

>  <URL> (1,495)
http://www.selleckchem.com/products/nitrofurantoin.html

>  <CAS Number> (1,495)
67-20-9

$$$$
SBI-0640756.cdx
csChFnd80/10101811552D

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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,496)
2756

>  <Formula> (1,496)
C23H14ClFN2O2

>  <MolWeight> (1,496)
404.8208632

>  <Item Name> (1,496)
SBI-0640756

>  <Catalog Number> (1,496)
S8181

>  <Synonyms> (1,496)
N/A

>  <Target> (1,496)
Others

>  <Form> (1,496)
Free Base

>  <URL> (1,496)
http://www.selleckchem.com/products/sbi-0640756.html

>  <CAS Number> (1,496)
N/A

$$$$
Dehydroacetic acid.cdx
csChFnd80/10101811552D

 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
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    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
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  4 10  2  0  0  0  0
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M  END
>  <Mol_ID> (1,497)
2757

>  <Formula> (1,497)
C8H8O4

>  <MolWeight> (1,497)
168.14672

>  <Item Name> (1,497)
Dehydroacetic acid

>  <Catalog Number> (1,497)
S4522

>  <Synonyms> (1,497)
Biocide 470F, Methylacetopyronone

>  <Target> (1,497)
Antifection

>  <Form> (1,497)
Free Base

>  <URL> (1,497)
http://www.selleckchem.com/products/dehydroacetic-acid.html

>  <CAS Number> (1,497)
520-45-6

$$$$
DEET.cdx
csChFnd80/10101811552D

 14 14  0  0  0  0  0  0  0  0999 V2000
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    3.6443    4.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4199    2.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2159    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018    3.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0857    4.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,498)
2758

>  <Formula> (1,498)
C12H17NO

>  <MolWeight> (1,498)
191.26948

>  <Item Name> (1,498)
DEET

>  <Catalog Number> (1,498)
S4521

>  <Synonyms> (1,498)
N,N-Diethyl-meta-toluamide, diethyltoluamide

>  <Target> (1,498)
Antifection

>  <Form> (1,498)
Free Base

>  <URL> (1,498)
http://www.selleckchem.com/products/deet.html

>  <CAS Number> (1,498)
134-62-3

$$$$
Acetylleucine.cdx
csChFnd80/10101811552D

 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
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  5 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,499)
2760

>  <Formula> (1,499)
C8H15NO3

>  <MolWeight> (1,499)
173.2096

>  <Item Name> (1,499)
Acetylleucine

>  <Catalog Number> (1,499)
S4514

>  <Synonyms> (1,499)
N-acetyl-L-leucine

>  <Target> (1,499)
Others

>  <Form> (1,499)
Free Base

>  <URL> (1,499)
http://www.selleckchem.com/products/acetylleucine.html

>  <CAS Number> (1,499)
99-15-0

$$$$
Aceglutamide.cdx
csChFnd80/10101811552D

 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> (1,500)
2761

>  <Formula> (1,500)
C7H12N2O4

>  <MolWeight> (1,500)
188.18118

>  <Item Name> (1,500)
Aceglutamide

>  <Catalog Number> (1,500)
S4512

>  <Synonyms> (1,500)
¦Á-N-Acetyl-L-glutamine, N2-Acetylglutamine

>  <Target> (1,500)
Others

>  <Form> (1,500)
Free Base

>  <URL> (1,500)
http://www.selleckchem.com/products/aceglutamide.html

>  <CAS Number> (1,500)
2490-97-3

$$$$
Bucetin.cdx
csChFnd80/10101811552D

 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> (1,501)
2763

>  <Formula> (1,501)
C12H17NO3

>  <MolWeight> (1,501)
223.26828

>  <Item Name> (1,501)
Bucetin

>  <Catalog Number> (1,501)
S4554

>  <Synonyms> (1,501)
N/A

>  <Target> (1,501)
Others

>  <Form> (1,501)
Free Base

>  <URL> (1,501)
http://www.selleckchem.com/products/bucetin.html

>  <CAS Number> (1,501)
1083-57-4

$$$$
Bithionol.cdx
csChFnd80/10101811552D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6453    3.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8577    4.1791    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0732    3.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    5.5867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4814    1.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1083    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2023    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2129    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4814    0.0199    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5058    3.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663    5.6032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3604    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5081    2.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7182    4.1808    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3604    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
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  9 14  1  0  0  0  0
  9 15  1  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> (1,502)
2764

>  <Formula> (1,502)
C12H6Cl4O2S

>  <MolWeight> (1,502)
356.05184

>  <Item Name> (1,502)
Bithionol

>  <Catalog Number> (1,502)
S4552

>  <Synonyms> (1,502)
Actamer

>  <Target> (1,502)
cAMP

>  <Form> (1,502)
Free Base

>  <URL> (1,502)
http://www.selleckchem.com/products/bithionol.html

>  <CAS Number> (1,502)
97-18-7

$$$$
Resorcinol.cdx
csChFnd80/10101811552D

  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> (1,503)
2765

>  <Formula> (1,503)
C6H6O2

>  <MolWeight> (1,503)
110.11064

>  <Item Name> (1,503)
Resorcinol

>  <Catalog Number> (1,503)
S4579

>  <Synonyms> (1,503)
m-dihydroxybenzene, 3-hydroxyphenol

>  <Target> (1,503)
Antifection

>  <Form> (1,503)
Free Base

>  <URL> (1,503)
http://www.selleckchem.com/products/resorcinol.html

>  <CAS Number> (1,503)
108-46-3

$$$$
Aminoguanidine (hydrochloride).cdx
csChFnd80/10101811552D

  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> (1,504)
2766

>  <Formula> (1,504)
CH7ClN4

>  <MolWeight> (1,504)
110.54608

>  <Item Name> (1,504)
Aminoguanidine (hydrochloride)

>  <Catalog Number> (1,504)
S4548

>  <Synonyms> (1,504)
Pimagedine, Guanyl hydrazine, Hydrazinecarboximidamide, Imino semicarbazide, Monoaminoguanidine

>  <Target> (1,504)
Others

>  <Form> (1,504)
hydrochloride

>  <URL> (1,504)
http://www.selleckchem.com/products/aminoguanidine-hydrochloride.html

>  <CAS Number> (1,504)
1937-19-5

$$$$
Diethylcarbamazine (citrate).cdx
csChFnd80/10101811552D

 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> (1,505)
2768

>  <Formula> (1,505)
C16H29N3O8

>  <MolWeight> (1,505)
391.41676

>  <Item Name> (1,505)
Diethylcarbamazine (citrate)

>  <Catalog Number> (1,505)
S4564

>  <Synonyms> (1,505)
N/A

>  <Target> (1,505)
Antifection

>  <Form> (1,505)
Free Base

>  <URL> (1,505)
http://www.selleckchem.com/products/diethylcarbamazine-citrate.html

>  <CAS Number> (1,505)
1642-54-2

$$$$
Danthron.cdx
csChFnd80/10101811552D

 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> (1,506)
2769

>  <Formula> (1,506)
C14H8O4

>  <MolWeight> (1,506)
240.21092

>  <Item Name> (1,506)
Danthron

>  <Catalog Number> (1,506)
S4561

>  <Synonyms> (1,506)
chrysazin, Antrapurol

>  <Target> (1,506)
Others

>  <Form> (1,506)
Free Base

>  <URL> (1,506)
http://www.selleckchem.com/products/danthron.html

>  <CAS Number> (1,506)
117-10-2

$$$$
Trihexyphenidyl (hydrochloride).cdx
csChFnd80/10101811552D

 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
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>  <Mol_ID> (1,507)
2771

>  <Formula> (1,507)
C20H32ClNO

>  <MolWeight> (1,507)
337.92718

>  <Item Name> (1,507)
Trihexyphenidyl hydrochloride

>  <Catalog Number> (1,507)
S4542

>  <Synonyms> (1,507)
Benzhexol hydrochloride, Artane hydrochloride

>  <Target> (1,507)
AChR

>  <Form> (1,507)
hydrochloride

>  <URL> (1,507)
http://www.selleckchem.com/products/trihexyphenidyl-hydrochloride.html

>  <CAS Number> (1,507)
52-49-3

$$$$
Trimetazidine (dihydrochloride).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,508)
2772

>  <Formula> (1,508)
C14H24Cl2N2O3

>  <MolWeight> (1,508)
339.25796

>  <Item Name> (1,508)
Trimetazidine dihydrochloride

>  <Catalog Number> (1,508)
S4543

>  <Synonyms> (1,508)
Yoshimilon, Kyurinett, Vastarel F

>  <Target> (1,508)
Others

>  <Form> (1,508)
Dihydrochloride

>  <URL> (1,508)
http://www.selleckchem.com/products/trimetazidine-dihydrochloride.html

>  <CAS Number> (1,508)
13171-25-0

$$$$
Salicylic acid.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,509)
2774

>  <Formula> (1,509)
C7H6O3

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Salicylic acid

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S4539

>  <Synonyms> (1,509)
2-Hydroxybenzoic acid

>  <Target> (1,509)
COX

>  <Form> (1,509)
Free Base

>  <URL> (1,509)
http://www.selleckchem.com/products/salicylic-acid.html

>  <CAS Number> (1,509)
69-72-7

$$$$
BI-78D3.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,510)
2775

>  <Formula> (1,510)
C13H9N5O5S2

>  <MolWeight> (1,510)
379.37106

>  <Item Name> (1,510)
BI-78D3

>  <Catalog Number> (1,510)
S8201

>  <Synonyms> (1,510)
N/A

>  <Target> (1,510)
JNK

>  <Form> (1,510)
Free Base

>  <URL> (1,510)
http://www.selleckchem.com/products/bi-78d3.html

>  <CAS Number> (1,510)
883065-90-5

$$$$
FCCP.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,511)
2776

>  <Formula> (1,511)
C10H5F3N4O

>  <MolWeight> (1,511)
254.1681096

>  <Item Name> (1,511)
FCCP

>  <Catalog Number> (1,511)
S8276

>  <Synonyms> (1,511)
Trifluoromethoxy carbonylcyanide phenylhydrazone

>  <Target> (1,511)
ATPase

>  <Form> (1,511)
Free Base

>  <URL> (1,511)
http://www.selleckchem.com/products/fccp.html

>  <CAS Number> (1,511)
370-86-5

$$$$
FPS-ZM1.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,512)
2778

>  <Formula> (1,512)
C20H22ClNO

>  <MolWeight> (1,512)
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>  <Item Name> (1,512)
FPS-ZM1

>  <Catalog Number> (1,512)
S8185

>  <Synonyms> (1,512)
N/A

>  <Target> (1,512)
Others

>  <Form> (1,512)
Free Base

>  <URL> (1,512)
http://www.selleckchem.com/products/fps-zm1.html

>  <CAS Number> (1,512)
945714-67-0

$$$$
PF-8380.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,513)
2779

>  <Formula> (1,513)
C22H21Cl2N3O5

>  <MolWeight> (1,513)
478.32524

>  <Item Name> (1,513)
PF-8380

>  <Catalog Number> (1,513)
S8218

>  <Synonyms> (1,513)
N/A

>  <Target> (1,513)
PDE

>  <Form> (1,513)
Free Base

>  <URL> (1,513)
http://www.selleckchem.com/products/pf-8380.html

>  <CAS Number> (1,513)
1144035-53-9

$$$$
Methylene Blue.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,514)
2780

>  <Formula> (1,514)
C16H18ClN3S

>  <MolWeight> (1,514)
319.85222

>  <Item Name> (1,514)
Methylene Blue

>  <Catalog Number> (1,514)
S4535

>  <Synonyms> (1,514)
Basic Blue 9, Tetramethylthionine chloride, methylthioninium chloride, CI-52015

>  <Target> (1,514)
Others

>  <Form> (1,514)
Free Base

>  <URL> (1,514)
http://www.selleckchem.com/products/methylene-blue.html

>  <CAS Number> (1,514)
61-73-4

$$$$
APTSTAT3-9R.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,515)
2781

>  <Formula> (1,515)
C223H330N80O51

>  <MolWeight> (1,515)
4947.5117

>  <Item Name> (1,515)
APTSTAT3-9R

>  <Catalog Number> (1,515)
S8197

>  <Synonyms> (1,515)
N/A

>  <Target> (1,515)
STAT

>  <Form> (1,515)
Free Base

>  <URL> (1,515)
http://www.selleckchem.com/products/aptstat3-9r.html

>  <CAS Number> (1,515)
C223H330N80O51

$$$$
Idramantone.cdx
csChFnd80/10101811552D

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Idramantone

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Kemantane, 5-Hydroxy-2-adamantanone

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Immunology & Inflammation related

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Free Base

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20098-14-0

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NC-503

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disodium salt

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36589-58-9

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Casein Kinase

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186611-52-9

$$$$
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csChFnd80/10101811552D

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Epigenetic Reader Domain

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Free Base

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http://www.selleckchem.com/products/bi-7273.html

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1883429-21-7

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$$$$
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csChFnd80/10101811552D

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Ixabepilone (BMS-247550)

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S7930

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Azaepothilone B, BMS 247550, BMS 247550-1, Ixempra

>  <Target> (1,521)
Microtubule Associated

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Free Base

>  <URL> (1,521)
http://www.selleckchem.com/products/ixabepilone-bms-247550.html

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219989-84-1

$$$$
GSK481.cdx
csChFnd80/10101811552D

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>  <Formula> (1,522)
C21H19N3O4

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>  <Item Name> (1,522)
GSK481

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S8169

>  <Synonyms> (1,522)
N/A

>  <Target> (1,522)
TNF-alpha

>  <Form> (1,522)
Free Base

>  <URL> (1,522)
http://www.selleckchem.com/products/gsk481.html

>  <CAS Number> (1,522)
1622849-58-4

$$$$
A-366.cdx
csChFnd80/10101811552D

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2791

>  <Formula> (1,523)
C19H27N3O2

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329.43658

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A-366

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S7572

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N/A

>  <Target> (1,523)
Histone Methyltransferase

>  <Form> (1,523)
Free Base

>  <URL> (1,523)
http://www.selleckchem.com/products/a-366.html

>  <CAS Number> (1,523)
1527503-11-2

$$$$
Carsalam.cdx
csChFnd80/10101811552D

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2792

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C8H5NO3

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Carsalam

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Carbonylsalicylamide

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Antifection

>  <Form> (1,524)
Free Base

>  <URL> (1,524)
http://www.selleckchem.com/products/carsalam.html

>  <CAS Number> (1,524)
2037-95-8

$$$$
S4571 Hexylresorcinol.cdx
csChFnd80/10101811552D

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2793

>  <Formula> (1,525)
C12H18O2

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Hexylresorcinol

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S4571

>  <Synonyms> (1,525)
4-Hexylresorcinol

>  <Target> (1,525)
Tyrosinase

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Free Base

>  <URL> (1,525)
http://www.selleckchem.com/products/hexylresorcinol.html

>  <CAS Number> (1,525)
136-77-6

$$$$
S4569 Fluphenazine (dihydrochloride).cdx
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 10 15  1  0  0  0  0
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 16 21  1  0  0  0  0
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 22 24  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,526)
2794

>  <Formula> (1,526)
C22H28Cl2F3N3OS

>  <MolWeight> (1,526)
510.4434296

>  <Item Name> (1,526)
Fluphenazine (dihydrochloride)

>  <Catalog Number> (1,526)
S4569

>  <Synonyms> (1,526)
Prolixin

>  <Target> (1,526)
Dopamine Receptor

>  <Form> (1,526)
dihydrochloride

>  <URL> (1,526)
http://www.selleckchem.com/products/fluphenazine-dihydrochloride.html

>  <CAS Number> (1,526)
146-56-5

$$$$
S4566 DL-Panthenol.cdx
csChFnd80/10101811552D

 14 13  0  0  0  0  0  0  0  0999 V2000
    3.3124    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,527)
2796

>  <Formula> (1,527)
C9H19NO4

>  <MolWeight> (1,527)
205.25146

>  <Item Name> (1,527)
DL-Panthenol

>  <Catalog Number> (1,527)
S4566

>  <Synonyms> (1,527)
DL-Pantothenol, DL-Pantothenyl alcohol

>  <Target> (1,527)
Others

>  <Form> (1,527)
Free Base

>  <URL> (1,527)
http://www.selleckchem.com/products/dl-panthenol.html

>  <CAS Number> (1,527)
16485-10-2

$$$$
S4565 Diiodohydroxyquinoline.cdx
csChFnd80/10101811552D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6213    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    3.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8373    1.3791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4634    4.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    3.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4634    5.5870    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0597    3.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4099    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
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  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> (1,528)
2797

>  <Formula> (1,528)
C9H5I2NO

>  <MolWeight> (1,528)
396.95104

>  <Item Name> (1,528)
Diiodohydroxyquinoline

>  <Catalog Number> (1,528)
S4565

>  <Synonyms> (1,528)
Iodoquinol

>  <Target> (1,528)
Antifection

>  <Form> (1,528)
Free Base

>  <URL> (1,528)
http://www.selleckchem.com/products/diiodohydroxyquinoline.html

>  <CAS Number> (1,528)
83-73-8

$$$$
S4559 Cloxiquine.cdx
csChFnd80/10101811552D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,529)
2798

>  <Formula> (1,529)
C9H6ClNO

>  <MolWeight> (1,529)
179.60304

>  <Item Name> (1,529)
Cloxiquine

>  <Catalog Number> (1,529)
S4559

>  <Synonyms> (1,529)
5-Chloro-8-quinolinol, Dermofungin|

>  <Target> (1,529)
Antifection

>  <Form> (1,529)
Free Base

>  <URL> (1,529)
http://www.selleckchem.com/products/cloxiquine.html

>  <CAS Number> (1,529)
130-16-5

$$$$
S4558 Citiolone.cdx
csChFnd80/10101811552D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2650    0.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129    2.1644    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4131    2.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6191    3.3090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027    0.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134    3.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8196    4.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6016    1.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  3  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,530)
2799

>  <Formula> (1,530)
C6H9NO2S

>  <MolWeight> (1,530)
159.20616

>  <Item Name> (1,530)
Citiolone

>  <Catalog Number> (1,530)
S4558

>  <Synonyms> (1,530)
N/A

>  <Target> (1,530)
Others

>  <Form> (1,530)
Free Base

>  <URL> (1,530)
http://www.selleckchem.com/products/citiolone.html

>  <CAS Number> (1,530)
1195-16-0

$$$$
S4556 Carzenide.cdx
csChFnd80/10101811552D

 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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 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,531)
2800

>  <Formula> (1,531)
C7H7NO4S

>  <MolWeight> (1,531)
201.19978

>  <Item Name> (1,531)
Carzenide

>  <Catalog Number> (1,531)
S4556

>  <Synonyms> (1,531)
4-Sulfamoylbenzoic acid

>  <Target> (1,531)
Others

>  <Form> (1,531)
Free Base

>  <URL> (1,531)
http://www.selleckchem.com/products/carzenide.html

>  <CAS Number> (1,531)
138-41-0

$$$$
S4553 Bronopol.cdx
csChFnd80/10101811552D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.3422    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    1.3523    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3523    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    1.3523    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7146    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    2.9698    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
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  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,532)
2801

>  <Formula> (1,532)
C3H6BrNO4

>  <MolWeight> (1,532)
199.98804

>  <Item Name> (1,532)
Bronopol

>  <Catalog Number> (1,532)
S4553

>  <Synonyms> (1,532)
N/A

>  <Target> (1,532)
Antifection

>  <Form> (1,532)
Free Base

>  <URL> (1,532)
http://www.selleckchem.com/products/bronopol.html

>  <CAS Number> (1,532)
52-51-7

$$$$
S4549 Antimonyl (potassium tartrate trihydrate).cdx
csChFnd80/10101811552D

 27 26  0  0  0  0  0  0  0  0999 V2000
    9.4172    3.5797    0.0000 Sb  0  5  0  0  0  0  0  0  0  0  0  0
    8.0455    3.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0786    3.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1152    2.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1342    4.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8619    2.0117    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9031    5.1797    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1201    1.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1459    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4359    2.0117    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4776    5.1797    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3496    0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3781    7.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1909    1.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2394    3.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2202    5.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2860    3.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2081    2.3514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9846    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2351    4.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   11.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2221    3.5996    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.0860    3.6187    0.0000 K   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
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
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 10 14  1  0  0  0  0
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 14 18  1  0  0  0  0
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 17 20  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,533)
2802

>  <Formula> (1,533)
C8H10K2O15Sb2

>  <MolWeight> (1,533)
667.8726

>  <Item Name> (1,533)
Antimonyl (potassium tartrate trihydrate)

>  <Catalog Number> (1,533)
S4549

>  <Synonyms> (1,533)
Tartar emetic

>  <Target> (1,533)
Others

>  <Form> (1,533)
Free Base

>  <URL> (1,533)
http://www.selleckchem.com/products/antimonyl-potassium-tartrate-trihydrate.html

>  <CAS Number> (1,533)
28300-74-5

$$$$
S4516 (+)-Camphor.cdx
csChFnd80/10101811552D

 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
    1.3520    1.6574    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7041    1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,534)
2807

>  <Formula> (1,534)
C10H16O

>  <MolWeight> (1,534)
152.23344

>  <Item Name> (1,534)
(+)-Camphor

>  <Catalog Number> (1,534)
S4516

>  <Synonyms> (1,534)
N/A

>  <Target> (1,534)
TRPV

>  <Form> (1,534)
Free Base

>  <URL> (1,534)
http://www.selleckchem.com/products/camphor.html

>  <CAS Number> (1,534)
464-49-3

$$$$
S4594 Cephalothin.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,535)
2808

>  <Formula> (1,535)
C16H15N2NaO6S2

>  <MolWeight> (1,535)
418.41987

>  <Item Name> (1,535)
Cephalothin

>  <Catalog Number> (1,535)
S4594

>  <Synonyms> (1,535)
Cefalotin

>  <Target> (1,535)
Antifection

>  <Form> (1,535)
Free Base

>  <URL> (1,535)
http://www.selleckchem.com/products/cephalothin.html

>  <CAS Number> (1,535)
58-71-9

$$$$
S4593 Chlormadinone acetate.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,536)
2809

>  <Formula> (1,536)
C23H29ClO4

>  <MolWeight> (1,536)
404.92696

>  <Item Name> (1,536)
Chlormadinone acetate

>  <Catalog Number> (1,536)
S4593

>  <Synonyms> (1,536)
Gestafortin

>  <Target> (1,536)
Estrogen/progestogen

>  <Form> (1,536)
Free Base

>  <URL> (1,536)
http://www.selleckchem.com/products/chlormadinone-acetate.html

>  <CAS Number> (1,536)
302-22-7

$$$$
Tyloxapol.cdx
csChFnd80/10101811552D

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n
A   65
m=6-8;n<=5
M  END
>  <Mol_ID> (1,537)
2810

>  <Formula> (1,537)
C51H80O6R5

>  <MolWeight> (1,537)
789.1773

>  <Item Name> (1,537)
Tyloxapol

>  <Catalog Number> (1,537)
S4578

>  <Synonyms> (1,537)
Triton WR1339

>  <Target> (1,537)
Others

>  <Form> (1,537)
Free Base

>  <URL> (1,537)
http://www.selleckchem.com/products/tyloxapol.html

>  <CAS Number> (1,537)
25301-02-4

$$$$
Halothane.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,538)
2811

>  <Formula> (1,538)
C2HBrClF3

>  <MolWeight> (1,538)
197.3815496

>  <Item Name> (1,538)
Halothane

>  <Catalog Number> (1,538)
S4570

>  <Synonyms> (1,538)
Narcotane

>  <Target> (1,538)
Others

>  <Form> (1,538)
Free Base

>  <URL> (1,538)
http://www.selleckchem.com/products/halothane.html

>  <CAS Number> (1,538)
151-67-7

$$$$
Terpin (hydrate).cdx
csChFnd80/10101811552D

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    1.1758    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5807    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,539)
2812

>  <Formula> (1,539)
C10H22O3

>  <MolWeight> (1,539)
190.27988

>  <Item Name> (1,539)
Terpin (hydrate)

>  <Catalog Number> (1,539)
S4577

>  <Synonyms> (1,539)
N/A

>  <Target> (1,539)
Others

>  <Form> (1,539)
hydrate

>  <URL> (1,539)
http://www.selleckchem.com/products/terpin-hydrate.html

>  <CAS Number> (1,539)
2451-01-6

$$$$
Triacetin.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,540)
2813

>  <Formula> (1,540)
C9H14O6

>  <MolWeight> (1,540)
218.20386

>  <Item Name> (1,540)
Triacetin

>  <Catalog Number> (1,540)
S4581

>  <Synonyms> (1,540)
	Glycerol triacetate, Glyceryl triacetate, Glycerin triacetate, 1,2,3-Triacetoxypropane

>  <Target> (1,540)
Others

>  <Form> (1,540)
Free Base

>  <URL> (1,540)
http://www.selleckchem.com/products/triacetin.html

>  <CAS Number> (1,540)
102-76-1

$$$$
Xylitol.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,541)
2814

>  <Formula> (1,541)
C5H12O5

>  <MolWeight> (1,541)
152.14578

>  <Item Name> (1,541)
Xylitol

>  <Catalog Number> (1,541)
S4546

>  <Synonyms> (1,541)
Adonitol, Ribitol, Xylite, D-Xylitol, Adonite

>  <Target> (1,541)
Others

>  <Form> (1,541)
Free Base

>  <URL> (1,541)
http://www.selleckchem.com/products/xylitol.html

>  <CAS Number> (1,541)
87-99-0

$$$$
Urethane.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,542)
2815

>  <Formula> (1,542)
C3H7NO2

>  <MolWeight> (1,542)
89.09318

>  <Item Name> (1,542)
Urethane

>  <Catalog Number> (1,542)
S4544

>  <Synonyms> (1,542)
Carbamic acid ethyl ester, Ethyl carbamate, Ethylurethane

>  <Target> (1,542)
Others

>  <Form> (1,542)
Free Base

>  <URL> (1,542)
http://www.selleckchem.com/products/urethane.html

>  <CAS Number> (1,542)
51-79-6

$$$$
GSK2292767.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,543)
2816

>  <Formula> (1,543)
C24H28N6O5S

>  <MolWeight> (1,543)
512.58132

>  <Item Name> (1,543)
GSK2292767

>  <Catalog Number> (1,543)
S7938

>  <Synonyms> (1,543)
N/A

>  <Target> (1,543)
PI3K

>  <Form> (1,543)
Free Base

>  <URL> (1,543)
http://www.selleckchem.com/products/gsk2292767.html

>  <CAS Number> (1,543)
1254036-66-2

$$$$
AMG337.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,544)
2817

>  <Formula> (1,544)
C23H22FN7O3

>  <MolWeight> (1,544)
463.4642832

>  <Item Name> (1,544)
AMG 337

>  <Catalog Number> (1,544)
S8167

>  <Synonyms> (1,544)
N/A

>  <Target> (1,544)
c-Met

>  <Form> (1,544)
Free Base

>  <URL> (1,544)
http://www.selleckchem.com/products/amg-337.html

>  <CAS Number> (1,544)
1173699-31-4

$$$$
SKF96365.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,545)
2819

>  <Formula> (1,545)
C22H27ClN2O3

>  <MolWeight> (1,545)
402.91438

>  <Item Name> (1,545)
SKF96365

>  <Catalog Number> (1,545)
S7999

>  <Synonyms> (1,545)
N/A

>  <Target> (1,545)
Calcium Channel

>  <Form> (1,545)
Hydrochloride

>  <URL> (1,545)
http://www.selleckchem.com/products/skf96365.html

>  <CAS Number> (1,545)
130495-35-1

$$$$
S4600 Benzyl alcohol.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,546)
2820

>  <Formula> (1,546)
C7H8O

>  <MolWeight> (1,546)
108.13782

>  <Item Name> (1,546)
Benzyl alcohol

>  <Catalog Number> (1,546)
S4600

>  <Synonyms> (1,546)
Phenylmethanol, Benzenemethanol, Phenylcarbinol, Benzoyl alcohol

>  <Target> (1,546)
Others

>  <Form> (1,546)
Free Base

>  <URL> (1,546)
http://www.selleckchem.com/products/benzyl-alcohol.html

>  <CAS Number> (1,546)
100-51-6

$$$$
S4599 Benzyl benzoate.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,547)
2821

>  <Formula> (1,547)
C14H12O2

>  <MolWeight> (1,547)
212.24388

>  <Item Name> (1,547)
Benzyl benzoate

>  <Catalog Number> (1,547)
S4599

>  <Synonyms> (1,547)
Ascabiol, Novoscabin, Scabitox, Benzoic acid benzyl ester

>  <Target> (1,547)
Others

>  <Form> (1,547)
Free Base

>  <URL> (1,547)
http://www.selleckchem.com/products/benzyl-benzoate.html

>  <CAS Number> (1,547)
120-51-4

$$$$
S4597 Lercanidipine (hydrochloride).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,548)
2822

>  <Formula> (1,548)
C36H42ClN3O6

>  <MolWeight> (1,548)
648.18818

>  <Item Name> (1,548)
Lercanidipine (hydrochloride)

>  <Catalog Number> (1,548)
S4597

>  <Synonyms> (1,548)
Zanidip (hydrochloride), Masnidipine (hydrochloride)

>  <Target> (1,548)
Calcium Channel

>  <Form> (1,548)
hydrochloride

>  <URL> (1,548)
http://www.selleckchem.com/products/lercanidipine-hydrochloride.html

>  <CAS Number> (1,548)
132866-11-6

$$$$
S4596 Cefixime.cdx
csChFnd80/10101811552D

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    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
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    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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 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> (1,549)
2823

>  <Formula> (1,549)
C16H15N5O7S2

>  <MolWeight> (1,549)
453.4496

>  <Item Name> (1,549)
Cefixime

>  <Catalog Number> (1,549)
S4596

>  <Synonyms> (1,549)
Cefixima, Cefiximum, Cephoral, Cefspan, FR-17027, FK-027, CL-284635

>  <Target> (1,549)
Antifection

>  <Form> (1,549)
Free Base

>  <URL> (1,549)
http://www.selleckchem.com/products/cefixime.html

>  <CAS Number> (1,549)
79350-37-1

$$$$
S4595 Cefazolin (sodium).cdx
csChFnd80/10101811552D

 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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   15.7169    0.8640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  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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 21 25  1  0  0  0  0
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 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> (1,550)
2824

>  <Formula> (1,550)
C14H13N8NaO4S3

>  <MolWeight> (1,550)
476.48899

>  <Item Name> (1,550)
Cefazolin Sodium

>  <Catalog Number> (1,550)
S4595

>  <Synonyms> (1,550)
cefazoline sodium, cephazolin sodium, Ancef

>  <Target> (1,550)
Antifection

>  <Form> (1,550)
Sodium Salt

>  <URL> (1,550)
http://www.selleckchem.com/products/cefazolin-sodium.html

>  <CAS Number> (1,550)
27164-46-1

$$$$
S4591 Nitroxoline.cdx
csChFnd80/10101811552D

 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> (1,551)
2825

>  <Formula> (1,551)
C9H6N2O3

>  <MolWeight> (1,551)
190.15554

>  <Item Name> (1,551)
Nitroxoline

>  <Catalog Number> (1,551)
S4591

>  <Synonyms> (1,551)
8-Hydroxy-5-nitroquinoline, 5-nitroquinolin-8-ol, 5-Nitro-8-quinolinol|5-Nitro-8-hydroxyquinoline

>  <Target> (1,551)
Topoisomerase

>  <Form> (1,551)
Free Base

>  <URL> (1,551)
http://www.selleckchem.com/products/nitroxoline.html

>  <CAS Number> (1,551)
4008-48-4

$$$$
S4587 Dithranol.cdx
csChFnd80/10101811552D

 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> (1,552)
2826

>  <Formula> (1,552)
C6H10N4

>  <MolWeight> (1,552)
138.1704

>  <Item Name> (1,552)
Pentylenetetrazol

>  <Catalog Number> (1,552)
S4587

>  <Synonyms> (1,552)
	Pentylenetetrazole, Metrazole, pentetrazol, pentamethylenetetrazol, Corazol, Cardiazol, PTZ

>  <Target> (1,552)
GABA Receptor

>  <Form> (1,552)
Free Base

>  <URL> (1,552)
http://www.selleckchem.com/products/pentylenetetrazol.html

>  <CAS Number> (1,552)
54-95-5

$$$$
S4585 Succinylsulfathiazole.cdx
csChFnd80/10101811552D

 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
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    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
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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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  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> (1,553)
2828

>  <Formula> (1,553)
C13H13N3O5S2

>  <MolWeight> (1,553)
355.38942

>  <Item Name> (1,553)
Succinylsulfathiazole

>  <Catalog Number> (1,553)
S4585

>  <Synonyms> (1,553)
Succinylsulphathiazole

>  <Target> (1,553)
Antifection

>  <Form> (1,553)
Free Base

>  <URL> (1,553)
http://www.selleckchem.com/products/succinylsulfathiazole.html

>  <CAS Number> (1,553)
116-43-8

$$$$
S4584 Butylparaben.cdx
csChFnd80/10101811552D

 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
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  3  7  2  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> (1,554)
2829

>  <Formula> (1,554)
C11H14O3

>  <MolWeight> (1,554)
194.22706

>  <Item Name> (1,554)
Butylparaben

>  <Catalog Number> (1,554)
S4584

>  <Synonyms> (1,554)
Butyl parahydroxybenzoate, Butyl paraben, Butyl 4-hydroxybenzoate

>  <Target> (1,554)
Antifection

>  <Form> (1,554)
Free Base

>  <URL> (1,554)
http://www.selleckchem.com/products/butylparaben.html

>  <CAS Number> (1,554)
94-26-8

$$$$
S4583 Butamben.cdx
csChFnd80/10101811552D

 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> (1,555)
2830

>  <Formula> (1,555)
C11H15NO2

>  <MolWeight> (1,555)
193.2423

>  <Item Name> (1,555)
Butamben

>  <Catalog Number> (1,555)
S4583

>  <Synonyms> (1,555)
Butyl 4-aminobenzoate

>  <Target> (1,555)
Others

>  <Form> (1,555)
Free Base

>  <URL> (1,555)
http://www.selleckchem.com/products/butamben.html

>  <CAS Number> (1,555)
94-25-7

$$$$
S4580 Hydroquinone.cdx
csChFnd80/10101811552D

  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> (1,556)
2831

>  <Formula> (1,556)
C6H6O2

>  <MolWeight> (1,556)
110.11064

>  <Item Name> (1,556)
Hydroquinone

>  <Catalog Number> (1,556)
S4580

>  <Synonyms> (1,556)
Quinol, 1,4-Benzenediol, 1,4-Dihydroxybenzene, HQ

>  <Target> (1,556)
ROS

>  <Form> (1,556)
Free Base

>  <URL> (1,556)
http://www.selleckchem.com/products/hydroquinone.html

>  <CAS Number> (1,556)
123-31-9

$$$$
S4576 Sulfabenzamide.cdx
csChFnd80/10101811552D

 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> (1,557)
2832

>  <Formula> (1,557)
C13H12N2O3S

>  <MolWeight> (1,557)
276.31098

>  <Item Name> (1,557)
Sulfabenzamide

>  <Catalog Number> (1,557)
S4576

>  <Synonyms> (1,557)
Sultrin, N-Sulfanilylbenzamide

>  <Target> (1,557)
Antifection

>  <Form> (1,557)
Free Base

>  <URL> (1,557)
http://www.selleckchem.com/products/sulfabenzamide.html

>  <CAS Number> (1,557)
127-71-9

$$$$
S4575 Pralidoxime (chloride).cdx
csChFnd80/10101811552D

 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
    4.5648    3.6536    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  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> (1,558)
2833

>  <Formula> (1,558)
C7H9ClN2O

>  <MolWeight> (1,558)
172.61216

>  <Item Name> (1,558)
Pralidoxime (chloride)

>  <Catalog Number> (1,558)
S4575

>  <Synonyms> (1,558)
2-PAM (chloride)

>  <Target> (1,558)
AChR

>  <Form> (1,558)
Free Base

>  <URL> (1,558)
http://www.selleckchem.com/products/pralidoxime-chloride.html

>  <CAS Number> (1,558)
51-15-0

$$$$
Cefuroxime sodium.cdx
csChFnd80/10101811552D

 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> (1,559)
2834

>  <Formula> (1,559)
C16H15N4NaO8S

>  <MolWeight> (1,559)
446.36707

>  <Item Name> (1,559)
Cefuroxime sodium

>  <Catalog Number> (1,559)
S4620

>  <Synonyms> (1,559)
N/A

>  <Target> (1,559)
Antifection

>  <Form> (1,559)
Sodium Salt

>  <URL> (1,559)
http://www.selleckchem.com/products/cefuroxime-sodium.html

>  <CAS Number> (1,559)
56238-63-2

$$$$
S4619 Itopride hydrochloride.cdx
csChFnd80/10101811552D

 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> (1,560)
2835

>  <Formula> (1,560)
C20H27ClN2O4

>  <MolWeight> (1,560)
394.89238

>  <Item Name> (1,560)
Itopride hydrochloride

>  <Catalog Number> (1,560)
S4619

>  <Synonyms> (1,560)
Ganaton, HSR803

>  <Target> (1,560)
AChR

>  <Form> (1,560)
hydrochloride

>  <URL> (1,560)
http://www.selleckchem.com/products/itopride-hydrochloride.html

>  <CAS Number> (1,560)
122892-31-3

$$$$
S4574 Piperazine.cdx
csChFnd80/10101811552D

  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> (1,561)
2836

>  <Formula> (1,561)
C4H10N2

>  <MolWeight> (1,561)
86.1356

>  <Item Name> (1,561)
Piperazine

>  <Catalog Number> (1,561)
S4574

>  <Synonyms> (1,561)
1,4-Diazacyclohexane, Diethylenediamine, exahydropyrazine, Piperazidine

>  <Target> (1,561)
GABA Receptor

>  <Form> (1,561)
Free Base

>  <URL> (1,561)
http://www.selleckchem.com/products/piperazine.html

>  <CAS Number> (1,561)
110-85-0

$$$$
Sisomicin sulfate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,562)
2837

>  <Formula> (1,562)
C38H84N10O34S5

>  <MolWeight> (1,562)
1385.44516

>  <Item Name> (1,562)
Sisomicin sulfate

>  <Catalog Number> (1,562)
S4540

>  <Synonyms> (1,562)
N/A

>  <Target> (1,562)
Antifection

>  <Form> (1,562)
2.5Sulfate

>  <URL> (1,562)
http://www.selleckchem.com/products/sisomicin-sulfate.html

>  <CAS Number> (1,562)
53179-09-2

$$$$
S4589 Amodiaquin (dihydrochloride dihydrate).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,563)
2838

>  <Formula> (1,563)
C20H28Cl3N3O3

>  <MolWeight> (1,563)
464.81362

>  <Item Name> (1,563)
Amodiaquin (dihydrochloride dihydrate)

>  <Catalog Number> (1,563)
S4589

>  <Synonyms> (1,563)
N/A

>  <Target> (1,563)
Transferase,Histone

>  <Form> (1,563)
dihydrochloride dihydrate

>  <URL> (1,563)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

>  <CAS Number> (1,563)
6398-98-7

$$$$
NQDI-1.cdx
csChFnd80/10101811552D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,564)
2839

>  <Formula> (1,564)
C19H13NO4

>  <MolWeight> (1,564)
319.31082

>  <Item Name> (1,564)
NQDI-1

>  <Catalog Number> (1,564)
S8289

>  <Synonyms> (1,564)
N/A

>  <Target> (1,564)
Caspase

>  <Form> (1,564)
Free Base

>  <URL> (1,564)
http://www.selleckchem.com/products/nqdi-1.html

>  <CAS Number> (1,564)
175026-96-7

$$$$
S4632 Hexachlorophene.cdx
csChFnd80/10101811552D

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  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,565)
2842

>  <Formula> (1,565)
C13H6Cl6O2

>  <MolWeight> (1,565)
406.90354

>  <Item Name> (1,565)
Hexachlorophene

>  <Catalog Number> (1,565)
S4632

>  <Synonyms> (1,565)
Hexachlorofen, Fostril, Nabac, pHisoHex

>  <Target> (1,565)
Potassium Channel

>  <Form> (1,565)
Free Base

>  <URL> (1,565)
http://www.selleckchem.com/products/hexachlorophene.html

>  <CAS Number> (1,565)
70-30-4

$$$$
S4630 Diazoxide.cdx
csChFnd80/10101811552D

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    3.6503    3.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503    2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    1.2179    2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3039    4.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3267    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
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  5 11  2  0  0  0  0
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  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> (1,566)
2843

>  <Formula> (1,566)
C8H7ClN2O2S

>  <MolWeight> (1,566)
230.67138

>  <Item Name> (1,566)
Diazoxide

>  <Catalog Number> (1,566)
S4630

>  <Synonyms> (1,566)
Sch-6783, SRG-95213, Proglycem

>  <Target> (1,566)
Potassium Channel

>  <Form> (1,566)
Free Base

>  <URL> (1,566)
http://www.selleckchem.com/products/diazoxide.html

>  <CAS Number> (1,566)
364-98-7

$$$$
S4629 Chlorotrianisene.cdx
csChFnd80/10101811552D

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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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    4.9003    1.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,567)
2844

>  <Formula> (1,567)
C23H21ClO3

>  <MolWeight> (1,567)
380.86404

>  <Item Name> (1,567)
Chlorotrianisene

>  <Catalog Number> (1,567)
S4629

>  <Synonyms> (1,567)
tri-p-anisylchloroethylene, tris(p-methoxyphenyl)chloroethylene, TACE, CTA

>  <Target> (1,567)
Estrogen/progestogen Receptor

>  <Form> (1,567)
Free Base

>  <URL> (1,567)
http://www.selleckchem.com/products/chlorotrianisene.html

>  <CAS Number> (1,567)
569-57-3

$$$$
S4628 (+-)-Sulfinpyrazone.cdx
csChFnd80/10101811552D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.5391    4.9992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8850    3.7785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9262    5.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,568)
2845

>  <Formula> (1,568)
C23H20N2O3S

>  <MolWeight> (1,568)
404.4815

>  <Item Name> (1,568)
(+/-)-Sulfinpyrazone

>  <Catalog Number> (1,568)
S4628

>  <Synonyms> (1,568)
G-28315, NSC 75925

>  <Target> (1,568)
COX

>  <Form> (1,568)
Free Base

>  <URL> (1,568)
http://www.selleckchem.com/products/sulfinpyrazone.html

>  <CAS Number> (1,568)
57-96-5

$$$$
S4626 ETHOSUXIMIDE.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,569)
2846

>  <Formula> (1,569)
C7H11NO2

>  <MolWeight> (1,569)
141.16774

>  <Item Name> (1,569)
Ethosuximide

>  <Catalog Number> (1,569)
S4626

>  <Synonyms> (1,569)
N/A

>  <Target> (1,569)
Calcium Channel

>  <Form> (1,569)
Free Base

>  <URL> (1,569)
http://www.selleckchem.com/products/ethosuximide.html

>  <CAS Number> (1,569)
77-67-8

$$$$
S4618 Fenoldopam (mesylate).cdx
csChFnd80/10101811552D

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    3.1411    3.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526    2.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8108    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1058    1.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4942    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4983    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    9.8597    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0097    8.4676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9659    3.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3659    3.6529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3659    5.0529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3659    2.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7659    3.6529    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  1 11  2  0  0  0  0
  1  7  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
  2 13  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,570)
2847

>  <Formula> (1,570)
C17H20ClNO6S

>  <MolWeight> (1,570)
401.8618

>  <Item Name> (1,570)
Fenoldopam (mesylate)

>  <Catalog Number> (1,570)
S4618

>  <Synonyms> (1,570)
SKF 82526 (mesylate), Fenoldopam methanesulfonate, Corlopam mesylate

>  <Target> (1,570)
Dopamine Receptor

>  <Form> (1,570)
mesylate

>  <URL> (1,570)
http://www.selleckchem.com/products/fenoldopam-mesylate.html

>  <CAS Number> (1,570)
67227-57-0

$$$$
S4617 Dextromethorphan hydrobromide hydrate.cdx
csChFnd80/10101811552D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.6599    0.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7818    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    3.7987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2000    3.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.0112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    5.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    6.2236    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7000    5.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    6.2236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6066    4.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6599    7.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3090    7.4137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3252    8.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  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
  5 19  1  6  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 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
  3 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  9 22  1  6  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,571)
2848

>  <Formula> (1,571)
C18H28BrNO2

>  <MolWeight> (1,571)
370.32442

>  <Item Name> (1,571)
Dextromethorphan (hydrobromide hydrate)

>  <Catalog Number> (1,571)
S4617

>  <Synonyms> (1,571)
Dextromethorphan hydrobromide monohydrate

>  <Target> (1,571)
AChR

>  <Form> (1,571)
hydrobromide

>  <URL> (1,571)
http://www.selleckchem.com/products/dextromethorphan-hydrobromide-hydrate.html

>  <CAS Number> (1,571)
6700-34-1

$$$$
Tubercidin.cdx
csChFnd80/10101811552D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2566    6.3643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566    4.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    4.2618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    4.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831    6.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    7.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    4.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    6.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    8.4642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    0.9250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2989    0.9250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0137    1.7463    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1190    2.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    1.7463    0.0000 C   0  0  2  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
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  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  1  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 11  1  1  0  0  0
 12 16  1  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (1,572)
2850

>  <Formula> (1,572)
C11H14N4O4

>  <MolWeight> (1,572)
266.25326

>  <Item Name> (1,572)
Tubercidin

>  <Catalog Number> (1,572)
S8095

>  <Synonyms> (1,572)
7-deaza-adenosine

>  <Target> (1,572)
DNA/RNA Synthesis

>  <Form> (1,572)
Free Base

>  <URL> (1,572)
http://www.selleckchem.com/products/tubercidin.html

>  <CAS Number> (1,572)
69-33-0

$$$$
L755507.cdx
csChFnd80/10101811552D

 41 43  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.2000    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
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   25.4443    2.7951    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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 20 21  2  0  0  0  0
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 19 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
 23 26  2  0  0  0  0
 24 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
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 31 24  1  0  0  0  0
 29 32  1  0  0  0  0
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 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (1,573)
2851

>  <Formula> (1,573)
C30H40N4O6S

>  <MolWeight> (1,573)
584.7268

>  <Item Name> (1,573)
L755507

>  <Catalog Number> (1,573)
S7974

>  <Synonyms> (1,573)
N/A

>  <Target> (1,573)
Adrenergic Receptor

>  <Form> (1,573)
Free Base

>  <URL> (1,573)
http://www.selleckchem.com/products/l755507.html

>  <CAS Number> (1,573)
159182-43-1

$$$$
S4582 Eflornithine  hydrochloride  hydrate.cdx
csChFnd80/10101811552D

 14 11  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2794    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    4.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    5.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0256    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6923    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  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
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,574)
2852

>  <Formula> (1,574)
C6H15ClF2N2O3

>  <MolWeight> (1,574)
236.6447064

>  <Item Name> (1,574)
Eflornithine hydrochloride hydrate

>  <Catalog Number> (1,574)
S4582

>  <Synonyms> (1,574)
Difluoromethylornithine hydrochloride hydrate

>  <Target> (1,574)
Decarboxylase

>  <Form> (1,574)
hydrochloride hydrate

>  <URL> (1,574)
http://www.selleckchem.com/products/eflornithine-hydrochloride-hydrate.html

>  <CAS Number> (1,574)
96020-91-6

$$$$
S4640 Lesinurad.cdx
csChFnd80/10101811552D

 24 27  0  0  0  0  0  0  0  0999 V2000
    7.2704    7.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9182    8.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2604    8.8203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7641    8.9668    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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  5  8  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,575)
2855

>  <Formula> (1,575)
C17H14BrN3O2S

>  <MolWeight> (1,575)
404.28096

>  <Item Name> (1,575)
Lesinurad

>  <Catalog Number> (1,575)
S4640

>  <Synonyms> (1,575)
RDEA 594, RDEA-594, RDEA594

>  <Target> (1,575)
Others

>  <Form> (1,575)
Free Base

>  <URL> (1,575)
http://www.selleckchem.com/products/lesinurad.html

>  <CAS Number> (1,575)
878672-00-5

$$$$
S4612 Dapson.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,576)
2857

>  <Formula> (1,576)
C12H12N2O2S

>  <MolWeight> (1,576)
248.30088

>  <Item Name> (1,576)
Dapson

>  <Catalog Number> (1,576)
S4612

>  <Synonyms> (1,576)
Dapsone, 4,4¡ä-Diaminodiphenyl sulfone, 4,4¡ä-Sulfonyldianiline, 4-Aminophenyl sulfone, Bis sulfone, 

>  <Target> (1,576)
Antifection

>  <Form> (1,576)
Free Base

>  <URL> (1,576)
http://www.selleckchem.com/products/dapson.html

>  <CAS Number> (1,576)
80-08-0

$$$$
S4610 Mebendazole.cdx
csChFnd80/10101811552D

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    7.2453    2.1045    0.0000 C   0  0  0  0  0  0  0  0  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> (1,577)
2858

>  <Formula> (1,577)
C16H13N3O3

>  <MolWeight> (1,577)
295.29272

>  <Item Name> (1,577)
Mebendazole

>  <Catalog Number> (1,577)
S4610

>  <Synonyms> (1,577)
Vermox, Telmin, Pantelmin, Mebenvet

>  <Target> (1,577)
Antifection

>  <Form> (1,577)
Free Base

>  <URL> (1,577)
http://www.selleckchem.com/products/mebendazole.html

>  <CAS Number> (1,577)
31431-39-7

$$$$
S4605 Folic acid.cdx
csChFnd80/10101811552D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    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
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    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,578)
2859

>  <Formula> (1,578)
C19H19N7O6

>  <MolWeight> (1,578)
441.39746

>  <Item Name> (1,578)
Folic acid

>  <Catalog Number> (1,578)
S4605

>  <Synonyms> (1,578)
Folacin, Vitamin B9, Vitamin M, Pteroylglutamic acid, Folate

>  <Target> (1,578)
Vitamin

>  <Form> (1,578)
Free Base

>  <URL> (1,578)
http://www.selleckchem.com/products/folic-acid.html

>  <CAS Number> (1,578)
59-30-3

$$$$
S4604 Levofloxacin hydrate.cdx
csChFnd80/10101811552D

 27 29  0  0  0  0  0  0  0  0999 V2000
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A   27
0.5H2O
M  END
>  <Mol_ID> (1,579)
2860

>  <Formula> (1,579)
C18H20FN3O4R

>  <MolWeight> (1,579)
361.3675032

>  <Item Name> (1,579)
Levofloxacin hydrate

>  <Catalog Number> (1,579)
S4604

>  <Synonyms> (1,579)
Levofloxacin hemihydrate, Levaquin hydrate, Tavanic hydrate, Quixin hydrate, Iquix hydrate, 

>  <Target> (1,579)
Topoisomerase

>  <Form> (1,579)
hydrate

>  <URL> (1,579)
http://www.selleckchem.com/products/levofloxacin-hydrate.html

>  <CAS Number> (1,579)
138199-71-0

$$$$
S4603 Gallic acid.cdx
csChFnd80/10101811552D

 12 12  0  0  0  0  0  0  0  0999 V2000
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Gallic acid

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149-91-7

$$$$
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csChFnd80/10101811552D

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Dolobid, Dolobis, Flovacil, Fluniget

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COX

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Free Base

>  <URL> (1,581)
http://www.selleckchem.com/products/diflunisal.html

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22494-42-4

$$$$
S4638 Desogestrel.cdx
csChFnd80/10101811552D

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Estrogen/progestogen Receptor

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Free Base

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

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54024-22-5

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csChFnd80/10101811552D

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N/A

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Rho

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436133-68-5

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/10101811552D

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>  <CAS Number> (1,584)
1353550-13-6

$$$$
S4656 Parecoxib.cdx
csChFnd80/10101811552D

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COX

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Free Base

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

>  <CAS Number> (1,585)
198470-84-7

$$$$
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csChFnd80/10101811552D

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C14H12O6S

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Sulisobenzone

>  <Catalog Number> (1,586)
S4652

>  <Synonyms> (1,586)
Benzophenone-4, Sungard

>  <Target> (1,586)
Others

>  <Form> (1,586)
Free Base

>  <URL> (1,586)
http://www.selleckchem.com/products/sulisobenzone.html

>  <CAS Number> (1,586)
4065-45-6

$$$$
S4647 Cefmenoxime hydrochloride.cdx
csChFnd80/10101811552D

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>  <URL> (1,587)
http://www.selleckchem.com/products/cefmenoxime-hydrochloride.html

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75738-58-8

$$$$
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    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    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
   18.1865    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6669    0.0281    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  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
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
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 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,588)
2871

>  <Formula> (1,588)
C20H37NaO7S

>  <MolWeight> (1,588)
444.55835

>  <Item Name> (1,588)
Docusate Sodium

>  <Catalog Number> (1,588)
S4588

>  <Synonyms> (1,588)
Aerosol OT, Bis(2-ethylhexyl) sulfosuccinate sodium salt, Constonate

>  <Target> (1,588)
Opioid Receptor

>  <Form> (1,588)
sodium salt

>  <URL> (1,588)
http://www.selleckchem.com/products/docusate-sodium.html

>  <CAS Number> (1,588)
577-11-7

$$$$
FOMEPIZOLE (fomepizole).cdx
csChFnd80/10101811552D

  6  6  0  0  0  0  0  0  0  0999 V2000
    0.8780    2.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5156    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6898    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778    0.8810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761    2.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1990    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
  1  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,589)
2872

>  <Formula> (1,589)
C4H6N2

>  <MolWeight> (1,589)
82.10384

>  <Item Name> (1,589)
Fomepizole (Antizol)

>  <Catalog Number> (1,589)
S1717

>  <Synonyms> (1,589)
4-methylpyrazole, Antizol, Antizol-Vet

>  <Target> (1,589)
5-alpha Reductase

>  <Form> (1,589)
Free Base

>  <URL> (1,589)
http://www.selleckchem.com/products/Fomepizole(Antizol).html

>  <CAS Number> (1,589)
7554-65-6

$$$$
S4657 Eslicarbazepine Acetate.cdx
csChFnd80/10101811552D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.9398    2.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6888    2.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3447    4.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9339    0.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2278    5.2265    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1872    2.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5165    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5938    5.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399    6.4971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2413    6.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058    0.0555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6580    7.8845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1300    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6885    1.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0003    4.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    1.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8624    4.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286    5.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3441    2.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5459    2.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8753    3.5542    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
  6  1  1  0  0  0  0
  3  2  2  0  0  0  0
 14  2  1  0  0  0  0
  5  3  1  0  0  0  0
 15  3  1  0  0  0  0
 11  4  2  0  0  0  0
 13  4  1  0  0  0  0
  5  9  1  1  0  0  0
  8  5  1  0  0  0  0
  7  6  2  0  0  0  0
 16  6  1  0  0  0  0
  8  7  1  0  0  0  0
 17  7  1  0  0  0  0
 10  9  1  0  0  0  0
 12 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 14  2  0  0  0  0
 20 15  2  0  0  0  0
 21 16  2  0  0  0  0
 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> (1,590)
2873

>  <Formula> (1,590)
C17H16N2O3

>  <MolWeight> (1,590)
296.32054

>  <Item Name> (1,590)
Eslicarbazepine Acetate

>  <Catalog Number> (1,590)
S4657

>  <Synonyms> (1,590)
BIA 2093, Zebinix, Exalief, Stedesa, Aptiom

>  <Target> (1,590)
Others

>  <Form> (1,590)
Free Base

>  <URL> (1,590)
http://www.selleckchem.com/products/eslicarbazepine-acetate.html

>  <CAS Number> (1,590)
236395-14-5

$$$$
S4641 Tedizolid Phosphate.cdx
csChFnd80/10101811552D

 31 34  0  0  0  0  0  0  0  0999 V2000
   15.2414    3.4663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9099    3.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0871    2.7663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9100    1.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2414    2.0663    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4773    5.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3740    1.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6530    1.8128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6871    2.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9871    1.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5871    1.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8871    2.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5871    3.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9871    3.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8871    0.3414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6871    2.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3871    3.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871    3.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871    2.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7871    1.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3871    1.5539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    3.8989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.4663    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7856    0.9899    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.7956    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7755    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  7  8  1  0  0  0  0
  5  7  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 16 17  1  0  0  0  0
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 16 21  2  0  0  0  0
 22 23  1  0  0  0  0
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 16 26  1  0  0  0  0
 12 19  1  0  0  0  0
  3  9  1  0  0  0  0
  8 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,591)
2880

>  <Formula> (1,591)
C17H16FN6O6P

>  <MolWeight> (1,591)
450.3177042

>  <Item Name> (1,591)
Tedizolid Phosphate

>  <Catalog Number> (1,591)
S4641

>  <Synonyms> (1,591)
TR-701FA

>  <Target> (1,591)
Antifection

>  <Form> (1,591)
Free Base

>  <URL> (1,591)
http://www.selleckchem.com/products/tedizolid-phosphate.html

>  <CAS Number> (1,591)
856867-55-5

$$$$
S4634 SULFADIAZINE SODIUM.cdx
csChFnd80/10101811552D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6463    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8587    2.7684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    2.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6463    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    3.4684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5573    1.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1573    3.9832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2013    2.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4342    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2815    2.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    4.8708    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
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    8.4915    3.4682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7105    2.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5003    0.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7105    1.3549    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
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 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,592)
2881

>  <Formula> (1,592)
C10H9N4NaO2S

>  <MolWeight> (1,592)
272.25883

>  <Item Name> (1,592)
Sodium sulfadiazine

>  <Catalog Number> (1,592)
S4634

>  <Synonyms> (1,592)
Sulfadiazin-natrium

>  <Target> (1,592)
Antifection

>  <Form> (1,592)
Sodium salt

>  <URL> (1,592)
http://www.selleckchem.com/products/sodium-sulfadiazine.html

>  <CAS Number> (1,592)
547-32-0

$$$$
S4606 Glutathione.cdx
csChFnd80/10101811552D

 20 19  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 S   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
    8.4870    2.1000    0.0000 C   0  0  2  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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  2  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    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
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    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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 14 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,593)
2883

>  <Formula> (1,593)
C10H17N3O6S

>  <MolWeight> (1,593)
307.32348

>  <Item Name> (1,593)
Glutathione

>  <Catalog Number> (1,593)
S4606

>  <Synonyms> (1,593)
Isethion, Glutathion, Tathion

>  <Target> (1,593)
Others

>  <Form> (1,593)
Free Base

>  <URL> (1,593)
http://www.selleckchem.com/products/glutathione.html

>  <CAS Number> (1,593)
70-18-8

$$$$
Triclosan.cdx
csChFnd80/10101811552D

 17 18  0  0  0  0  0  0  0  0999 V2000
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3380-34-5

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IMR-1.cdx
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http://www.selleckchem.com/products/imr-1.html

>  <CAS Number> (1,595)
310456-65-6

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Wnt/beta-catenin

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http://www.selleckchem.com/products/iq-1.html

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331001-62-8

$$$$
5-Iodotubercidin.cdx
csChFnd80/10101811552D

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NSC 113939, 5-ITu

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Adenosine Receptor

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http://www.selleckchem.com/products/5-iodotubercidin.html

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24386-93-4

$$$$
RS-1.cdx
csChFnd80/10101811552D

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>  <Formula> (1,598)
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312756-74-4

$$$$
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csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,599)
2890

>  <Formula> (1,599)
C24H34O5

>  <MolWeight> (1,599)
402.52376

>  <Item Name> (1,599)
Dehydrocholic acid

>  <Catalog Number> (1,599)
S4562

>  <Synonyms> (1,599)
Decholin, Dehystolin, Felacrinos, Sanocholen

>  <Target> (1,599)
Others

>  <Form> (1,599)
Free Base

>  <URL> (1,599)
http://www.selleckchem.com/products/dehydrocholic-acid.html

>  <CAS Number> (1,599)
81-23-2

$$$$
S4550 Azelaic acid.cdx
csChFnd80/10101811552D

 13 12  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 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,600)
2891

>  <Formula> (1,600)
C9H16O4

>  <MolWeight> (1,600)
188.22094

>  <Item Name> (1,600)
Azelaic acid

>  <Catalog Number> (1,600)
S4550

>  <Synonyms> (1,600)
Nonanedioic acid, Finacea, Azelex, Anchoic acid

>  <Target> (1,600)
Antifection

>  <Form> (1,600)
Free Base

>  <URL> (1,600)
http://www.selleckchem.com/products/azelaic-acid.html

>  <CAS Number> (1,600)
123-99-9

$$$$
S4607 2,2¡ä-Dihydroxy-4-methoxybenzophenone.cdx
csChFnd80/10101811552D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,601)
2892

>  <Formula> (1,601)
C14H12O4

>  <MolWeight> (1,601)
244.24268

>  <Item Name> (1,601)
2,2¡ä-Dihydroxy-4-methoxybenzophenone

>  <Catalog Number> (1,601)
S4607

>  <Synonyms> (1,601)
Dioxybenzone, Dioxybenzon, Advastab 47, Cyasorb UV 24, Benzophenone-8

>  <Target> (1,601)
Others

>  <Form> (1,601)
Free Base

>  <URL> (1,601)
http://www.selleckchem.com/products/2-2-dihydroxy-4-methoxybenzophenone.html

>  <CAS Number> (1,601)
131-53-3

$$$$
S4674 Hydroxyprogesterone caproate.cdx
csChFnd80/10101811552D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,602)
2896

>  <Formula> (1,602)
C27H40O4

>  <MolWeight> (1,602)
428.6041

>  <Item Name> (1,602)
Hydroxyprogesterone caproate

>  <Catalog Number> (1,602)
S4674

>  <Synonyms> (1,602)
17¦Á-Hydroxyprogesterone hexanoate, 17¦Á-Hydroxyprogesterone caproate

>  <Target> (1,602)
Estrogen/progestogen Receptor

>  <Form> (1,602)
Free Base

>  <URL> (1,602)
http://www.selleckchem.com/products/hydroxyprogesterone-caproate.html

>  <CAS Number> (1,602)
630-56-8

$$$$
S4684 Sildenafil.cdx
csChFnd80/10101811552D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,603)
2897

>  <Formula> (1,603)
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>  <MolWeight> (1,603)
474.5764

>  <Item Name> (1,603)
Sildenafil

>  <Catalog Number> (1,603)
S4684

>  <Synonyms> (1,603)
Revatio, UK-92480, Viagra

>  <Target> (1,603)
PDE

>  <Form> (1,603)
Free Base

>  <URL> (1,603)
http://www.selleckchem.com/products/sildenafil.html

>  <CAS Number> (1,603)
139755-83-2

$$$$
S4683 Sildenafil Mesylate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,604)
2898

>  <Formula> (1,604)
C23H34N6O7S2

>  <MolWeight> (1,604)
570.68206

>  <Item Name> (1,604)
Sildenafil Mesylate

>  <Catalog Number> (1,604)
S4683

>  <Synonyms> (1,604)
N/A

>  <Target> (1,604)
PDE

>  <Form> (1,604)
Mesylate

>  <URL> (1,604)
http://www.selleckchem.com/products/sildenafil-mesylate.html

>  <CAS Number> (1,604)
1308285-21-3

$$$$
S4693 Guanfacine Hydrochloride.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,605)
2900

>  <Formula> (1,605)
C9H10Cl3N3O

>  <MolWeight> (1,605)
282.5542

>  <Item Name> (1,605)
Guanfacine Hydrochloride

>  <Catalog Number> (1,605)
S4693

>  <Synonyms> (1,605)
Guanfacine Hydrochloride, Guanfacine, Tenex, Intuniv

>  <Target> (1,605)
5-HT Receptor

>  <Form> (1,605)
hydrochloride

>  <URL> (1,605)
http://www.selleckchem.com/products/guanfacine-hydrochloride.html

>  <CAS Number> (1,605)
29110-48-3

$$$$
S4691 Oxybenzone.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,606)
2901

>  <Formula> (1,606)
C14H12O3

>  <MolWeight> (1,606)
228.24328

>  <Item Name> (1,606)
Oxybenzone

>  <Catalog Number> (1,606)
S4691

>  <Synonyms> (1,606)
Oxybenzone, Eusolex 4360, Escalol 567, KAHSCREEN BZ-3, Benzophenone 3

>  <Target> (1,606)
Others

>  <Form> (1,606)
Free Base

>  <URL> (1,606)
http://www.selleckchem.com/products/oxybenzone.html

>  <CAS Number> (1,606)
131-57-7

$$$$
S4666 Sivelestat sodium.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,607)
2902

>  <Formula> (1,607)
C20H29N2NaO11S

>  <MolWeight> (1,607)
528.50583

>  <Item Name> (1,607)
Sivelestat sodium tetrahydrate

>  <Catalog Number> (1,607)
S4666

>  <Synonyms> (1,607)
Sivelestat sodium, ONO5046-Na, Sodium sivelestat, EI546 sodium, LY544349 sodium

>  <Target> (1,607)
Serine Protease

>  <Form> (1,607)
Sodium salt tetrahydrate

>  <URL> (1,607)
http://www.selleckchem.com/products/sivelestat-sodium.html

>  <CAS Number> (1,607)
201677-61-4

$$$$
S4664 Molsidomine.cdx
csChFnd80/10101811552D

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  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,608)
2903

>  <Formula> (1,608)
C9H14N4O4

>  <MolWeight> (1,608)
242.23186

>  <Item Name> (1,608)
Molsidomine

>  <Catalog Number> (1,608)
S4664

>  <Synonyms> (1,608)
SIN-10, Corvaton, Morsydomine

>  <Target> (1,608)
Others

>  <Form> (1,608)
inner salt

>  <URL> (1,608)
http://www.selleckchem.com/products/molsidomine.html

>  <CAS Number> (1,608)
25717-80-0

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/10101811552D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8488    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6370    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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  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> (1,609)
2907

>  <Formula> (1,609)
C20H26N2O2

>  <MolWeight> (1,609)
326.43264

>  <Item Name> (1,609)
Hydroquinidine

>  <Catalog Number> (1,609)
S4658

>  <Synonyms> (1,609)
Dihydroquinidine, Hydroconchinine, Hydroconquinine, Dihydroquinine

>  <Target> (1,609)
Others

>  <Form> (1,609)
Free Base

>  <URL> (1,609)
http://www.selleckchem.com/products/hydroquinidine.html

>  <CAS Number> (1,609)
1435-55-8

$$$$
S4651 Etoricoxib.cdx
csChFnd80/10101811552D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4871    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
  9  1  2  0  0  0  0
 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> (1,610)
2910

>  <Formula> (1,610)
C18H15ClN2O2S

>  <MolWeight> (1,610)
358.8419

>  <Item Name> (1,610)
Etoricoxib

>  <Catalog Number> (1,610)
S4651

>  <Synonyms> (1,610)
Arcoxia, MK-663, MK-0663, Tauxib, Algix, Nucoxia

>  <Target> (1,610)
COX

>  <Form> (1,610)
Free  Base

>  <URL> (1,610)
http://www.selleckchem.com/products/etoricoxib.html

>  <CAS Number> (1,610)
202409-33-4

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/10101811552D

 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
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    3.6370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  2  0  0  0  0
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  5 10  1  0  0  0  0
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 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 20 24  1  6  0  0  0
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M  END
>  <Mol_ID> (1,611)
2911

>  <Formula> (1,611)
C20H26N2O2

>  <MolWeight> (1,611)
326.43264

>  <Item Name> (1,611)
Dantrolene sodium hemiheptahydrate

>  <Catalog Number> (1,611)
S4648

>  <Synonyms> (1,611)
Dantrolene sodium salt, Dantrium, Sodium dantrolene

>  <Target> (1,611)
Calcium Channel

>  <Form> (1,611)
Sodium salt hemiheptahydrate

>  <URL> (1,611)
http://www.selleckchem.com/products/dantrolene-sodium.html

>  <CAS Number> (1,611)
24868-20-0

$$$$
S4646 Ciclesonide.cdx
csChFnd80/10101811552D

 43 48  0  0  0  0  0  0  0  0999 V2000
    8.8953    4.4001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,612)
2912

>  <Formula> (1,612)
C32H44O7

>  <MolWeight> (1,612)
540.68756

>  <Item Name> (1,612)
Ciclesonide

>  <Catalog Number> (1,612)
S4646

>  <Synonyms> (1,612)
Ciclesonide, Alvesco, Omnaris, RPR251526, Zetonna

>  <Target> (1,612)
Others

>  <Form> (1,612)
Free Base

>  <URL> (1,612)
http://www.selleckchem.com/products/ciclesonide.html

>  <CAS Number> (1,612)
126544-47-6

$$$$
S4637 Prasugrel Hydrochloride.cdx
csChFnd80/10101811552D

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 22  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,613)
2913

>  <Formula> (1,613)
C20H21ClFNO3S

>  <MolWeight> (1,613)
409.9020432

>  <Item Name> (1,613)
Prasugrel Hydrochloride

>  <Catalog Number> (1,613)
S4637

>  <Synonyms> (1,613)
Prasugrel HCl, LY 640315

>  <Target> (1,613)
P2 Receptor

>  <Form> (1,613)
hydrochloride

>  <URL> (1,613)
http://www.selleckchem.com/products/prasugrel-hydrochloride.html

>  <CAS Number> (1,613)
389574-19-0

$$$$
s4515 Ademetionine Ademetionine disulfate tosylate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,614)
2914

>  <Formula> (1,614)
C22H34N6O16S4

>  <MolWeight> (1,614)
766.79596

>  <Item Name> (1,614)
Ademetionine disulfate tosylate 

>  <Catalog Number> (1,614)
S4515

>  <Synonyms> (1,614)
N/A

>  <Target> (1,614)
Others

>  <Form> (1,614)
Disulfate tosylate

>  <URL> (1,614)
http://www.selleckchem.com/products/ademetionine-disulfate-tosylate.html

>  <CAS Number> (1,614)
97540-22-2

$$$$
S4695 D panthenol.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,615)
2915

>  <Formula> (1,615)
C9H19NO4

>  <MolWeight> (1,615)
205.25146

>  <Item Name> (1,615)
D panthenol

>  <Catalog Number> (1,615)
S4695

>  <Synonyms> (1,615)
Dexpanthenol, D-Panthenol, Pantothenol, Ilopan, D-Pantothenyl alcohol

>  <Target> (1,615)
Vitamin

>  <Form> (1,615)
Free Base

>  <URL> (1,615)
http://www.selleckchem.com/products/d-panthenol.html

>  <CAS Number> (1,615)
81-13-0

$$$$
S4682 Loxoprofen.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,616)
2916

>  <Formula> (1,616)
C15H18O3

>  <MolWeight> (1,616)
246.30162

>  <Item Name> (1,616)
Loxoprofen

>  <Catalog Number> (1,616)
S4682

>  <Synonyms> (1,616)
Koloxo, Loxoprofene, Loxoprofeno

>  <Target> (1,616)
COX

>  <Form> (1,616)
Free Base

>  <URL> (1,616)
http://www.selleckchem.com/products/loxoprofen.html

>  <CAS Number> (1,616)
68767-14-6

$$$$
S4680 Protirelin.cdx
csChFnd80/10101811552D

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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> (1,617)
2918

>  <Formula> (1,617)
C16H22N6O4

>  <MolWeight> (1,617)
362.38368

>  <Item Name> (1,617)
Protirelin

>  <Catalog Number> (1,617)
S4680

>  <Synonyms> (1,617)
Thyroliberin, Lopremone, Synthetic TRH, Thyrotropin-releasing hormone, Rifathyroin

>  <Target> (1,617)
Others

>  <Form> (1,617)
Free Base

>  <URL> (1,617)
http://www.selleckchem.com/products/protirelin.html

>  <CAS Number> (1,617)
24305-27-9

$$$$
S4665 Rebeprazole sodium.cdx
csChFnd80/10101811552D

 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> (1,618)
2919

>  <Formula> (1,618)
C18H20N3NaO3S

>  <MolWeight> (1,618)
381.42447

>  <Item Name> (1,618)
Rebeprazole sodium

>  <Catalog Number> (1,618)
S4665

>  <Synonyms> (1,618)
Aciphex Sodium, Dexrabeprazole Sodium, Habeprazole Sodium

>  <Target> (1,618)
Proton Pump

>  <Form> (1,618)
sodium salt

>  <URL> (1,618)
http://www.selleckchem.com/products/rebeprazole-sodium.html

>  <CAS Number> (1,618)
117976-90-6

$$$$
S4663 Fusidate Sodium.cdx
csChFnd80/10101811552D

 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> (1,619)
2920

>  <Formula> (1,619)
C31H47NaO6

>  <MolWeight> (1,619)
538.69105

>  <Item Name> (1,619)
Fusidate Sodium

>  <Catalog Number> (1,619)
S4663

>  <Synonyms> (1,619)
Fucidin, Sodium fusidate, SQ-16360

>  <Target> (1,619)
Antifection

>  <Form> (1,619)
sodium salt

>  <URL> (1,619)
http://www.selleckchem.com/products/fusidate-sodium.html

>  <CAS Number> (1,619)
751-94-0

$$$$
S4601 5-Chloro-8-hydroxy-7-iodoquinoline.cdx
csChFnd80/10101811552D

 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> (1,620)
2921

>  <Formula> (1,620)
C9H5ClINO

>  <MolWeight> (1,620)
305.49957

>  <Item Name> (1,620)
Clioquinol

>  <Catalog Number> (1,620)
S4601

>  <Synonyms> (1,620)
Clioquinol, Iodochlorhydroxyquin, Chinoform

>  <Target> (1,620)
Antifection

>  <Form> (1,620)
Free Base

>  <URL> (1,620)
http://www.selleckchem.com/products/5-chloro-8-hydroxy-7-iodoquinoline.html

>  <CAS Number> (1,620)
130-26-7

$$$$
S4685 Efavirenz.cdx
csChFnd80/10101811552D

 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
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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> (1,621)
2922

>  <Formula> (1,621)
C14H9ClF3NO2

>  <MolWeight> (1,621)
315.6749696

>  <Item Name> (1,621)
Efavirenz

>  <Catalog Number> (1,621)
S4685

>  <Synonyms> (1,621)
Sustiva, Stocrin, DMP-266, DMP 266

>  <Target> (1,621)
Reverse Transcriptase

>  <Form> (1,621)
Free Base

>  <URL> (1,621)
http://www.selleckchem.com/products/efavirenz.html

>  <CAS Number> (1,621)
154598-52-4

$$$$
TRx0237 (LMTX).cdx
csChFnd80/10101811552D

 30 30  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    6.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,622)
2923

>  <Formula> (1,622)
C18H27N3O6S3

>  <MolWeight> (1,622)
477.61848

>  <Item Name> (1,622)
TRx0237 (LMTX) mesylate

>  <Catalog Number> (1,622)
S7762

>  <Synonyms> (1,622)
N/A

>  <Target> (1,622)
Microtubule Associated

>  <Form> (1,622)
Dimesylate

>  <URL> (1,622)
http://www.selleckchem.com/products/trx0237-lmtx.html

>  <CAS Number> (1,622)
1236208-20-0

$$$$
S4696 ArbinoxaMine Maleate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,623)
2924

>  <Formula> (1,623)
C20H23ClN2O5

>  <MolWeight> (1,623)
406.86002

>  <Item Name> (1,623)
arbinoxaMine Maleate

>  <Catalog Number> (1,623)
S4696

>  <Synonyms> (1,623)
N/A

>  <Target> (1,623)
Histamine Receptor

>  <Form> (1,623)
maleate

>  <URL> (1,623)
http://www.selleckchem.com/products/arbinoxamine-maleate.html

>  <CAS Number> (1,623)
3505-38-2

$$$$
S4669 Benzocaine hydrochloride.cdx
csChFnd80/10101811552D

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    1.2124    2.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,624)
2926

>  <Formula> (1,624)
C9H12ClNO2

>  <MolWeight> (1,624)
201.65008

>  <Item Name> (1,624)
Benzocaine hydrochloride

>  <Catalog Number> (1,624)
S4669

>  <Synonyms> (1,624)
Ethyl 4-aminobenzoate hydrochloride, Benzocaine HCl, Ethyl p-aminobenzoate hydrochloride

>  <Target> (1,624)
Sodium Channel

>  <Form> (1,624)
hydrochloride

>  <URL> (1,624)
http://www.selleckchem.com/products/benzocaine-hydrochloride.html

>  <CAS Number> (1,624)
23239-88-5

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/10101811552D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.3681    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)
2928

>  <Formula> (1,625)
C14H23ClN2O

>  <MolWeight> (1,625)
270.79822

>  <Item Name> (1,625)
Lidocaine hydrochloride

>  <Catalog Number> (1,625)
S4667

>  <Synonyms> (1,625)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (1,625)
Others

>  <Form> (1,625)
hydrochloride

>  <URL> (1,625)
http://www.selleckchem.com/products/lidocaine-hydrochloride.html

>  <CAS Number> (1,625)
73-78-9

$$$$
XENAZINE (tetrabenazine).cdx
csChFnd80/10101811552D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,626)
2929

>  <Formula> (1,626)
C19H27NO3

>  <MolWeight> (1,626)
317.42258

>  <Item Name> (1,626)
Tetrabenazine (Nitoman, Xenazine)

>  <Catalog Number> (1,626)
S1789

>  <Synonyms> (1,626)
N/A

>  <Target> (1,626)
5-alpha Reductase

>  <Form> (1,626)
Free Base

>  <URL> (1,626)
http://www.selleckchem.com/products/Tetrabenazine(Nitoman).html

>  <CAS Number> (1,626)
58-46-8

$$$$
S4690 Vitamin E.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,627)
2930

>  <Formula> (1,627)
C29H50O2

>  <MolWeight> (1,627)
430.7061

>  <Item Name> (1,627)
Vitamin E

>  <Catalog Number> (1,627)
S4686

>  <Synonyms> (1,627)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (1,627)
COX,VEGFR

>  <Form> (1,627)
Free Base

>  <URL> (1,627)
http://www.selleckchem.com/products/vitamin-e.html

>  <CAS Number> (1,627)
59-02-9

$$$$
S4689 Deoxycholic acid.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,628)
2931

>  <Formula> (1,628)
C24H40O4

>  <MolWeight> (1,628)
392.572

>  <Item Name> (1,628)
Deoxycholic acid

>  <Catalog Number> (1,628)
S4689

>  <Synonyms> (1,628)
Deoxycholate, Desoxycholic acid, Cholerebic, Cholorebic

>  <Target> (1,628)
Others

>  <Form> (1,628)
Free Base

>  <URL> (1,628)
http://www.selleckchem.com/products/deoxycholic-acid.html

>  <CAS Number> (1,628)
83-44-3

$$$$
Z-IETD-FMK.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,629)
2932

>  <Formula> (1,629)
C32H44F4N4O13

>  <MolWeight> (1,629)
768.7043728

>  <Item Name> (1,629)
Z-IETD-FMK

>  <Catalog Number> (1,629)
S7314

>  <Synonyms> (1,629)
Caspase-8 Inhibitor

>  <Target> (1,629)
Caspase

>  <Form> (1,629)
trifluoroacetat

>  <URL> (1,629)
http://www.selleckchem.com/products/z-ietd-fmk.html

>  <CAS Number> (1,629)
210344-98-2

$$$$
S4697 Saxagliptin hydrate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,630)
2933

>  <Formula> (1,630)
C18H27N3O3

>  <MolWeight> (1,630)
333.42528

>  <Item Name> (1,630)
Saxagliptin hydrate 

>  <Catalog Number> (1,630)
S4697

>  <Synonyms> (1,630)
BMS-477118 hydrate, Onglyza hydrate, BMS 477118 hydrate, BMS477118 hydrate

>  <Target> (1,630)
DPP-4

>  <Form> (1,630)
hydrate

>  <URL> (1,630)
http://www.selleckchem.com/products/saxagliptin-hydrate.html

>  <CAS Number> (1,630)
945667-22-1

$$$$
S4636 Teneligliptin hydrobromide.cdx
csChFnd80/10101811552D

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A   31
2.5HBr
M  END
>  <Mol_ID> (1,631)
2934

>  <Formula> (1,631)
C22H30N6ORS

>  <MolWeight> (1,631)
426.5782

>  <Item Name> (1,631)
Teneligliptin hydrobromide

>  <Catalog Number> (1,631)
S4636

>  <Synonyms> (1,631)
Teneligliptin hydrobromide anhydrous

>  <Target> (1,631)
DPP-4

>  <Form> (1,631)
hydrobromide

>  <URL> (1,631)
http://www.selleckchem.com/products/teneligliptin-hydrobromide.html

>  <CAS Number> (1,631)
906093-29-6

$$$$
S4671 Cefradine.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,632)
2935

>  <Formula> (1,632)
C16H19N3O4S

>  <MolWeight> (1,632)
349.40476

>  <Item Name> (1,632)
Cefradine

>  <Catalog Number> (1,632)
S4671

>  <Synonyms> (1,632)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (1,632)
Antifection

>  <Form> (1,632)
Free Base

>  <URL> (1,632)
http://www.selleckchem.com/products/cefradine.html

>  <CAS Number> (1,632)
38821-53-3

$$$$
CCF642.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,633)
2936

>  <Formula> (1,633)
C15H10N2O4S3

>  <MolWeight> (1,633)
378.4459

>  <Item Name> (1,633)
CCF642

>  <Catalog Number> (1,633)
S8281

>  <Synonyms> (1,633)
AC1LYELL

>  <Target> (1,633)
Thioredoxin

>  <Form> (1,633)
Free Base

>  <URL> (1,633)
http://www.selleckchem.com/products/ccf642.html

>  <CAS Number> (1,633)
346640-08-2

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,634)
2937

>  <Formula> (1,634)
C26H27F4N3O7

>  <MolWeight> (1,634)
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>  <Item Name> (1,634)
Emricasan (IDN-6556, PF-03491390)

>  <Catalog Number> (1,634)
S7775

>  <Synonyms> (1,634)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (1,634)
Caspase

>  <Form> (1,634)
Free Base

>  <URL> (1,634)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

>  <CAS Number> (1,634)
254750-02-2

$$$$
Atazanavir.cdx
csChFnd80/10101811552D

 51 53  0  0  0  0  0  0  0  0999 V2000
    1.2167    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.9073    0.0000 C   0  0  2  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    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7079    4.9073    0.0000 C   0  0  2  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
   12.1328    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    7.7073    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
    9.7079    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    4.2073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5577    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4074    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6198    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5392    8.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7559    7.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9725    8.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9725    9.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7559   10.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5392    9.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3268    7.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1850   10.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4016    9.6011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6183   10.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6183   11.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4016   12.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1850   11.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    1.4073    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
  4  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
  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
  6 14  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 10 18  1  6  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
 11 25  1  1  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  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
 35 41  1  0  0  0  0
 13 41  1  0  0  0  0
 38 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 42  1  0  0  0  0
 28 48  1  1  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48 51  1  0  0  0  0
M  END
>  <Mol_ID> (1,635)
2938

>  <Formula> (1,635)
C38H52N6O7

>  <MolWeight> (1,635)
704.85548

>  <Item Name> (1,635)
Atazanavir

>  <Catalog Number> (1,635)
S4662

>  <Synonyms> (1,635)
Latazanavir, Zrivada, Reyataz, BMS-232632

>  <Target> (1,635)
HIV Protease

>  <Form> (1,635)
Free Base

>  <URL> (1,635)
http://www.selleckchem.com/products/atazanavir-reyataz.html

>  <CAS Number> (1,635)
198904-31-3

$$$$
Kanamycin sulfate.cdx
csChFnd80/10101811552D

 40 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.3451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    5.9451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    5.2451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    5.9451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.3451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    8.0451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    8.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.3427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    5.9427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    5.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.9427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    7.3427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2662    8.0427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6911    5.2427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    5.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    7.3427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6911    8.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    5.2427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3284    5.9427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3284    7.3427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1159    8.0427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    9.4403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    8.7427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    8.0403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    3.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.6451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    5.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    9.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    3.1476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0457    1.3951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0457    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0457    2.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4408    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  1  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
  6 22  1  1  0  0  0
  2 23  1  1  0  0  0
 16 24  1  1  0  0  0
 20 25  1  1  0  0  0
 18 26  1  1  0  0  0
  1 27  1  6  0  0  0
  5 28  1  6  0  0  0
  3 29  1  6  0  0  0
  9 30  1  6  0  0  0
 19 31  1  6  0  0  0
 21 32  1  6  0  0  0
 26 33  1  0  0  0  0
 29 34  1  0  0  0  0
 13 35  1  6  0  0  0
 36 37  2  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 36 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,636)
2939

>  <Formula> (1,636)
C18H38N4O15S

>  <MolWeight> (1,636)
582.57712

>  <Item Name> (1,636)
Kanamycin sulfate

>  <Catalog Number> (1,636)
S2315

>  <Synonyms> (1,636)
Kanamycin monosulfate

>  <Target> (1,636)
Antifection

>  <Form> (1,636)
sulfate

>  <URL> (1,636)
http://www.selleckchem.com/products/Kanamycin-sulfate(Kantrex).html

>  <CAS Number> (1,636)
25389-94-0

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/10101811552D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  1 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,637)
2940

>  <Formula> (1,637)
C15H10O4

>  <MolWeight> (1,637)
254.2375

>  <Item Name> (1,637)
7,8-Dihydroxyflavone

>  <Catalog Number> (1,637)
S8319

>  <Synonyms> (1,637)
7,8-DHF

>  <Target> (1,637)
Trk receptor

>  <Form> (1,637)
Free Base

>  <URL> (1,637)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

>  <CAS Number> (1,637)
38183-03-8

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/10101811552D

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    6.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    7.1703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    8.3030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   10.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.6631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    5.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    5.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    7.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    8.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    8.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    7.1703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8695    5.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    5.9579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9695    7.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,638)
2941

>  <Formula> (1,638)
C26H28N4O4S

>  <MolWeight> (1,638)
492.58992

>  <Item Name> (1,638)
MK-4827(Niraparib) tosylate

>  <Catalog Number> (1,638)
S7625

>  <Synonyms> (1,638)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (1,638)
PARP

>  <Form> (1,638)
4-?methylbenzen

>  <URL> (1,638)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

>  <CAS Number> (1,638)
1038915-73-9

$$$$
Polymyxin B sulphate.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,639)
2942

>  <Formula> (1,639)
C56H100N16O17S

>  <MolWeight> (1,639)
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>  <Item Name> (1,639)
Polymyxin B sulphate

>  <Catalog Number> (1,639)
S1395

>  <Synonyms> (1,639)
Aerosporin, PMB, Poly-RX

>  <Target> (1,639)
Antifection

>  <Form> (1,639)
sulfate

>  <URL> (1,639)
http://www.selleckchem.com/products/Polymyxin-B-sulphate.html

>  <CAS Number> (1,639)
1405-20-5, 4135-11-9 (free base)

$$$$
ITSA-1 (ITSA1).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,640)
2943

>  <Formula> (1,640)
C13H7Cl2N3O

>  <MolWeight> (1,640)
292.12018

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ITSA-1 (ITSA1)

>  <Catalog Number> (1,640)
S8323

>  <Synonyms> (1,640)
N/A

>  <Target> (1,640)
HDAC

>  <Form> (1,640)
Free Base

>  <URL> (1,640)
http://www.selleckchem.com/products/itsa-1-itsa1.html

>  <CAS Number> (1,640)
200626-61-5

$$$$
MLR-1023.cdx
csChFnd80/10101811552D

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Caspase

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1448428-04-3

$$$$
Rivastigmine.cdx
csChFnd80/10101811552D

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AChR

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Free Base

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

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123441-03-2

$$$$
Epoxomicin.cdx
csChFnd80/10101811552D

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N/A

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Proteasome

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Free Base

>  <URL> (1,647)
http://www.selleckchem.com/products/epoxomicin-bu-4061t.html

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134381-21-8

$$$$
Tazobactam.cdx
csChFnd80/10101811552D

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2954

>  <Formula> (1,648)
C10H12N4O5S

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Tazobactam

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S3077

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N/A

>  <Target> (1,648)
Antifection

>  <Form> (1,648)
Free Base

>  <URL> (1,648)
http://www.selleckchem.com/products/tazobactam.html

>  <CAS Number> (1,648)
89786-04-9, 89785-84-2 (sodium salt)

$$$$
S4673 Etonogestrel.cdx
csChFnd80/10101811552D

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>  <Formula> (1,649)
C22H28O2

>  <MolWeight> (1,649)
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Implanon, Nexplanon, 3-Oxodesogestrel, 3-keto-Desogestrel

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Estrogen/progestogen Receptor

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Free Base

>  <URL> (1,649)
http://www.selleckchem.com/products/etonogestrel.html

>  <CAS Number> (1,649)
54048-10-1

$$$$
S4686 Escin.cdx
csChFnd80/10101811552D

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$$$$
Melphalan.cdx
csChFnd80/10101811552D

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Free Base

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

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148-82-3

$$$$
SIS3.cdx
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N/A

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TGF-beta/Smad

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hydrochloride

>  <URL> (1,660)
http://www.selleckchem.com/products/sis3.html

>  <CAS Number> (1,660)
521984-48-5

$$$$
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>  <Formula> (1,662)
C12H15N2O11V

>  <MolWeight> (1,662)
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>  <Item Name> (1,662)
VO-Ohpic trihydrate

>  <Catalog Number> (1,662)
S8174

>  <Synonyms> (1,662)
N/A

>  <Target> (1,662)
Others

>  <Form> (1,662)
trihydrate

>  <URL> (1,662)
http://www.selleckchem.com/products/vo-ohpic.html

>  <CAS Number> (1,662)
476310-60-8

$$$$
S4716 Evans Blue.cdx
csChFnd80/10101811552D

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>  <Formula> (1,663)
C34H24N6Na4O14S4

>  <MolWeight> (1,663)
960.80524

>  <Item Name> (1,663)
Evans Blue

>  <Catalog Number> (1,663)
S4716

>  <Synonyms> (1,663)
Direct Blue 53

>  <Target> (1,663)
GluR

>  <Form> (1,663)
sodium salt

>  <URL> (1,663)
http://www.selleckchem.com/products/evans-blue.html

>  <CAS Number> (1,663)
314-13-6

$$$$
S4711 Esculetin.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,664)
2981

>  <Formula> (1,664)
C9H6O4

>  <MolWeight> (1,664)
178.14154

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Esculetin

>  <Catalog Number> (1,664)
S4711

>  <Synonyms> (1,664)
Cichorigenin|Aesculetin

>  <Target> (1,664)
Others

>  <Form> (1,664)
Free Base

>  <URL> (1,664)
http://www.selleckchem.com/products/esculetin.html

>  <CAS Number> (1,664)
305-01-1

$$$$
S4728 3,3'-Diindolylmethane.cdx
csChFnd80/10101811552D

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2983

>  <Formula> (1,665)
C17H14N2

>  <MolWeight> (1,665)
246.30646

>  <Item Name> (1,665)
3,3'-Diindolylmethane

>  <Catalog Number> (1,665)
S4728

>  <Synonyms> (1,665)
DIM

>  <Target> (1,665)
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>  <Form> (1,665)
Free Base

>  <URL> (1,665)
http://www.selleckchem.com/products/3-3-diindolylmethane.html

>  <CAS Number> (1,665)
1968-05-4

$$$$
S4717 Isatin.cdx
csChFnd80/10101811552D

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>  <Formula> (1,666)
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>  <CAS Number> (1,666)
91-56-5

$$$$
S4715 Benzamide.cdx
csChFnd80/10101811552D

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55-21-0

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>  <Target> (1,668)
Epigenetic Reader Domain

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Free Base

>  <URL> (1,668)
http://www.selleckchem.com/products/bi-9564.html

>  <CAS Number> (1,668)
1883429-22-8

$$$$
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csChFnd80/10101811552D

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EGFR

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http://www.selleckchem.com/products/eai045.html

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1942114-09-1

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csChFnd80/10101811552D

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517-89-5

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csChFnd80/10101811552D

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

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98-10-2

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   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
    7.2746    7.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    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
  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  2  0  0  0  0
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 13 14  1  0  0  0  0
 14  9  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
  6 19  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  1  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  7 25  2  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
 26 29  1  0  0  0  0
  9 30  1  1  0  0  0
  8 31  1  1  0  0  0
M  END
>  <Mol_ID> (1,684)
3018

>  <Formula> (1,684)
C23H22O6

>  <MolWeight> (1,684)
394.41718

>  <Item Name> (1,684)
Deguelin

>  <Catalog Number> (1,684)
S8132

>  <Synonyms> (1,684)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (1,684)
Akt

>  <Form> (1,684)
Free Base

>  <URL> (1,684)
http://www.selleckchem.com/products/deguelin.html

>  <CAS Number> (1,684)
522-17-8

$$$$
S4700 4-Aminobutyric acid.cdx
csChFnd80/10101811552D

  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
    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
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,685)
3019

>  <Formula> (1,685)
C4H9NO2

>  <MolWeight> (1,685)
103.11976

>  <Item Name> (1,685)
4-Aminobutyric acid

>  <Catalog Number> (1,685)
S4700

>  <Synonyms> (1,685)
4-Aminobutanoic acid, GABA, Gamma-aminobutyric acid, Piperidic acid

>  <Target> (1,685)
GABA Receptor

>  <Form> (1,685)
Free Base

>  <URL> (1,685)
http://www.selleckchem.com/products/4-aminobutyric-acid.html

>  <CAS Number> (1,685)
56-12-2

$$$$
S4702 Sarcosine.cdx
csChFnd80/10101811552D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  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> (1,686)
3021

>  <Formula> (1,686)
C3H7NO2

>  <MolWeight> (1,686)
89.09318

>  <Item Name> (1,686)
Sarcosine

>  <Catalog Number> (1,686)
S4702

>  <Synonyms> (1,686)
N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (1,686)
NMDAR

>  <Form> (1,686)
Free Base

>  <URL> (1,686)
http://www.selleckchem.com/products/sarcosine.html

>  <CAS Number> (1,686)
107-97-1

$$$$
S4710 Picolinamide.cdx
csChFnd80/10101811552D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,687)
3025

>  <Formula> (1,687)
C6H6N2O

>  <MolWeight> (1,687)
122.12464

>  <Item Name> (1,687)
Picolinamide

>  <Catalog Number> (1,687)
S4710

>  <Synonyms> (1,687)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (1,687)
PARP

>  <Form> (1,687)
Free Base

>  <URL> (1,687)
http://www.selleckchem.com/products/picolinamide.html

>  <CAS Number> (1,687)
1452-77-3

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/10101811552D

 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  2  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    8.4871    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
    8.4871    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
   10.9119    1.4000    0.0000 O   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
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  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  6  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 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> (1,688)
3026

>  <Formula> (1,688)
C15H14O6

>  <MolWeight> (1,688)
290.26806

>  <Item Name> (1,688)
(+)-Catechin hydrate

>  <Catalog Number> (1,688)
S3974

>  <Synonyms> (1,688)
N/A

>  <Target> (1,688)
Others

>  <Form> (1,688)
hydrate 

>  <URL> (1,688)
http://selleckchem.com/products/catechin-hydrate.html

>  <CAS Number> (1,688)
225937-10-0

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/10101811552D

 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
    8.4828    2.7976    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
 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> (1,689)
3028

>  <Formula> (1,689)
C21H26ClN3OS

>  <MolWeight> (1,689)
403.96864

>  <Item Name> (1,689)
Perphenazine

>  <Catalog Number> (1,689)
S4731

>  <Synonyms> (1,689)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (1,689)
Dopamine Receptor

>  <Form> (1,689)
Free Base

>  <URL> (1,689)
http://www.selleckchem.com/products/perphenazine.html

>  <CAS Number> (1,689)
58-39-9

$$$$
Voreloxin  SNS-595.cdx
csChFnd80/10101811552D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 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    0.0000    0.0000 O   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
    4.7699    6.4229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    6.4229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    4.6710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0028    5.8834    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6334    5.5923    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
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   12.0951    4.5246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9180    5.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7831    1.2138    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  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
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  8  9  2  0  0  0  0
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 10  2  1  0  0  0  0
  9 11  1  0  0  0  0
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 21 25  1  6  0  0  0
 20 26  1  1  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,690)
3030

>  <Formula> (1,690)
C18H20ClN5O4S

>  <MolWeight> (1,690)
437.9005

>  <Item Name> (1,690)
Voreloxin (SNS-595) hydrochloride

>  <Catalog Number> (1,690)
S7518

>  <Synonyms> (1,690)
N/A

>  <Target> (1,690)
Topoisomerase

>  <Form> (1,690)
hydrochloride

>  <URL> (1,690)
http://www.selleckchem.com/products/voreloxin-sns-595.html

>  <CAS Number> (1,690)
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$$$$
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M  END
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>  <Formula> (1,694)
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>  <Target> (1,694)
Transferase

>  <Form> (1,694)
trifluoroacetat

>  <URL> (1,694)
http://www.selleckchem.com/products/ggti-298.html

>  <CAS Number> (1,694)
1217457-86-7

$$$$
Pamapimod.cdx
csChFnd80/10101811552D

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Pamapimod (R-1503, Ro4402257)

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>  <Synonyms> (1,695)
N/A

>  <Target> (1,695)
p38 MAPK

>  <Form> (1,695)
Free Base

>  <URL> (1,695)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

>  <CAS Number> (1,695)
449811-01-2

$$$$
ML390.cdx
csChFnd80/10101811552D

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>  <Formula> (1,696)
C21H21F3N2O3

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>  <Synonyms> (1,696)
N/A

>  <Target> (1,696)
Dehydrogenase

>  <Form> (1,696)
Free Base

>  <URL> (1,696)
http://www.selleckchem.com/products/ml390.html

$$$$
AS101.cdx
csChFnd80/10101811552D

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AS101

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N/A

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Others

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Coordination Co

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http://www.selleckchem.com/products/as101.html

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106566-58-9

$$$$
OICR-9429.cdx
csChFnd80/10101811552D

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>  <Formula> (1,698)
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OICR-9429

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Histone Methyltransferase

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Free Base

>  <URL> (1,698)
http://www.selleckchem.com/products/oicr-9429.html

>  <CAS Number> (1,698)
1801787-56-3

$$$$
BDA-366.cdx
csChFnd80/10101811552D

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Histone Methyltransferase

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Free Base

>  <URL> (1,702)
http://www.selleckchem.com/products/cpi-1205.html

>  <CAS Number> (1,702)
1621862-70-1

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115103-85-0

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N/A

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Estrogen/progestogen Receptor

>  <Form> (1,704)
Free Base

>  <URL> (1,704)
http://www.selleckchem.com/products/azd9496.html

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1639042-08-2

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ROCK

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hydrochloride

>  <URL> (1,705)
http://www.selleckchem.com/products/gsk269962.html

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M  END
>  <Mol_ID> (1,706)
3052

>  <Formula> (1,706)
C16H14BrNO5S

>  <MolWeight> (1,706)
412.25506

>  <Item Name> (1,706)
NT157

>  <Catalog Number> (1,706)
S8228

>  <Synonyms> (1,706)
N/A

>  <Target> (1,706)
IGF-1R

>  <Form> (1,706)
Free Base

>  <URL> (1,706)
http://www.selleckchem.com/products/nt157.html

>  <CAS Number> (1,706)
1384426-12-3

$$$$
PD-1PD-L1 Inhibitor 3.cdx
csChFnd80/10101811552D

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>  <Formula> (1,716)
C27H26N2O4S

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MX69

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S8403

>  <Synonyms> (1,716)
N/A

>  <Target> (1,716)
Mdm2

>  <Form> (1,716)
Free Base

>  <URL> (1,716)
http://www.selleckchem.com/products/mx69.html

>  <CAS Number> (1,716)
1005264-47-0

$$$$
CA-074 methyl ester.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,717)
3066

>  <Formula> (1,717)
C19H31N3O6

>  <MolWeight> (1,717)
397.46594

>  <Item Name> (1,717)
CA-074 methyl ester (CA-074 Me)

>  <Catalog Number> (1,717)
S7420

>  <Synonyms> (1,717)
Cathepsin B Inhibitor IV

>  <Target> (1,717)
Cysteine Protease

>  <Form> (1,717)
Free Base

>  <URL> (1,717)
http://www.selleckchem.com/products/ca-074-methyl-ester.html

>  <CAS Number> (1,717)
147859-80-1

$$$$
NS-398 (NS398).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,718)
3067

>  <Formula> (1,718)
C13H18N2O5S

>  <MolWeight> (1,718)
314.35742

>  <Item Name> (1,718)
NS-398 (NS398)

>  <Catalog Number> (1,718)
S8433

>  <Synonyms> (1,718)
N-(2-cyclohexyloxy-4-nitrophenyl)methane sulfonamide

>  <Target> (1,718)
COX

>  <Form> (1,718)
Free Base

>  <URL> (1,718)
http://www.selleckchem.com/products/ns-398-ns398.html

>  <CAS Number> (1,718)
123653-11-2

$$$$
ML-7.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,719)
3068

>  <Formula> (1,719)
C15H18ClIN2O2S

>  <MolWeight> (1,719)
452.73809

>  <Item Name> (1,719)
ML-7 HCl

>  <Catalog Number> (1,719)
S8388

>  <Synonyms> (1,719)
N/A

>  <Target> (1,719)
Others

>  <Form> (1,719)
hydrochloride

>  <URL> (1,719)
http://www.selleckchem.com/products/ml-7.html

>  <CAS Number> (1,719)
110448-33-4

$$$$
Etomoxir (Na salt).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,720)
3070

>  <Formula> (1,720)
C15H18ClNaO4

>  <MolWeight> (1,720)
320.74379

>  <Item Name> (1,720)
Etomoxir (Na salt)

>  <Catalog Number> (1,720)
S8244

>  <Synonyms> (1,720)
N/A

>  <Target> (1,720)
Transferase

>  <Form> (1,720)
sodium salt

>  <URL> (1,720)
http://www.selleckchem.com/products/etomoxir-na-salt.html

>  <CAS Number> (1,720)
828934-41-4

$$$$
CC-115.cdx
csChFnd80/10101811552D

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Retigabine

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N-(2-amino-4-[fluorobenzylamino]-phenyl) carbamic acid|D-23129

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Potassium Channel

>  <Form> (1,725)
Free Base

>  <URL> (1,725)
http://www.selleckchem.com/products/retigabine.html

>  <CAS Number> (1,725)
150812-12-7

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Free Base

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http://www.selleckchem.com/products/lm10.html

>  <CAS Number> (1,726)
1316695-35-8

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csChFnd80/10101811552D

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http://www.selleckchem.com/products/jnj-42756493-erdafitinib.html

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1346242-81-6

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Apoptosis Activator VII

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HSP

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1054543-47-3

$$$$
Y-39983 HCl.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,729)
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>  <Formula> (1,729)
C16H18Cl2N4O

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>  <Item Name> (1,729)
Y-39983 HCl

>  <Catalog Number> (1,729)
S7935

>  <Synonyms> (1,729)
Y-33075 HCl

>  <Target> (1,729)
ROCK

>  <Form> (1,729)
dihydrochloride

>  <URL> (1,729)
http://www.selleckchem.com/products/y-39983-hcl.html

>  <CAS Number> (1,729)
173897-44-4

$$$$
APR-246 (PRIMA-1MET).cdx
csChFnd80/10101811552D

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3084

>  <Formula> (1,730)
C10H17NO3

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APR-246 (PRIMA-1MET)

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S7724

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N/A

>  <Target> (1,730)
p53

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Free Base

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http://www.selleckchem.com/products/apr-246-prima-1met.html

>  <CAS Number> (1,730)
5291-32-7

$$$$
S4736 Trapidil.cdx
csChFnd80/10101811552D

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Trapidil

>  <Catalog Number> (1,731)
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Rocornal, Trapymin, Avantrin, Trapymine

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PDGFR

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Free Base

>  <URL> (1,731)
http://www.selleckchem.com/products/trapidil.html

>  <CAS Number> (1,731)
15421-84-8

$$$$
MS049.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,732)
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>  <Formula> (1,732)
C15H26Cl2N2O

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MS049

>  <Catalog Number> (1,732)
S8147

>  <Synonyms> (1,732)
N/A

>  <Target> (1,732)
Histone Methyltransferase

>  <Form> (1,732)
dihydrochloride

>  <URL> (1,732)
http://www.selleckchem.com/products/ms049.html

>  <CAS Number> (1,732)
1502816-23-0(free base)

$$$$
CeMMEC1.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,733)
3087

>  <Formula> (1,733)
C19H17ClN2O4

>  <MolWeight> (1,733)
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>  <Item Name> (1,733)
CeMMEC1 HCl

>  <Catalog Number> (1,733)
S8328

>  <Synonyms> (1,733)
N/A

>  <Target> (1,733)
DNA/RNA Synthesis

>  <Form> (1,733)
hydrochloride

>  <URL> (1,733)
http://www.selleckchem.com/products/cemmec1.html

>  <CAS Number> (1,733)
440662-09-9(free base)

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,734)
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>  <Formula> (1,734)
C21H20N2O3S

>  <MolWeight> (1,734)
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>  <Item Name> (1,734)
ZINC00881524 (ROCK inhibitor)

>  <Catalog Number> (1,734)
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>  <Synonyms> (1,734)
N/A

>  <Target> (1,734)
ROCK

>  <Form> (1,734)
Free Base

>  <URL> (1,734)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

>  <CAS Number> (1,734)
557782-81-7

$$$$
STO-609.cdx
csChFnd80/10101811552D

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Histone Methyltransferase

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Free Base

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http://www.selleckchem.com/products/unc0638.html

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1255580-76-7

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PI3K

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http://www.selleckchem.com/products/gsk2269557.html

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1254036-71-9

$$$$
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Jervine

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11-Ketocyclopamine

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Hedgehog/Smoothened

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Free Base

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

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469-59-0

$$$$
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20-Epiprotopanaxadiol

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Free Base

>  <URL> (1,742)
http://www.selleckchem.com/products/20s-protopanaxadiol.html

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30636-90-9

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Tetrahydroxystilbene, 2,3',4,5'-tetrahydroxystilbene

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Free Base

>  <URL> (1,743)
http://www.selleckchem.com/products/oxyresveratrol.html

>  <CAS Number> (1,743)
29700-22-9

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Monastrol.cdx
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Monastrol

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S8439

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N/A

>  <Target> (1,744)
Kinesin

>  <Form> (1,744)
Free Base

>  <URL> (1,744)
http://www.selleckchem.com/products/monastrol.html

>  <CAS Number> (1,744)
329689-23-8

$$$$
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LY3039478

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N/A

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Gamma-secretase

>  <Form> (1,745)
Free Base

>  <URL> (1,745)
http://www.selleckchem.com/products/ly3039478.html

>  <CAS Number> (1,745)
1421438-81-4

$$$$
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>  <Formula> (1,746)
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>  <Item Name> (1,746)
EPZ020411 2HCl

>  <Catalog Number> (1,746)
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>  <Synonyms> (1,746)
N/A

>  <Target> (1,746)
Histone Methyltransferase

>  <Form> (1,746)
dihydrochloride

>  <URL> (1,746)
http://www.selleckchem.com/products/epz020411.html

>  <CAS Number> (1,746)
1700663-41-7(free base)

$$$$
S49076.cdx
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1400W 2HCl

>  <Catalog Number> (1,751)
S8337

>  <Synonyms> (1,751)
N-(3-(Aminomethyl)benzyl)acetamidine

>  <Target> (1,751)
Others

>  <Form> (1,751)
dihydrochloride

>  <URL> (1,751)
http://www.selleckchem.com/products/1400w.html

>  <CAS Number> (1,751)
214358-33-5

$$$$
ARQ 092.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,752)
3113

>  <Formula> (1,752)
C27H25ClN6

>  <MolWeight> (1,752)
468.9806

>  <Item Name> (1,752)
Miransertib (ARQ 092)HCl

>  <Catalog Number> (1,752)
S8339

>  <Synonyms> (1,752)
Miransertib

>  <Target> (1,752)
Akt

>  <Form> (1,752)
hydrochloride

>  <URL> (1,752)
http://www.selleckchem.com/products/arq-092.html

>  <CAS Number> (1,752)
1313883-00-9

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,753)
3117

>  <Formula> (1,753)
C21H25N7O

>  <MolWeight> (1,753)
391.4695

>  <Item Name> (1,753)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Catalog Number> (1,753)
S8456

>  <Synonyms> (1,753)
N/A

>  <Target> (1,753)
PI3K

>  <Form> (1,753)
Free Base

>  <URL> (1,753)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

>  <CAS Number> (1,753)
1383716-46-8

$$$$
KRIBB11.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,754)
3118

>  <Formula> (1,754)
C13H12N6O2

>  <MolWeight> (1,754)
284.27338

>  <Item Name> (1,754)
KRIBB11

>  <Catalog Number> (1,754)
S8402

>  <Synonyms> (1,754)
N/A

>  <Target> (1,754)
HSP (e.g. HSP90)

>  <Form> (1,754)
Free Base

>  <URL> (1,754)
http://www.selleckchem.com/products/kribb11.html

>  <CAS Number> (1,754)
342639-96-7

$$$$
BP-1-102.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,755)
3119

>  <Formula> (1,755)
C29H27F5N2O6S

>  <MolWeight> (1,755)
626.591496

>  <Item Name> (1,755)
BP-1-102

>  <Catalog Number> (1,755)
S7769

>  <Synonyms> (1,755)
N/A

>  <Target> (1,755)
STAT

>  <Form> (1,755)
Free Base

>  <URL> (1,755)
http://www.selleckchem.com/products/bp-1-102.html

>  <CAS Number> (1,755)
1334493-07-0

$$$$
OTS514.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,756)
3121

>  <Formula> (1,756)
C21H21ClN2O2S

>  <MolWeight> (1,756)
400.92164

>  <Item Name> (1,756)
OTS514 hydrochloride

>  <Catalog Number> (1,756)
S7652

>  <Synonyms> (1,756)
N/A

>  <Target> (1,756)
TOPK

>  <Form> (1,756)
hydrochloride

>  <URL> (1,756)
http://www.selleckchem.com/products/ots514.html

>  <CAS Number> (1,756)
1338540-63-8(free base)

$$$$
SAR-020106.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,757)
3122

>  <Formula> (1,757)
C19H19ClN6O

>  <MolWeight> (1,757)
382.84676

>  <Item Name> (1,757)
SAR-020106

>  <Catalog Number> (1,757)
S7740

>  <Synonyms> (1,757)
N/A

>  <Target> (1,757)
Chk

>  <Form> (1,757)
Free Base

>  <URL> (1,757)
http://www.selleckchem.com/products/sar-020106.html

>  <CAS Number> (1,757)
1184843-57-9

$$$$
Importazole.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,758)
3123

>  <Formula> (1,758)
C20H22N4

>  <MolWeight> (1,758)
318.41548

>  <Item Name> (1,758)
Importazole

>  <Catalog Number> (1,758)
S8446

>  <Synonyms> (1,758)
N/A

>  <Target> (1,758)
Others

>  <Form> (1,758)
Free Base

>  <URL> (1,758)
http://www.selleckchem.com/products/importazole.html

>  <CAS Number> (1,758)
662163-81-7

$$$$
MI-463.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,759)
3124

>  <Formula> (1,759)
C24H23F3N6S

>  <MolWeight> (1,759)
484.5398296

>  <Item Name> (1,759)
MI-463

>  <Catalog Number> (1,759)
S7816

>  <Synonyms> (1,759)
N/A

>  <Target> (1,759)
Histone Methyltransferase

>  <Form> (1,759)
Free Base

>  <URL> (1,759)
http://www.selleckchem.com/products/mi-463.html

>  <CAS Number> (1,759)
1628317-18-9

$$$$
RRx-001.cdx
csChFnd80/10101811552D

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Citalopram HBr

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Nitalapram HBr, Prepram HBr, Bonitrile HBr, Lu 10-171 HBr

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5-HT Receptor

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hydrobromide

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http://www.selleckchem.com/products/citalopram-hbr.html

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59729-32-7

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N/A

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Kinesin

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Free Base

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http://www.selleckchem.com/products/bay-1217389.html

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1554458-53-5

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csChFnd80/10101811552D

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1453834-21-3

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1439901-97-9

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155558-32-0 (HCl salt)

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1532533-67-7

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csChFnd80/10101811552D

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HIF

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1187990-87-9
1187990-87-9
1187990-87-9

$$$$
Imidapril hydrochloride.cdx
csChFnd80/10101811552D

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>  <Target> (1,787)
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>  <URL> (1,787)
http://www.selleckchem.com/products/imidapril-tanatril.html

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89396-94-1

$$$$
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csChFnd80/10101811552D

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iodine

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25655-41-8

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/10101811552D

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N/A

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EGFR

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Free Base

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DNA/RNA Synthesis

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1290541-46-6

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csChFnd80/10101811552D

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N/A

>  <Target> (1,791)
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dihydrochloride

>  <URL> (1,791)
http://www.selleckchem.com/products/ots964.html

>  <CAS Number> (1,791)
1338545-07-5(HCl salt)

$$$$
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JNK-930|JNKI-1

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JNK

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hydrochloride

>  <URL> (1,792)
http://www.selleckchem.com/products/cc-930.html

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899805-25-5 (free base)

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M  END
>  <Mol_ID> (1,802)
3184

>  <Formula> (1,802)
C28H30N2O8

>  <MolWeight> (1,802)
522.5464

>  <Item Name> (1,802)
Azatadine dimaleate

>  <Catalog Number> (1,802)
S3186

>  <Synonyms> (1,802)
SCH10649

>  <Target> (1,802)
Histamine Receptor

>  <Form> (1,802)
Dimaleate

>  <URL> (1,802)
http://www.selleckchem.com/products/azatadine-dimaleate.html

>  <CAS Number> (1,802)
3978-86-7

$$$$
PRT-060318 (PRT318).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,803)
3185

>  <Formula> (1,803)
C18H26Cl2N6O

>  <MolWeight> (1,803)
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>  <Item Name> (1,803)
PRT-060318 (PRT318)

>  <Catalog Number> (1,803)
S7738

>  <Synonyms> (1,803)
PRT318

>  <Target> (1,803)
Syk

>  <Form> (1,803)
hydrochloride salt

>  <URL> (1,803)
http://www.selleckchem.com/products/prt-060318-prt318-3hcl.html

>  <CAS Number> (1,803)
1194961-19-7 (free base)

$$$$
BIX01294 3HCl.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,804)
3186

>  <Formula> (1,804)
C28H41Cl3N6O2

>  <MolWeight> (1,804)
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>  <Item Name> (1,804)
BIX 01294

>  <Catalog Number> (1,804)
S8006

>  <Synonyms> (1,804)
N/A

>  <Target> (1,804)
Histone Methyltransferase

>  <Form> (1,804)
trihydrochloride

>  <URL> (1,804)
http://www.selleckchem.com/products/bix-01294.html

>  <CAS Number> (1,804)
1392399-03-9

$$$$
CFI-400945.cdx
csChFnd80/10101811552D

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1338806-73-7

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GLUT

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Free Base

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1799753-84-6

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Immunology & Inflammation related

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trifluoroacetate

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http://www.selleckchem.com/products/cl-amidine.html

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1043444-18-3

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AZD5153

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Epigenetic Reader Domain

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2-Naphthalenecarboxylic acid

>  <URL> (1,808)
http://www.selleckchem.com/products/azd5153.html

>  <CAS Number> (1,808)
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dihydrochloride

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1234015-54-3

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free base

>  <URL> (1,834)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

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free base

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N/A

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PI3K¦Á 

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>  <CAS Number> (1,847)
1268454-23-4

$$$$
¦Á-cyano-4-hydroxycinnamic acid(¦Á-CHCA).cdx
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¦Á-cyano-4-hydroxycinnamic acid(¦Á-CHCA)

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MCT

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free base

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28166-41-8

$$$$
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csChFnd80/10101811552D

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PDK

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http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

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2156-56-1

$$$$
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csChFnd80/10101811552D

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>  <Formula> (1,850)
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ALK,TRK

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1357920-84-3

$$$$
HJC0152.cdx
csChFnd80/10101811552D

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hydrochloride

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http://www.selleckchem.com/products/hjc0152.html

>  <CAS Number> (1,851)
1420290-99-8

$$$$
Autophinib.cdx
csChFnd80/10101811552D

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>  <Synonyms> (1,852)
N/A

>  <Target> (1,852)
autophagy

>  <Form> (1,852)
free base

>  <URL> (1,852)
http://www.selleckchem.com/products/autophinib.html

>  <CAS Number> (1,852)
1644443-47-9

$$$$
BGB-283.cdx
csChFnd80/10101811552D

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Beigene-283

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RAF,EGFR

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free base

>  <URL> (1,853)
http://www.selleckchem.com/products/bgb-283-bgb283.html

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1446090-79-4

$$$$
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http://www.selleckchem.com/products/lw-6.html

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934593-90-5

$$$$
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1802929-43-6

$$$$
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csChFnd80/10101811552D

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IDH1,IDH2 

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1644545-52-7

$$$$
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Met,ALK 

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1370651-20-9

$$$$
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1859141-26-6

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M  END
>  <Mol_ID> (1,867)
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>  <Formula> (1,867)
C22H27N7O2S

>  <MolWeight> (1,867)
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>  <Item Name> (1,867)
LY3214996

>  <Catalog Number> (1,867)
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>  <Synonyms> (1,867)
N/A

>  <Target> (1,867)
ERK1,ERK2

>  <Form> (1,867)
free base

>  <URL> (1,867)
http://www.selleckchem.com/products/ly3214996.html

>  <CAS Number> (1,867)
1951483-29-6

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,868)
3277

>  <Formula> (1,868)
C37H42Cl2N2O6

>  <MolWeight> (1,868)
681.64518

>  <Item Name> (1,868)
Berbamine (dihydrochloride)

>  <Catalog Number> (1,868)
S3609

>  <Synonyms> (1,868)
N/A

>  <Target> (1,868)
NF-¦ÊB,bcr/abl

>  <Form> (1,868)
dihydrochloride

>  <URL> (1,868)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

>  <CAS Number> (1,868)
6078-17-7

$$$$
S3618 Acetylspiramycin.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,869)
3279

>  <Formula> (1,869)
C45H76N2O15

>  <MolWeight> (1,869)
885.08934

>  <Item Name> (1,869)
Acetylspiramycin (ASPM)

>  <Catalog Number> (1,869)
S3618

>  <Synonyms> (1,869)
Spiramycin II, Foromacidin B

>  <Target> (1,869)
Others

>  <Form> (1,869)
free base

>  <URL> (1,869)
http://www.selleckchem.com/products/acetylspiramycin.html

>  <CAS Number> (1,869)
24916-51-6

$$$$
S3605 Borneol.cdx
csChFnd80/10101811552D

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  4 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
M  END
>  <Mol_ID> (1,870)
3281

>  <Formula> (1,870)
C10H18O

>  <MolWeight> (1,870)
154.24932

>  <Item Name> (1,870)
Borneol

>  <Catalog Number> (1,870)
S3605

>  <Synonyms> (1,870)
N/A

>  <Target> (1,870)
TRPM8

>  <Form> (1,870)
free base

>  <URL> (1,870)
http://www.selleckchem.com/products/borneol.html

>  <CAS Number> (1,870)
507-70-0

$$$$
S3619 Citicoline sodium.cdx
csChFnd80/10101811552D

 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> (1,871)
3283

>  <Formula> (1,871)
C14H25N4NaO11P2

>  <MolWeight> (1,871)
510.305792

>  <Item Name> (1,871)
Citicoline sodium

>  <Catalog Number> (1,871)
S3619

>  <Synonyms> (1,871)
CDP-choline

>  <Target> (1,871)
Others

>  <Form> (1,871)
sodium salt

>  <URL> (1,871)
http://www.selleckchem.com/products/citicoline-sodium.html

>  <CAS Number> (1,871)
33818-15-4

$$$$
S3696 PTP Inhibitor I.cdx
csChFnd80/10101811552D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6288    2.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359    0.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8412    2.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2053    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    0.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0515    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8412    4.2170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2468    2.8061    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,872)
3287

>  <Formula> (1,872)
C8H7BrO2

>  <MolWeight> (1,872)
215.04398

>  <Item Name> (1,872)
PTP Inhibitor I

>  <Catalog Number> (1,872)
S3696

>  <Synonyms> (1,872)
¦Á-Bromo-4-hydroxyacetophenone,SHP-1 Inhibitor II

>  <Target> (1,872)
protein tyrosine phosphatase

>  <Form> (1,872)
free base

>  <URL> (1,872)
http://www.selleckchem.com/products/ptp-inhibitor-i.html

>  <CAS Number> (1,872)
2491-38-5

$$$$
S3697 Mafenide hydrochloride.cdx
csChFnd80/10101811552D

 13 12  0  0  0  0  0  0  0  0999 V2000
    4.8376    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6192    3.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0440    3.9451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4128    3.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2504    4.6554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3336    5.1514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7543    2.7387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4226    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,873)
3288

>  <Formula> (1,873)
C7H11ClN2O2S

>  <MolWeight> (1,873)
222.69244

>  <Item Name> (1,873)
Mafenide hydrochloride

>  <Catalog Number> (1,873)
S3697

>  <Synonyms> (1,873)
4-Aminomethylbenzenesulfonamide hydrochloride

>  <Target> (1,873)
carbonic anhydrase

>  <Form> (1,873)
hydrochloride

>  <URL> (1,873)
http://www.selleckchem.com/products/mafenide-hydrochloride.html

>  <CAS Number> (1,873)
138-37-4

$$$$
S3698 Nortriptyline (hydrochloride).cdx
csChFnd80/10101811552D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.8680    4.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1638    4.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    4.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680    2.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5262    6.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1538    3.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3826    6.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5817    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508    2.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6948    7.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8785    6.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5061    4.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2958    7.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0612    6.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2603    4.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508    0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8684    5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2557    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4643    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1411    2.0332    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 11 17  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,874)
3289

>  <Formula> (1,874)
C19H22ClN

>  <MolWeight> (1,874)
299.83768

>  <Item Name> (1,874)
Nortriptyline hydrochloride

>  <Catalog Number> (1,874)
S3698

>  <Synonyms> (1,874)
ELF-101 hydrochloride, EN-7048 hydrochloride, Desmethylamitriptyline hydrochloride

>  <Target> (1,874)
Kv channels

>  <Form> (1,874)
hydrochloride

>  <URL> (1,874)
http://www.selleckchem.com/products/nortriptyline-hydrochloride.html

>  <CAS Number> (1,874)
894-71-3

$$$$
S3701 Benactyzine hydrochloride.cdx
csChFnd80/10101811552D

 25 25  0  0  0  0  0  0  0  0999 V2000
    3.6286    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0666    4.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2768    4.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4903    4.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7022    4.9001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7022    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9149    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9148    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1272    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5163    1.5549    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
  2 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  2  1  0  0  0  0
  3 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  3  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,875)
3291

>  <Formula> (1,875)
C20H26ClNO3

>  <MolWeight> (1,875)
363.87834

>  <Item Name> (1,875)
Benactyzine hydrochloride

>  <Catalog Number> (1,875)
S3701

>  <Synonyms> (1,875)
N/A

>  <Target> (1,875)
AChR

>  <Form> (1,875)
hydrochloride

>  <URL> (1,875)
http://www.selleckchem.com/products/benactyzine-hydrochloride.html

>  <CAS Number> (1,875)
57-37-4

$$$$
S3687 Urea.cdx
csChFnd80/10101811552D

  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
    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
  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> (1,876)
3292

>  <Formula> (1,876)
CH4N2O

>  <MolWeight> (1,876)
60.05526

>  <Item Name> (1,876)
Urea

>  <Catalog Number> (1,876)
S3687

>  <Synonyms> (1,876)
Carbamide, Carbonyldiamide, Ureophil

>  <Target> (1,876)
Others

>  <Form> (1,876)
free base

>  <URL> (1,876)
http://www.selleckchem.com/products/urea.html

>  <CAS Number> (1,876)
57-13-6

$$$$
S3703 Phenethyl alcohol.cdx
csChFnd80/10101811552D

  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> (1,877)
3293

>  <Formula> (1,877)
C8H10O

>  <MolWeight> (1,877)
122.1644

>  <Item Name> (1,877)
Phenethyl alcohol

>  <Catalog Number> (1,877)
S3703

>  <Synonyms> (1,877)
2-phenylethanol, 2-Phenylethyl alcohol, Benzeneethanol, Phenylethanol

>  <Target> (1,877)
Others

>  <Form> (1,877)
free base

>  <URL> (1,877)
http://www.selleckchem.com/products/phenethyl-alcohol.html

>  <CAS Number> (1,877)
60-12-8

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/10101811552D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    3.5111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2319    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6177    4.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,878)
3294

>  <Formula> (1,878)
C4H7NO2

>  <MolWeight> (1,878)
101.10388

>  <Item Name> (1,878)
2,3-Butanedione-2-monoxime

>  <Catalog Number> (1,878)
S3699

>  <Synonyms> (1,878)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (1,878)
skeletal muscle myosin-II

>  <Form> (1,878)
free base

>  <URL> (1,878)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

>  <CAS Number> (1,878)
57-71-6

$$$$
S3634 6-Hydroxyflavone.cdx
csChFnd80/10101811552D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.6263    2.8163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317    4.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    2.1116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4112    2.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220    4.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0498    2.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2015    2.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0566    4.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.3067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2580    2.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2513    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4610    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6815    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6761    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  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  9  2  0  0  0  0
  8 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,879)
3295

>  <Formula> (1,879)
C15H10O3

>  <MolWeight> (1,879)
238.2381

>  <Item Name> (1,879)
6-Hydroxyflavone (6-HF)

>  <Catalog Number> (1,879)
S3634

>  <Synonyms> (1,879)
N/A

>  <Target> (1,879)
GABAA receptors

>  <Form> (1,879)
free base

>  <URL> (1,879)
http://www.selleckchem.com/products/6-hydroxyflavone-6-hf.html

>  <CAS Number> (1,879)
6665-83-4

$$$$
S3616 Asiaticoside.cdx
csChFnd80/10101811552D

 70 77  0  0  0  0  0  0  0  0999 V2000
   11.8879   14.3792    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   15.0858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8879   13.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1895   13.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4433   14.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   16.4799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6611   12.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3940   12.4455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2955   14.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0965   16.4799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4433   12.9846    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2257   15.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8879   17.1864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3875   17.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9012   10.9398    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2257   12.2784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4433   11.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0079   14.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8879   18.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5439   10.9398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5893    9.7498    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0079   13.0128    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2257   10.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1420   13.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8656    9.7498    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9012    8.5975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9462    9.7498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7994   12.3062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0079   10.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5085    9.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5439    8.5975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6169    7.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7994   10.8840    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5725   13.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7994   13.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7369    8.7460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8282    7.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725   10.1683    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3548   12.2784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7981    7.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3548   10.9120    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8661    8.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0814   12.9570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4222    7.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4766    5.9295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0814   10.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7438    5.9295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7981    4.7677    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8989    5.9018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3945    4.7677    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3215    5.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4766    3.5779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6788    3.5779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9497    3.0665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6139    1.7110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9367    4.0111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3193    1.3587    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6038    0.7210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5561    3.6210    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3266    2.2843    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9817    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5154    4.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6611   13.5797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9405   11.5905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9202    9.7617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2725    8.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725    7.7434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  4  9  1  0  0  0  0
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 16  9  1  1  0  0  0
 11 14  1  0  0  0  0
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 52 70  1  0  0  0  0
M  END
>  <Mol_ID> (1,880)
3297

>  <Formula> (1,880)
C48H78O19

>  <MolWeight> (1,880)
959.12152

>  <Item Name> (1,880)
Asiaticoside

>  <Catalog Number> (1,880)
S3616

>  <Synonyms> (1,880)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (1,880)
Others

>  <Form> (1,880)
free base

>  <URL> (1,880)
http://www.selleckchem.com/products/asiaticoside.html

>  <CAS Number> (1,880)
16830-15-2

$$$$
S3631 (S)-Methylisothiourea sulfate.cdx
csChFnd80/10101811552D

  6  4  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4926    0.7480    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
A    6
?0.5H2SO4?
M  END
>  <Mol_ID> (1,881)
3299

>  <Formula> (1,881)
C2H6N2RS

>  <MolWeight> (1,881)
90.14744

>  <Item Name> (1,881)
(S)-Methylisothiourea sulfate

>  <Catalog Number> (1,881)
S3631

>  <Synonyms> (1,881)
N/A

>  <Target> (1,881)
iNOS

>  <Form> (1,881)
sulfate

>  <URL> (1,881)
http://www.selleckchem.com/products/s-methylisothiourea-sulfate.html

>  <CAS Number> (1,881)
867-44-7

$$$$
S3632 Trichloroisocyanuric acid.cdx
csChFnd80/10101811552D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 Cl  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
    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
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,882)
3300

>  <Formula> (1,882)
C3Cl3N3O3

>  <MolWeight> (1,882)
232.4094

>  <Item Name> (1,882)
Trichloroisocyanuric acid

>  <Catalog Number> (1,882)
S3632

>  <Synonyms> (1,882)
N/A

>  <Target> (1,882)
Others

>  <Form> (1,882)
free base

>  <URL> (1,882)
http://www.selleckchem.com/products/trichloroisocyanuric-acid.html

>  <CAS Number> (1,882)
87-90-1

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/10101811552D

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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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  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,883)
3301

>  <Formula> (1,883)
C5H12N2S2

>  <MolWeight> (1,883)
164.29218

>  <Item Name> (1,883)
Pyrrolidinedithiocarbamate ammonium

>  <Catalog Number> (1,883)
S3633

>  <Synonyms> (1,883)
APDC, PDTC

>  <Target> (1,883)
NF-¦ÊB

>  <Form> (1,883)
ammonium salt

>  <URL> (1,883)
http://www.selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

>  <CAS Number> (1,883)
5108-96-3

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/10101811552D

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 16  5  1  0  0  0  0
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 17  6  1  0  0  0  0
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 18  7  1  0  0  0  0
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 14  9  1  0  0  0  0
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 40 26  1  0  0  0  0
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M  END
>  <Mol_ID> (1,884)
3302

>  <Formula> (1,884)
C42H68N2O16

>  <MolWeight> (1,884)
856.99312

>  <Item Name> (1,884)
Diammonium Glycyrrhizinate

>  <Catalog Number> (1,884)
S3622

>  <Synonyms> (1,884)
N/A

>  <Target> (1,884)
Others

>  <Form> (1,884)
ammonium salt 

>  <URL> (1,884)
http://www.selleckchem.com/products/diammonium-glycyrrhizinate.html

>  <CAS Number> (1,884)
79165-06-3

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/10101811552D

 47 53  0  0  0  0  0  0  0  0999 V2000
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,885)
3304

>  <Formula> (1,885)
C37H40N2O6

>  <MolWeight> (1,885)
608.7233

>  <Item Name> (1,885)
(+)-Fangchinoline

>  <Catalog Number> (1,885)
S3611

>  <Synonyms> (1,885)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (1,885)
Others

>  <Form> (1,885)
free base

>  <URL> (1,885)
http://www.selleckchem.com/products/s-s-fangchinoline.html

>  <CAS Number> (1,885)
436-77-1

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,886)
3308

>  <Formula> (1,886)
C9H10O4

>  <MolWeight> (1,886)
182.1733

>  <Item Name> (1,886)
Methyl Vanillate

>  <Catalog Number> (1,886)
S3630

>  <Synonyms> (1,886)
N/A

>  <Target> (1,886)
Wnt/¦Â-Catenin

>  <Form> (1,886)
free base

>  <URL> (1,886)
http://www.selleckchem.com/products/methyl-vanillate.html

>  <CAS Number> (1,886)
3943-74-6

$$$$
ACSS2 inhibitor.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,887)
3309

>  <Formula> (1,887)
C20H18N4O2S2

>  <MolWeight> (1,887)
410.51252

>  <Item Name> (1,887)
ACSS2 inhibitor

>  <Catalog Number> (1,887)
S8588

>  <Synonyms> (1,887)
N/A

>  <Target> (1,887)
ACSS2

>  <Form> (1,887)
free base

>  <URL> (1,887)
http://www.selleckchem.com/products/acss2-inhibitor.html

>  <CAS Number> (1,887)
508186-14-9

$$$$
S3610 Cordycepin.cdx
csChFnd80/10101811552D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,888)
3310

>  <Formula> (1,888)
C10H13N5O3

>  <MolWeight> (1,888)
251.24192

>  <Item Name> (1,888)
Cordycepin

>  <Catalog Number> (1,888)
S3610

>  <Synonyms> (1,888)
N/A

>  <Target> (1,888)
Others

>  <Form> (1,888)
free base

>  <URL> (1,888)
http://www.selleckchem.com/products/cordycepin.html

>  <CAS Number> (1,888)
73-03-0

$$$$
S3621 Pazufloxacin (mesylate).cdx
csChFnd80/10101811552D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,889)
3311

>  <Formula> (1,889)
C17H19FN2O7S

>  <MolWeight> (1,889)
414.4053632

>  <Item Name> (1,889)
Pazufloxacin mesylate

>  <Catalog Number> (1,889)
S3621

>  <Synonyms> (1,889)
T-3762, Pazucross

>  <Target> (1,889)
Antifection

>  <Form> (1,889)
methanesulfonate

>  <URL> (1,889)
http://www.selleckchem.com/products/pazufloxacin-mesylate.html

>  <CAS Number> (1,889)
163680-77-1

$$$$
S3625 Tyramine.cdx
csChFnd80/10101811552D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,890)
3313

>  <Formula> (1,890)
C8H11NO

>  <MolWeight> (1,890)
137.17904

>  <Item Name> (1,890)
Tyramine

>  <Catalog Number> (1,890)
S3625

>  <Synonyms> (1,890)
4-hydroxyphenethylamine, para-tyramine, mydrial, uteramin

>  <Target> (1,890)
Others

>  <Form> (1,890)
free base

>  <URL> (1,890)
http://www.selleckchem.com/products/tyramine.html

>  <CAS Number> (1,890)
51-67-2

$$$$
S3627 Tryptamine.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,891)
3315

>  <Formula> (1,891)
C10H12N2

>  <MolWeight> (1,891)
160.21568

>  <Item Name> (1,891)
Tryptamine

>  <Catalog Number> (1,891)
S3627

>  <Synonyms> (1,891)
N/A

>  <Target> (1,891)
5-HT receptor

>  <Form> (1,891)
free base

>  <URL> (1,891)
http://www.selleckchem.com/products/tryptamine.html

>  <CAS Number> (1,891)
61-54-1

$$$$
S3620 ¦Â-Glycerophosphate (sodium salt hydrate).cdx
csChFnd80/10101811552D

 17 11  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,892)
3316

>  <Formula> (1,892)
C3H17Na2O11P

>  <MolWeight> (1,892)
306.113781

>  <Item Name> (1,892)
¦Â-Glycerophosphate sodium salt hydrate

>  <Catalog Number> (1,892)
S3620

>  <Synonyms> (1,892)
N/A

>  <Target> (1,892)
phosphotase

>  <Form> (1,892)
sodium salt hydrate

>  <URL> (1,892)
http://www.selleckchem.com/products/beta-glycerophosphate-sodium-salt-hydrate.html

>  <CAS Number> (1,892)
13408-09-8

$$$$
CCG-203971.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,893)
3318

>  <Formula> (1,893)
C23H21ClN2O3

>  <MolWeight> (1,893)
408.87744

>  <Item Name> (1,893)
CCG-203971

>  <Catalog Number> (1,893)
S8469

>  <Synonyms> (1,893)
N/A

>  <Target> (1,893)
SRE.L

>  <Form> (1,893)
free base

>  <URL> (1,893)
http://www.selleckchem.com/products/ccg-203971.html

>  <CAS Number> (1,893)
1443437-74-8

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,894)
3319

>  <Formula> (1,894)
C14H21NO3S

>  <MolWeight> (1,894)
283.38644

>  <Item Name> (1,894)
Reparixin (Repertaxin)

>  <Catalog Number> (1,894)
S8640

>  <Synonyms> (1,894)
N/A

>  <Target> (1,894)
CXCR1,CXCR2,CXCL8

>  <Form> (1,894)
free base

>  <URL> (1,894)
http://www.selleckchem.com/products/reparixin-repertaxin.html

>  <CAS Number> (1,894)
266359-83-5

$$$$
S3684 Methacholine chloride.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,895)
3320

>  <Formula> (1,895)
C8H18ClNO2

>  <MolWeight> (1,895)
195.68702

>  <Item Name> (1,895)
Methacholine chloride

>  <Catalog Number> (1,895)
S3684

>  <Synonyms> (1,895)
Mecholyl chloride, Acetyl-¦Â-methylcholine chloride

>  <Target> (1,895)
muscarinic receptor

>  <Form> (1,895)
chloride

>  <URL> (1,895)
http://www.selleckchem.com/products/methacholine-chloride.html

>  <CAS Number> (1,895)
62-51-1

$$$$
S3702 Dihydrothymine.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,896)
3321

>  <Formula> (1,896)
C5H8N2O2

>  <MolWeight> (1,896)
128.12922

>  <Item Name> (1,896)
Dihydrothymine

>  <Catalog Number> (1,896)
S3702

>  <Synonyms> (1,896)
N/A

>  <Target> (1,896)
Others

>  <Form> (1,896)
free base

>  <URL> (1,896)
http://www.selleckchem.com/products/dihydrothymine.html

>  <CAS Number> (1,896)
696-04-8

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,897)
3323

>  <Formula> (1,897)
C18H19NO2S2

>  <MolWeight> (1,897)
345.47896

>  <Item Name> (1,897)
PKM2 inhibitor(compound 3k)

>  <Catalog Number> (1,897)
S8616

>  <Synonyms> (1,897)
N/A

>  <Target> (1,897)
PKM2

>  <Form> (1,897)
free base

>  <URL> (1,897)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

>  <CAS Number> (1,897)
94164-88-2

$$$$
S3650 Penicillin V potassium salt.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,898)
3324

>  <Formula> (1,898)
C16H17KN2O5S

>  <MolWeight> (1,898)
388.47988

>  <Item Name> (1,898)
Penicillin V potassium salt

>  <Catalog Number> (1,898)
S3650

>  <Synonyms> (1,898)
Phenoxymethylpenicillin potassium salt

>  <Target> (1,898)
Antifection

>  <Form> (1,898)
potassium salt

>  <URL> (1,898)
http://www.selleckchem.com/products/penicillin-v-potassium-salt.html

>  <CAS Number> (1,898)
132-98-9

$$$$
S3645 Kitasamycin.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,899)
3326

>  <Formula> (1,899)
C40H67NO14

>  <MolWeight> (1,899)
785.95828

>  <Item Name> (1,899)
Kitasamycin

>  <Catalog Number> (1,899)
S3645

>  <Synonyms> (1,899)
leucomycin

>  <Target> (1,899)
Antifection

>  <Form> (1,899)
free base

>  <URL> (1,899)
http://www.selleckchem.com/products/kitasamycin.html

>  <CAS Number> (1,899)
1392-21-8

$$$$
S3646 Thimerosal.cdx
csChFnd80/10101811552D

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 Hg  0  0  0  0  0  0  0  0  0  0  0  0
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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
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 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,900)
3327

>  <Formula> (1,900)
C9H9HgNaO2S

>  <MolWeight> (1,900)
404.81133

>  <Item Name> (1,900)
Thimerosal

>  <Catalog Number> (1,900)
S3646

>  <Synonyms> (1,900)
Thiomersalate, Mercurothiolate

>  <Target> (1,900)
Antifection

>  <Form> (1,900)
sodium salt

>  <URL> (1,900)
http://www.selleckchem.com/products/thimerosal.html

>  <CAS Number> (1,900)
54-64-8

$$$$
S3676 Carbendazim.cdx
csChFnd80/10101811552D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4531    0.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    2.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7960    0.3077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,901)
3330

>  <Formula> (1,901)
C9H9N3O2

>  <MolWeight> (1,901)
191.18666

>  <Item Name> (1,901)
Carbendazim

>  <Catalog Number> (1,901)
S3676

>  <Synonyms> (1,901)
Mercarzole, Carbendazole

>  <Target> (1,901)
Others

>  <Form> (1,901)
free base

>  <URL> (1,901)
http://www.selleckchem.com/products/carbendazim.html

>  <CAS Number> (1,901)
10605-21-7

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/10101811552D

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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (1,902)
3332

>  <Formula> (1,902)
C11H8O3

>  <MolWeight> (1,902)
188.17942

>  <Item Name> (1,902)
2-Methoxy-1,4-naphthoquinone

>  <Catalog Number> (1,902)
S3661

>  <Synonyms> (1,902)
N/A

>  <Target> (1,902)
PKC

>  <Form> (1,902)
free base

>  <URL> (1,902)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

>  <CAS Number> (1,902)
2348-82-5

$$$$
S3652 3-Nitropropionic acid.cdx
csChFnd80/10101811552D

  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
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  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> (1,903)
3333

>  <Formula> (1,903)
C3H5NO4

>  <MolWeight> (1,903)
119.0761

>  <Item Name> (1,903)
3-Nitropropionic acid

>  <Catalog Number> (1,903)
S3652

>  <Synonyms> (1,903)
¦Â-Nitropropionic Acid, 3-NP

>  <Target> (1,903)
mitochondrial respiratory Complex II succin

>  <Form> (1,903)
free base

>  <URL> (1,903)
http://www.selleckchem.com/products/3-nitropropionic-acid.html

>  <CAS Number> (1,903)
504-88-1

$$$$
S3668 Thymopentin.cdx
csChFnd80/10101811552D

 48 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,904)
3334

>  <Formula> (1,904)
C30H49N9O9

>  <MolWeight> (1,904)
679.76496

>  <Item Name> (1,904)
Thymopentin

>  <Catalog Number> (1,904)
S3668

>  <Synonyms> (1,904)
TP5

>  <Target> (1,904)
Immunology & Inflammation related

>  <Form> (1,904)
free base

>  <URL> (1,904)
http://www.selleckchem.com/products/thymopentin.html

>  <CAS Number> (1,904)
69558-55-0

$$$$
S3667 Imipenem.cdx
csChFnd80/10101811552D

 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
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M  END
>  <Mol_ID> (1,905)
3335

>  <Formula> (1,905)
C12H19N3O5S

>  <MolWeight> (1,905)
317.36136

>  <Item Name> (1,905)
Imipenem

>  <Catalog Number> (1,905)
S3667

>  <Synonyms> (1,905)
N/A

>  <Target> (1,905)
AmpC ¦Â-lactamase

>  <Form> (1,905)
hydrate

>  <URL> (1,905)
http://www.selleckchem.com/products/imipenem.html

>  <CAS Number> (1,905)
74431-23-5

$$$$
S3672 Cefonicid (sodium).cdx
csChFnd80/10101811552D

 38 39  0  0  0  0  0  0  0  0999 V2000
   15.9036   10.1746    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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   11.2195    4.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,906)
3337

>  <Formula> (1,906)
C18H16N6Na2O8S3

>  <MolWeight> (1,906)
586.52958

>  <Item Name> (1,906)
Cefonicid sodium

>  <Catalog Number> (1,906)
S3672

>  <Synonyms> (1,906)
Cefonicid sodium

>  <Target> (1,906)
Antifection

>  <Form> (1,906)
disodium salt

>  <URL> (1,906)
http://www.selleckchem.com/products/cefonicid-sodium.html

>  <CAS Number> (1,906)
61270-78-8

$$$$
S3674 Levamlodipine.cdx
csChFnd80/10101811552D

 28 29  0  0  0  0  0  0  0  0999 V2000
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 16  5  1  0  0  0  0
 12  7  2  0  0  0  0
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 11  8  2  0  0  0  0
 15  8  1  0  0  0  0
 10  9  1  0  0  0  0
 19  9  2  0  0  0  0
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 25 14  1  0  0  0  0
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 28 21  1  0  0  0  0
 22 24  1  0  0  0  0
 27 23  1  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,907)
3338

>  <Formula> (1,907)
C20H25ClN2O5

>  <MolWeight> (1,907)
408.8759

>  <Item Name> (1,907)
Levamlodipine

>  <Catalog Number> (1,907)
S3674

>  <Synonyms> (1,907)
S-amlodipine

>  <Target> (1,907)
calcium channel

>  <Form> (1,907)
free base

>  <URL> (1,907)
http://www.selleckchem.com/products/levamlodipine.html

>  <CAS Number> (1,907)
103129-82-4

$$$$
S3665 Trolox.cdx
csChFnd80/10101811552D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6386    3.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0635    3.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4222    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4328    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0053    1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3464    1.2819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9208    3.6691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,908)
3339

>  <Formula> (1,908)
C14H18O4

>  <MolWeight> (1,908)
250.29032

>  <Item Name> (1,908)
Trolox

>  <Catalog Number> (1,908)
S3665

>  <Synonyms> (1,908)
N/A

>  <Target> (1,908)
Vitamin

>  <Form> (1,908)
free base

>  <URL> (1,908)
http://www.selleckchem.com/products/trolox.html

>  <CAS Number> (1,908)
53188-07-1

$$$$
S3660 Uniconazole.cdx
csChFnd80/10101811552D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6377    6.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    7.7003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9349    9.8551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7592    8.5159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    5.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    5.6002    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4939    8.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3348    9.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    4.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8475    1.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8475    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0589    3.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340    3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    2.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  4  2  1  0  0  0  0
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  8  4  2  0  0  0  0
 10  5  1  0  0  0  0
  9  6  1  0  0  0  0
 11  6  1  0  0  0  0
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 17 14  1  0  0  0  0
 16 15  2  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,909)
3341

>  <Formula> (1,909)
C15H18ClN3O

>  <MolWeight> (1,909)
291.77592

>  <Item Name> (1,909)
Uniconazole

>  <Catalog Number> (1,909)
S3660

>  <Synonyms> (1,909)
S 3307D, XE 1019D

>  <Target> (1,909)
cytochrome P450 707As

>  <Form> (1,909)
free base

>  <URL> (1,909)
http://www.selleckchem.com/products/uniconazole.html

>  <CAS Number> (1,909)
83657-22-1

$$$$
MKC-3946.cdx
csChFnd80/10101811552D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4904    4.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    5.4246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    4.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4521    5.8095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1362    2.1189    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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  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
  1 11  1  0  0  0  0
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 24 18  1  0  0  0  0
 22 25  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,910)
3342

>  <Formula> (1,910)
C21H20N2O3S

>  <MolWeight> (1,910)
380.4601

>  <Item Name> (1,910)
MKC-3946

>  <Catalog Number> (1,910)
S8286

>  <Synonyms> (1,910)
N/A

>  <Target> (1,910)
IRE1¦Á endoribonuclease

>  <Form> (1,910)
free base

>  <URL> (1,910)
http://www.selleckchem.com/products/mkc-3946.html

>  <CAS Number> (1,910)
1093119-54-0

$$$$
S3690 Pargyline (hydrochloride).cdx
csChFnd80/10101811552D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4200    3.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324    4.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264    4.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    3.4777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0071    3.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1986    1.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    2.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0585    4.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583    1.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2708    0.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    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  1  0  0  0  0
  6 10  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (1,911)
3343

>  <Formula> (1,911)
C11H14ClN

>  <MolWeight> (1,911)
195.68856

>  <Item Name> (1,911)
Pargyline hydrochloride

>  <Catalog Number> (1,911)
S3690

>  <Synonyms> (1,911)
Pargylamine hydrochloride

>  <Target> (1,911)
monoamine oxidase (MAO)-B

>  <Form> (1,911)
hydrochloride 

>  <URL> (1,911)
http://www.selleckchem.com/products/pargyline-hydrochloride.html

>  <CAS Number> (1,911)
306-07-0

$$$$
S3693 2,6-Dihydroxypurine.cdx
csChFnd80/10101811552D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    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
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,912)
3344

>  <Formula> (1,912)
C5H4N4O2

>  <MolWeight> (1,912)
152.11086

>  <Item Name> (1,912)
2,6-Dihydroxypurine

>  <Catalog Number> (1,912)
S3693

>  <Synonyms> (1,912)
xanthine, Isoxanthine

>  <Target> (1,912)
Others

>  <Form> (1,912)
free base

>  <URL> (1,912)
http://www.selleckchem.com/products/2-6-dihydroxypurine.html

>  <CAS Number> (1,912)
69-89-6

$$$$
S3688 2,4-Diamino-6-hydroxypyrimidine.cdx
csChFnd80/10101811552D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
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  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,913)
3345

>  <Formula> (1,913)
C4H6N4O

>  <MolWeight> (1,913)
126.11664

>  <Item Name> (1,913)
2,4-Diamino-6-hydroxypyrimidine

>  <Catalog Number> (1,913)
S3688

>  <Synonyms> (1,913)
DAHP

>  <Target> (1,913)
GTP cyclohydrolase I

>  <Form> (1,913)
free base

>  <URL> (1,913)
http://www.selleckchem.com/products/2-4-diamino-6-hydroxypyrimidine.html

>  <CAS Number> (1,913)
56-06-4

$$$$
S3713 Moxidectin.cdx
csChFnd80/10101811552D

 48 52  0  0  0  0  0  0  0  0999 V2000
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    9.6708    9.1616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4539    8.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4539   11.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1968   11.0738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8474   10.1377    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2370    7.9647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,914)
3346

>  <Formula> (1,914)
C37H53NO8

>  <MolWeight> (1,914)
639.81862

>  <Item Name> (1,914)
Moxidectin

>  <Catalog Number> (1,914)
S3713

>  <Synonyms> (1,914)
milbemycin B

>  <Target> (1,914)
Antifection

>  <Form> (1,914)
free base

>  <URL> (1,914)
http://www.selleckchem.com/products/moxidectin.html

>  <CAS Number> (1,914)
113507-06-5

$$$$
S3728 Grazoprevir.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,915)
3350

>  <Formula> (1,915)
C38H50N6O9S

>  <MolWeight> (1,915)
766.9034

>  <Item Name> (1,915)
Grazoprevir

>  <Catalog Number> (1,915)
S3728

>  <Synonyms> (1,915)
MK5172

>  <Target> (1,915)
Hepatitis C Virus NS3/4A Protease

>  <Form> (1,915)
free base

>  <URL> (1,915)
http://www.selleckchem.com/products/grazoprevir.html

>  <CAS Number> (1,915)
1350514-68-9

$$$$
S3731 Tipiracil hydrochloride.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,916)
3352

>  <Formula> (1,916)
C9H12Cl2N4O2

>  <MolWeight> (1,916)
279.12318

>  <Item Name> (1,916)
Tipiracil hydrochloride

>  <Catalog Number> (1,916)
S3731

>  <Synonyms> (1,916)
MA-1 hydrochloride

>  <Target> (1,916)
thymidine phosphorylase

>  <Form> (1,916)
hydrochloride

>  <URL> (1,916)
http://www.selleckchem.com/products/tipiracil-hydrochloride.html

>  <CAS Number> (1,916)
183204-72-0

$$$$
S3641 Osalmid.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,917)
3358

>  <Formula> (1,917)
C13H11NO3

>  <MolWeight> (1,917)
229.23134

>  <Item Name> (1,917)
Osalmid

>  <Catalog Number> (1,917)
S3641

>  <Synonyms> (1,917)
N/A

>  <Target> (1,917)
ribonucleotide reductase

>  <Form> (1,917)
free base

>  <URL> (1,917)
http://www.selleckchem.com/products/osalmid.html

>  <CAS Number> (1,917)
526-18-1

$$$$
S3644 Sulfamonomethoxine.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,918)
3359

>  <Formula> (1,918)
C11H12N4O3S

>  <MolWeight> (1,918)
280.30298

>  <Item Name> (1,918)
Sulfamonomethoxine

>  <Catalog Number> (1,918)
S3644

>  <Synonyms> (1,918)
N/A

>  <Target> (1,918)
Antifection

>  <Form> (1,918)
free base

>  <URL> (1,918)
http://www.selleckchem.com/products/sulfamonomethoxine.html

>  <CAS Number> (1,918)
1220-83-3

$$$$
S3648 Amlexanox.cdx
csChFnd80/10101811552D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,919)
3361

>  <Formula> (1,919)
C16H14N2O4

>  <MolWeight> (1,919)
298.29336

>  <Item Name> (1,919)
Amlexanox

>  <Catalog Number> (1,919)
S3648

>  <Synonyms> (1,919)
AA-673, CHX-3673

>  <Target> (1,919)
TBK1,IKK-¦Å

>  <Form> (1,919)
free base

>  <URL> (1,919)
http://www.selleckchem.com/products/amlexanox.html

>  <CAS Number> (1,919)
68302-57-8

$$$$
S3649 Ceftazidime.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,920)
3362

>  <Formula> (1,920)
C22H22N6O7S2

>  <MolWeight> (1,920)
546.57608

>  <Item Name> (1,920)
Ceftazidime

>  <Catalog Number> (1,920)
S3649

>  <Synonyms> (1,920)
N/A

>  <Target> (1,920)
Antifection

>  <Form> (1,920)
inner salt

>  <URL> (1,920)
http://www.selleckchem.com/products/ceftazidime.html

>  <CAS Number> (1,920)
72558-82-8

$$$$
S3651 4-Amino-5-imidazolecarboxamide.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,921)
3363

>  <Formula> (1,921)
C4H6N4O

>  <MolWeight> (1,921)
126.11664

>  <Item Name> (1,921)
4-Amino-5-imidazolecarboxamide

>  <Catalog Number> (1,921)
S3651

>  <Synonyms> (1,921)
N/A

>  <Target> (1,921)
Others

>  <Form> (1,921)
free base

>  <URL> (1,921)
http://www.selleckchem.com/products/4-amino-5-imidazolecarboxamide.html

>  <CAS Number> (1,921)
360-97-4

$$$$
S3655 Cefepime (Dihydrochloride Monohydrate).cdx
csChFnd80/10101811552D

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 15 18  2  0  0  0  0
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 27 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,922)
3365

>  <Formula> (1,922)
C19H28Cl2N6O6S2

>  <MolWeight> (1,922)
571.49822

>  <Item Name> (1,922)
Cefepime Dihydrochloride Monohydrate

>  <Catalog Number> (1,922)
S3655

>  <Synonyms> (1,922)
N/A

>  <Target> (1,922)
Antifection

>  <Form> (1,922)
dihydrochloride hydrate

>  <URL> (1,922)
http://www.selleckchem.com/products/cefepime-dihydrochloride-monohydrate.html

>  <CAS Number> (1,922)
123171-59-5

$$$$
S3656 Piribedil.cdx
csChFnd80/10101811552D

 22 25  0  0  0  0  0  0  0  0999 V2000
   10.9049    4.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2351    2.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0596    3.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
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  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7  9  2  0  0  0  0
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 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,923)
3366

>  <Formula> (1,923)
C16H18N4O2

>  <MolWeight> (1,923)
298.33972

>  <Item Name> (1,923)
Piribedil

>  <Catalog Number> (1,923)
S3656

>  <Synonyms> (1,923)
Trivastal, Trivastan

>  <Target> (1,923)
D3 receptor,adrenoceptor ¦Á2,D2 receptor

>  <Form> (1,923)
free base

>  <URL> (1,923)
http://www.selleckchem.com/products/piribedil.html

>  <CAS Number> (1,923)
3605-01-4

$$$$
S3657 Promestriene.cdx
csChFnd80/10101811552D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   10.9023    2.7969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2479    2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4594    4.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9023    4.1778    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1984    2.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2479    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0715    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6808    4.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2383    4.5865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9221    5.6435    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 25  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 26  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 27  1  6  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
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  7 12  1  0  0  0  0
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  9 10  1  0  0  0  0
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 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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M  END
>  <Mol_ID> (1,924)
3367

>  <Formula> (1,924)
C22H32O2

>  <MolWeight> (1,924)
328.48828

>  <Item Name> (1,924)
Promestriene

>  <Catalog Number> (1,924)
S3657

>  <Synonyms> (1,924)
3-propyl ethyl, 17B-methyl estradiol

>  <Target> (1,924)
Estrogen Receptor

>  <Form> (1,924)
free base

>  <URL> (1,924)
http://www.selleckchem.com/products/promestriene.html

>  <CAS Number> (1,924)
39219-28-8

$$$$
S3658 O6-Benzylguanine.cdx
csChFnd80/10101811552D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.6598    2.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2201    2.0869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    4.1782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9604    0.2725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7737    1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,925)
3368

>  <Formula> (1,925)
C12H11N5O

>  <MolWeight> (1,925)
241.24864

>  <Item Name> (1,925)
O6-Benzylguanine

>  <Catalog Number> (1,925)
S3658

>  <Synonyms> (1,925)
O6-BG

>  <Target> (1,925)
O6-alkylguanine DNA alkyltransferase

>  <Form> (1,925)
free base

>  <URL> (1,925)
http://www.selleckchem.com/products/o6-benzylguanine.html

>  <CAS Number> (1,925)
19916-73-5

$$$$
S3662 Pirenzepine (dihydrochloride).cdx
csChFnd80/10101811552D

 28 29  0  0  0  0  0  0  0  0999 V2000
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    5.2469   10.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,926)
3370

>  <Formula> (1,926)
C19H23Cl2N5O2

>  <MolWeight> (1,926)
424.32422

>  <Item Name> (1,926)
Pirenzepine dihydrochloride

>  <Catalog Number> (1,926)
S3662

>  <Synonyms> (1,926)
N/A

>  <Target> (1,926)
AChR

>  <Form> (1,926)
dihydrochloride

>  <URL> (1,926)
http://www.selleckchem.com/products/pirenzepine-dihydrochlori

>  <CAS Number> (1,926)
29868-97-1

$$$$
S3673 Sulfaphenazole.cdx
csChFnd80/10101811552D

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  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  2  0  0  0  0
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 18 20  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,927)
3372

>  <Formula> (1,927)
C15H14N4O2S

>  <MolWeight> (1,927)
314.36226

>  <Item Name> (1,927)
Sulfaphenazole

>  <Catalog Number> (1,927)
S3673

>  <Synonyms> (1,927)
Depocid, Depotsulfonamide, Plisulfan, Raziosulfa

>  <Target> (1,927)
CYP2C9

>  <Form> (1,927)
free base

>  <URL> (1,927)
http://www.selleckchem.com/products/sulfaphenazole.html

>  <CAS Number> (1,927)
526-08-9

$$$$
S3695 Cystamine dihydrochloride.cdx
csChFnd80/10101811552D

 10  7  0  0  0  0  0  0  0  0999 V2000
    5.3463    0.7971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5159    0.0626    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1177    0.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7480    0.7274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6846    0.1984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1776    0.6649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.8646    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8646    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,928)
3373

>  <Formula> (1,928)
C4H14Cl2N2S2

>  <MolWeight> (1,928)
225.20336

>  <Item Name> (1,928)
Cystamine dihydrochloride

>  <Catalog Number> (1,928)
S3695

>  <Synonyms> (1,928)
Decarboxycystine dihydrochloride, 2-Aminoethyl disulfide dihydrochloride

>  <Target> (1,928)
Antifection

>  <Form> (1,928)
dihydrochloride

>  <URL> (1,928)
http://www.selleckchem.com/products/cystamine-dihydrochloride.html

>  <CAS Number> (1,928)
56-17-7

$$$$
S3711 Carbasalate Calcium.cdx
csChFnd80/10101811552D

 31 31  0  0  0  0  0  0  0  0999 V2000
   10.5758    5.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5758    4.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3255    6.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8365    6.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8365    3.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3255    3.8336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    6.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3255    8.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0195    5.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0195    4.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3255    2.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3960    7.0214    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
   10.5758    1.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424    1.7204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8151    6.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    6.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4178    6.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2089    6.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    4.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    4.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    2.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4178    1.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8151    1.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5975    0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3886    0.0412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7962    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
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 15 16  1  0  0  0  0
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 16 18  2  0  0  0  0
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 17 20  1  0  0  0  0
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 21 24  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,929)
3378

>  <Formula> (1,929)
C19H18CaN2O9

>  <MolWeight> (1,929)
458.43222

>  <Item Name> (1,929)
Carbasalate Calcium

>  <Catalog Number> (1,929)
S3711

>  <Synonyms> (1,929)
Iromin, Alcacyl, Omegin, Rheomin, Solupsan

>  <Target> (1,929)
platelet aggregation

>  <Form> (1,929)
calcium salt

>  <URL> (1,929)
http://www.selleckchem.com/products/carbasalate-calcium.html

>  <CAS Number> (1,929)
5749-67-7

$$$$
S3737 Cangrelor Tetrasodium.cdx
csChFnd80/10101811552D

 48 50  0  0  0  0  0  0  0  0999 V2000
    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
   14.3251    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5013    8.1621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9562    9.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4317    0.9250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7865    0.9250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5013    1.7463    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6066    2.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7021    1.7463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7865    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4317    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7021    2.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3189   10.5292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5312    5.6303    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1063    5.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8945    6.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  1  1  0  0  0
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 39 40  1  0  0  0  0
 43 44  1  0  0  0  0
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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (1,930)
3379

>  <Formula> (1,930)
C17H21Cl2F3N5Na4O12P3S2

>  <MolWeight> (1,930)
864.2865126

>  <Item Name> (1,930)
Cangrelor Tetrasodium

>  <Catalog Number> (1,930)
S3737

>  <Synonyms> (1,930)
AR-C69931MX

>  <Target> (1,930)
P2Y12 receptor

>  <Form> (1,930)
tetrasodium salt

>  <URL> (1,930)
http://www.selleckchem.com/products/cangrelor-tetrasodium.html

>  <CAS Number> (1,930)
163706-36-3

$$$$
S3705 Chlorobutanol.cdx
csChFnd80/10101811552D

  8  7  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.4000    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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,931)
3382

>  <Formula> (1,931)
C4H7Cl3O

>  <MolWeight> (1,931)
177.45678

>  <Item Name> (1,931)
Chlorobutanol

>  <Catalog Number> (1,931)
S3705

>  <Synonyms> (1,931)
Chlorbutol, Chloreton, Chloretone, Chlortran|

>  <Target> (1,931)
Antifection

>  <Form> (1,931)
free base

>  <URL> (1,931)
http://www.selleckchem.com/products/chlorobutanol.html

>  <CAS Number> (1,931)
57-15-8

$$$$
S3717 Testosterone Enanthate.cdx
csChFnd80/10101811552D

 32 35  0  0  0  0  0  0  0  0999 V2000
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C26H40O3

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Testosterone Enanthate

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S3717

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Testosterone heptanoate, NSC-17591

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androgen receptor

>  <Form> (1,932)
free base

>  <URL> (1,932)
http://www.selleckchem.com/products/testosterone-enanthate.html

>  <CAS Number> (1,932)
315-37-7

$$$$
S3719 Topiroxostat.cdx
csChFnd80/10101811552D

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C13H8N6

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248.24282

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Topiroxostat

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S3719

>  <Synonyms> (1,933)
N/A

>  <Target> (1,933)
XOR

>  <Form> (1,933)
free base

>  <URL> (1,933)
http://www.selleckchem.com/products/topiroxostat.html

>  <CAS Number> (1,933)
577778-58-6

$$$$
S3722 Isavuconazole.cdx
csChFnd80/10101811552D

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3389

>  <Formula> (1,934)
C22H17F2N5OS

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Isavuconazole

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S3722

>  <Synonyms> (1,934)
BAL-4815, RO-0094815

>  <Target> (1,934)
Antifection

>  <Form> (1,934)
free base

>  <URL> (1,934)
http://www.selleckchem.com/products/isavuconazole.html

>  <CAS Number> (1,934)
241479-67-4

$$$$
S3724 Velpatasvir.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,935)
3391

>  <Formula> (1,935)
C49H54N8O8

>  <MolWeight> (1,935)
883.00186

>  <Item Name> (1,935)
Velpatasvir

>  <Catalog Number> (1,935)
S3724

>  <Synonyms> (1,935)
GS-5816

>  <Target> (1,935)
NS5A

>  <Form> (1,935)
free base

>  <URL> (1,935)
http://www.selleckchem.com/products/velpatasvir.html

>  <CAS Number> (1,935)
1377049-84-7

$$$$
S3735 Umeclidinium bromide.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,936)
3392

>  <Formula> (1,936)
C29H34BrNO2

>  <MolWeight> (1,936)
508.48976

>  <Item Name> (1,936)
Umeclidinium bromide

>  <Catalog Number> (1,936)
S3735

>  <Synonyms> (1,936)
N/A

>  <Target> (1,936)
mAChR

>  <Form> (1,936)
bromide

>  <URL> (1,936)
http://www.selleckchem.com/products/umeclidinium-bromide.html

>  <CAS Number> (1,936)
869113-09-7

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/10101811552D

 30 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,937)
3395

>  <Formula> (1,937)
C17H17N3Na2O8

>  <MolWeight> (1,937)
437.31172

>  <Item Name> (1,937)
Balsalazide disodium

>  <Catalog Number> (1,937)
S3745

>  <Synonyms> (1,937)
N/A

>  <Target> (1,937)
Immunology & Inflammation related

>  <Form> (1,937)
disodium salt dihydrate

>  <URL> (1,937)
http://www.selleckchem.com/products/balsalazide-disodium.html

>  <CAS Number> (1,937)
150399-21-6

$$$$
S3746 Lumefantrine.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,938)
3396

>  <Formula> (1,938)
C30H32Cl3NO

>  <MolWeight> (1,938)
528.94018

>  <Item Name> (1,938)
Lumefantrine

>  <Catalog Number> (1,938)
S3746

>  <Synonyms> (1,938)
benflumetol

>  <Target> (1,938)
Antifection

>  <Form> (1,938)
free base

>  <URL> (1,938)
http://www.selleckchem.com/products/lumefantrine.html

>  <CAS Number> (1,938)
82186-77-4

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/10101811552D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,939)
3397

>  <Formula> (1,939)
C12H8ClI

>  <MolWeight> (1,939)
314.54939

>  <Item Name> (1,939)
Diphenyleneiodonium chloride (DPI)

>  <Catalog Number> (1,939)
S8639

>  <Synonyms> (1,939)
N/A

>  <Target> (1,939)
NADPH oxidase

>  <Form> (1,939)
chloride

>  <URL> (1,939)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

>  <CAS Number> (1,939)
4673-26-1

$$$$
S3689 Ethidium bromide.cdx
csChFnd80/10101811552D

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    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0761    2.8585    0.0000 Br  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
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 21 24  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,940)
3399

>  <Formula> (1,940)
C21H20BrN3

>  <MolWeight> (1,940)
394.3076

>  <Item Name> (1,940)
Ethidium bromide

>  <Catalog Number> (1,940)
S3689

>  <Synonyms> (1,940)
Homidium bromide, EtBr, EB

>  <Target> (1,940)
Others

>  <Form> (1,940)
bromide

>  <URL> (1,940)
http://www.selleckchem.com/products/ethidium-bromide.html

>  <CAS Number> (1,940)
1239-45-8

$$$$
S3707 Ethopabate.cdx
csChFnd80/10101811552D

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    1.2124    6.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0062    5.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6320    6.3032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0062    4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4095    0.0000 O   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
    4.8458    5.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8095    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
    6.0575    6.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,941)
3401

>  <Formula> (1,941)
C12H15NO4

>  <MolWeight> (1,941)
237.2518

>  <Item Name> (1,941)
Ethopabate

>  <Catalog Number> (1,941)
S3707

>  <Synonyms> (1,941)
Ethyl pabate

>  <Target> (1,941)
Antifection

>  <Form> (1,941)
free base

>  <URL> (1,941)
http://www.selleckchem.com/products/ethopabate.html

>  <CAS Number> (1,941)
59-06-3

$$$$
S3708 Sulfachloropyridazine.cdx
csChFnd80/10101811552D

 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
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    3.6373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.9124    0.0000 C   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
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  3  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,942)
3402

>  <Formula> (1,942)
C10H9ClN4O2S

>  <MolWeight> (1,942)
284.72206

>  <Item Name> (1,942)
Sulfachloropyridazine

>  <Catalog Number> (1,942)
S3708

>  <Synonyms> (1,942)
N/A

>  <Target> (1,942)
Antifection

>  <Form> (1,942)
free base

>  <URL> (1,942)
http://www.selleckchem.com/products/sulfachloropyridazine.html

>  <CAS Number> (1,942)
80-32-0

$$$$
GNF-6231.cdx
csChFnd80/10101811552D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 F   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> (1,943)
3406

>  <Formula> (1,943)
C24H25FN6O2

>  <MolWeight> (1,943)
448.4927032

>  <Item Name> (1,943)
GNF-6231

>  <Catalog Number> (1,943)
S8644

>  <Synonyms> (1,943)
N/A

>  <Target> (1,943)
Porcupine

>  <Form> (1,943)
free base

>  <URL> (1,943)
http://www.selleckchem.com/products/gnf-6231.html

>  <CAS Number> (1,943)
1243245-18-2

$$$$
S3642 Cesium chloride.cdx
csChFnd80/10101811552D

  2  1  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Cs  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END
>  <Mol_ID> (1,944)
3411

>  <Formula> (1,944)
ClCs

>  <MolWeight> (1,944)
168.35845

>  <Item Name> (1,944)
Cesium chloride

>  <Catalog Number> (1,944)
S3642

>  <Synonyms> (1,944)
CsCl

>  <Target> (1,944)
Others

>  <Form> (1,944)
inorganic salt

>  <URL> (1,944)
http://www.selleckchem.com/products/cesium-chloride.html

>  <CAS Number> (1,944)
7647-17-8

$$$$
S3685 4-Biphenylacetic acid.cdx
csChFnd80/10101811552D

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    4.2002    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,945)
3412

>  <Formula> (1,945)
C14H12O2

>  <MolWeight> (1,945)
212.24388

>  <Item Name> (1,945)
4-Biphenylacetic acid

>  <Catalog Number> (1,945)
S3685

>  <Synonyms> (1,945)
BPA

>  <Target> (1,945)
Immunology & Inflammation related

>  <Form> (1,945)
free base

>  <URL> (1,945)
http://www.selleckchem.com/products/4-biphenylacetic-acid.html

>  <CAS Number> (1,945)
5728-52-9

$$$$
Boceprevir (SCH 503034).cdx
csChFnd80/10101811552D

 39 41  0  0  0  0  0  0  0  0999 V2000
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Boceprevir

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>  <Synonyms> (1,946)
N/A

>  <Target> (1,946)
hepatitis C virus (HCV) protease

>  <Form> (1,946)
free base

>  <URL> (1,946)
http://www.selleckchem.com/products/boceprevir.html

>  <CAS Number> (1,946)
394730-60-0

$$$$
S3680 NLRP3 Inflammasome Inhibitor I.cdx
csChFnd80/10101811552D

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>  <Formula> (1,947)
C16H17ClN2O4S

>  <MolWeight> (1,947)
368.83518

>  <Item Name> (1,947)
NLRP3 Inflammasome Inhibitor I

>  <Catalog Number> (1,947)
S3680

>  <Synonyms> (1,947)
N/A

>  <Target> (1,947)
NLRP3 inflammasome

>  <Form> (1,947)
free base

>  <URL> (1,947)
http://www.selleckchem.com/products/nlrp3-Inflammasome-inhibitor-i.html

>  <CAS Number> (1,947)
16673-34-0

$$$$
S3628 BHQ.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (1,948)
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>  <Formula> (1,948)
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>  <Item Name> (1,948)
BHQ

>  <Catalog Number> (1,948)
S3628

>  <Synonyms> (1,948)
2,5-di-t-butyl-1,4-benzohydroquinone

>  <Target> (1,948)
SERCA

>  <Form> (1,948)
free base

>  <URL> (1,948)
http://www.selleckchem.com/products/bhq.html

>  <CAS Number> (1,948)
88-58-4

$$$$
S3715 Boldenone Undecylenate.cdx
csChFnd80/10101811552D

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>  <Formula> (1,949)
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>  <MolWeight> (1,949)
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>  <Item Name> (1,949)
Boldenone Undecylenate

>  <Catalog Number> (1,949)
S3715

>  <Synonyms> (1,949)
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>  <Target> (1,949)
androgen receptor

>  <Form> (1,949)
free base

>  <URL> (1,949)
http://www.selleckchem.com/products/boldenone-undecylenate.html

>  <CAS Number> (1,949)
13103-34-9

$$$$
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M  END
>  <Mol_ID> (1,950)
3427

>  <Formula> (1,950)
C23H22O6

>  <MolWeight> (1,950)
394.41718

>  <Item Name> (1,950)
Rotenone (Barbasco)

>  <Catalog Number> (1,950)
S2348

>  <Synonyms> (1,950)
Barbasco, Dactinol, Paraderil, Rotenon, Rotocide

>  <Target> (1,950)
Antifection

>  <Form> (1,950)
free base

>  <URL> (1,950)
http://www.selleckchem.com/products/rotenone-barbasco.html

>  <CAS Number> (1,950)
83-79-4

$$$$
S3664 Flupenthixol dihydrochloride.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,951)
3431

>  <Formula> (1,951)
C23H27Cl2F3N2OS

>  <MolWeight> (1,951)
507.4394896

>  <Item Name> (1,951)
Flupenthixol dihydrochloride

>  <Catalog Number> (1,951)
S3664

>  <Synonyms> (1,951)
N/A

>  <Target> (1,951)
dopamine receptors

>  <Form> (1,951)
dihydrochloride

>  <URL> (1,951)
http://www.selleckchem.com/products/flupenthixol-dihydrochloride.html

>  <CAS Number> (1,951)
51529-01-2

$$$$
S3748 Acamprosate Calcium.cdx
csChFnd80/10101811552D

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  9 10  1  0  0  0  0
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A   12
?0.5Ca2+?
M  END
>  <Mol_ID> (1,952)
3433

>  <Formula> (1,952)
C5H10NO4RS-

>  <MolWeight> (1,952)
180.2022

>  <Item Name> (1,952)
Acamprosate CalciuM

>  <Catalog Number> (1,952)
S3748

>  <Synonyms> (1,952)
N-Acetylhomotaurine Calcium, calcium acetylhomotaurinate

>  <Target> (1,952)
GABA Receptor

>  <Form> (1,952)
calcium salt

>  <URL> (1,952)
http://www.selleckchem.com/products/acamprosate-calcium.html

>  <CAS Number> (1,952)
77337-73-6

$$$$
Colchicine.cdx
csChFnd80/10101811552D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,953)
3435

>  <Formula> (1,953)
C22H25NO6

>  <MolWeight> (1,953)
399.437

>  <Item Name> (1,953)
Colchicine

>  <Catalog Number> (1,953)
S2284

>  <Synonyms> (1,953)
Colchineos, Colchisol, Colcin

>  <Target> (1,953)
Microtubule Associated inhibitor 

>  <Form> (1,953)
free base

>  <URL> (1,953)
http://www.selleckchem.com/products/colchicine.html

>  <CAS Number> (1,953)
64-86-8

$$$$
Cinchonine.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,954)
3437

>  <Formula> (1,954)
C19H22N2O

>  <MolWeight> (1,954)
294.39078

>  <Catalog Number> (1,954)
S2283

>  <Synonyms> (1,954)
N/A

>  <Target> (1,954)
Others

>  <Form> (1,954)
free base

>  <URL> (1,954)
http://www.selleckchem.com/products/cinchonine.html

>  <CAS Number> (1,954)
118-10-5

$$$$
S3666 Ilaprazole.cdx
csChFnd80/10101811552D

 26 29  0  0  0  0  0  0  0  0999 V2000
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Proton pump,TOPK 

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172152-36-2

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csChFnd80/10101811552D

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NSC 129010, 4-(Bromoacetyl)anisole

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PTP

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free base

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http://www.selleckchem.com/products/ptp-inhibitor-2.html

>  <CAS Number> (1,956)
2632-13-5

$$$$
S3643 Amitraz.cdx
csChFnd80/10101811552D

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¦Á2 adrenergic receptor

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free base

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33089-61-1

$$$$
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csChFnd80/10101811552D

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No

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34240-05-6

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    9.4903    1.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  6 12  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,970)
3483

>  <Formula> (1,970)
C8H14O2S2

>  <MolWeight> (1,970)
206.32556

>  <Item Name> (1,970)
Alphalipoic acid

>  <Catalog Number> (1,970)
S3954

>  <Synonyms> (1,970)
thioctic acid

>  <Target> (1,970)
ROS

>  <Form> (1,970)
free base

>  <URL> (1,970)
http://www.selleckchem.com/products/alphalipoic-acid.html

>  <CAS Number> (1,970)
1077-28-7

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/10101811552D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1100    3.6488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5066    3.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900    1.2240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3900    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
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  5 10  1  1  0  0  0
  7  9  1  0  0  0  0
  9 11  1  6  0  0  0
M  END
>  <Mol_ID> (1,971)
3493

>  <Formula> (1,971)
C6H13NO4

>  <MolWeight> (1,971)
163.17172

>  <Item Name> (1,971)
1-Deoxynojirimycin

>  <Catalog Number> (1,971)
S3839

>  <Synonyms> (1,971)
duvoglustat, moranolin

>  <Target> (1,971)
¦Á-glucosidase

>  <Form> (1,971)
free base

>  <URL> (1,971)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

>  <CAS Number> (1,971)
19130-96-2

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/10101811552D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.2770    2.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858    3.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9751    4.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1192    1.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6523    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    5.0390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3108    4.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5318    1.7680    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  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
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 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,972)
3497

>  <Formula> (1,972)
C13H13ClN2O

>  <MolWeight> (1,972)
248.70812

>  <Item Name> (1,972)
Harmine hydrochloride

>  <Catalog Number> (1,972)
S3817

>  <Synonyms> (1,972)
telepathine hydrochloride

>  <Target> (1,972)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (1,972)
hydrochloride

>  <URL> (1,972)
http://www.selleckchem.com/products/harmine-hydrochloride.html

>  <CAS Number> (1,972)
343-27-1

$$$$
S3833 Amentoflavone.cdx
csChFnd80/10101811552D

 40 45  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,973)
3509

>  <Formula> (1,973)
C30H18O10

>  <MolWeight> (1,973)
538.45792

>  <Item Name> (1,973)
Amentoflavone

>  <Catalog Number> (1,973)
S3833

>  <Synonyms> (1,973)
Didemethyl Ginkgetin

>  <Target> (1,973)
Others

>  <Form> (1,973)
free base

>  <URL> (1,973)
http://www.selleckchem.com/products/amentoflavone.html

>  <CAS Number> (1,973)
1617-53-4

$$$$
S3835 Loganin.cdx
csChFnd80/10101811552D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.2655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0622    6.5655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5183    6.8329    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    9.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5183    9.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
  2 28  1  1  0  0  0
  3  7  1  1  0  0  0
  3  8  1  0  0  0  0
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  5 10  2  0  0  0  0
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  6  9  1  0  0  0  0
 12  7  1  1  0  0  0
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M  END
>  <Mol_ID> (1,974)
3511

>  <Formula> (1,974)
C17H26O10

>  <MolWeight> (1,974)
390.38234

>  <Item Name> (1,974)
Loganin

>  <Catalog Number> (1,974)
S3835

>  <Synonyms> (1,974)
Loganoside

>  <Target> (1,974)
AChE,BACE1,BChE

>  <Form> (1,974)
free base

>  <URL> (1,974)
http://www.selleckchem.com/products/loganin.html

>  <CAS Number> (1,974)
18524-94-2

$$$$
S3841 Eleutheroside B.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (1,975)
3515

>  <Formula> (1,975)
C17H24O9

>  <MolWeight> (1,975)
372.36706

>  <Item Name> (1,975)
Eleutheroside B

>  <Catalog Number> (1,975)
S3841

>  <Synonyms> (1,975)
syringin, Syringoside, Lilacin

>  <Target> (1,975)
Others

>  <Form> (1,975)
free base

>  <URL> (1,975)
http://www.selleckchem.com/products/eleutheroside-b.html

>  <CAS Number> (1,975)
118-34-3

$$$$
S3968 Histamine.cdx
csChFnd80/10101811552D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,976)
3519

>  <Formula> (1,976)
C5H9N3

>  <MolWeight> (1,976)
111.14506

>  <Item Name> (1,976)
Histamine

>  <Catalog Number> (1,976)
S3968

>  <Synonyms> (1,976)
N/A

>  <Target> (1,976)
Histamine receptor

>  <Form> (1,976)
free base

>  <URL> (1,976)
http://www.selleckchem.com/products/histamine.html

>  <CAS Number> (1,976)
51-45-6

$$$$
S3758 Sinomenine hydrochloride.cdx
csChFnd80/10101811552D

 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
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 21  9  1  0  0  0  0
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 16 24  1  0  0  0  0
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 25 20  1  6  0  0  0
M  CFW  27 BOND_GSTEREO 4
M  END
>  <Mol_ID> (1,977)
3534

>  <Formula> (1,977)
C19H24ClNO4

>  <MolWeight> (1,977)
365.85116

>  <Item Name> (1,977)
Sinomenine hydrochloride

>  <Catalog Number> (1,977)
S3758

>  <Synonyms> (1,977)
Cucoline hydrochloride, Kukoline hydrochloride, Sabianine A hydrochloride

>  <Target> (1,977)
Immunology & Inflammation

>  <Form> (1,977)
hydrochloride

>  <URL> (1,977)
http://www.selleckchem.com/products/sinomenine-hydrochloride.html

>  <CAS Number> (1,977)
6080-33-7

$$$$
S3780 Secoisolariciresinol diglucoside.cdx
csChFnd80/10101811552D

 48 51  0  0  0  0  0  0  0  0999 V2000
    7.2829    7.7171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2829    6.3171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0705    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4954    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4954    5.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    5.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    9.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4954    9.8171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4954    4.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0705    4.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8636   10.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787   10.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7078   10.5171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7004    3.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 37 45  1  6  0  0  0
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 42 47  1  6  0  0  0
 43 48  1  0  0  0  0
M  END
>  <Mol_ID> (1,978)
3545

>  <Formula> (1,978)
C32H46O16

>  <MolWeight> (1,978)
686.69804

>  <Item Name> (1,978)
Secoisolariciresinol diglucoside

>  <Catalog Number> (1,978)
S3780

>  <Synonyms> (1,978)
N/A

>  <Target> (1,978)
Others

>  <Form> (1,978)
free base

>  <URL> (1,978)
http://www.selleckchem.com/products/secoisolariciresinol-diglucoside.html

>  <CAS Number> (1,978)
148244-82-0

$$$$
S3929 Liquiritigenin.cdx
csChFnd80/10101811552D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
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  4 10  2  0  0  0  0
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  3 11  2  0  0  0  0
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  1 12  1  1  0  0  0
  8 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,979)
3549

>  <Formula> (1,979)
C15H12O4

>  <MolWeight> (1,979)
256.25338

>  <Item Name> (1,979)
Liquiritigenin

>  <Catalog Number> (1,979)
S3929

>  <Synonyms> (1,979)
4',7-Dihydroxyflavanone

>  <Target> (1,979)
ER¦Â,VEGF

>  <Form> (1,979)
free base

>  <URL> (1,979)
http://www.selleckchem.com/products/liquiritigenin.html

>  <CAS Number> (1,979)
578-86-9

$$$$
S4766 Gibberellic acid.cdx
csChFnd80/10101811552D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.0513    4.4188    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4356    4.5089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.3077    5.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3503    2.6905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.6971    5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3479    3.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9137    1.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  6  0  0  0
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  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  1  0  0  0
  6  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  1  0  0  0
  9 16  1  0  0  0  0
  9 10  1  6  0  0  0
  9 26  1  0  0  0  0
 10 17  2  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
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 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
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 16 22  1  1  0  0  0
 18 23  1  6  0  0  0
 18 19  1  1  0  0  0
 19 24  2  0  0  0  0
  2 27  1  1  0  0  0
M  CFW  22 BOND_GSTEREO 5
M  END
>  <Mol_ID> (1,980)
3568

>  <Formula> (1,980)
C19H22O6

>  <MolWeight> (1,980)
346.37438

>  <Item Name> (1,980)
Gibberellic acid

>  <Catalog Number> (1,980)
S4766

>  <Synonyms> (1,980)
Gibberellin, Gibberellin A3, GA3

>  <Target> (1,980)
Others

>  <Form> (1,980)
free base

>  <URL> (1,980)
http://www.selleckchem.com/products/gibberellic-acid.html

>  <CAS Number> (1,980)
77-06-5

$$$$
S3945 L-Cycloserine.cdx
csChFnd80/10101811552D

  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> (1,981)
3572

>  <Formula> (1,981)
C3H6N2O2

>  <MolWeight> (1,981)
102.09194

>  <Item Name> (1,981)
L-Cycloserine

>  <Catalog Number> (1,981)
S3945

>  <Synonyms> (1,981)
Levcycloserine, Levcicloserina, Levcycloserinum, (-)-Cycloserine, (S)-Cycloserine

>  <Target> (1,981)
3-ketodihydrosphingosine synthetase

>  <Form> (1,981)
free base

>  <URL> (1,981)
http://www.selleckchem.com/products/l-cycloserine.html

>  <CAS Number> (1,981)
339-72-0

$$$$
S3979 Zinc Undecylenate.cdx
csChFnd80/10101811552D

 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
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    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
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 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 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> (1,982)
3575

>  <Formula> (1,982)
C22H38O4Zn

>  <MolWeight> (1,982)
431.92472

>  <Item Name> (1,982)
Zinc Undecylenate

>  <Catalog Number> (1,982)
S3979

>  <Synonyms> (1,982)
Zinc diundec-10-enoate, Zinc 10-undecenoate

>  <Target> (1,982)
Antifection

>  <Form> (1,982)
zinc salt

>  <URL> (1,982)
http://www.selleckchem.com/products/zinc-undecylenate.html

>  <CAS Number> (1,982)
557-08-4

$$$$
S3812 Monocrotaline.cdx
csChFnd80/10101811552D

 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
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    2.2707    7.0705    0.0000 C   0  0  2  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 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> (1,983)
3577

>  <Formula> (1,983)
C16H23NO6

>  <MolWeight> (1,983)
325.35692

>  <Item Name> (1,983)
Monocrotaline

>  <Catalog Number> (1,983)
S3812

>  <Synonyms> (1,983)
Crotaline

>  <Target> (1,983)
Others

>  <Form> (1,983)
free base

>  <URL> (1,983)
http://www.selleckchem.com/products/monocrotaline.html

>  <CAS Number> (1,983)
315-22-0

$$$$
S3888 3,4`,5-Trimethoxy-trans-stilbene.cdx
csChFnd80/10101811552D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8487    4.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    4.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    2.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    4.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6311    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    4.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6311    0.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 18  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,984)
3581

>  <Formula> (1,984)
C17H18O3

>  <MolWeight> (1,984)
270.32302

>  <Item Name> (1,984)
3,4',5-Trimethoxy-trans-stilbene

>  <Catalog Number> (1,984)
S3888

>  <Synonyms> (1,984)
MR-3

>  <Target> (1,984)
Others

>  <Form> (1,984)
free base

>  <URL> (1,984)
http://www.selleckchem.com/products/3-4-5-trimethoxy-trans-stilbene.html

>  <CAS Number> (1,984)
22255-22-7

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/10101811552D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,985)
3586

>  <Formula> (1,985)
C17H15N9

>  <MolWeight> (1,985)
345.3613

>  <Item Name> (1,985)
Savolitinib(AZD6094, HMPL-504)

>  <Catalog Number> (1,985)
S7674

>  <Synonyms> (1,985)
Volitinib

>  <Target> (1,985)
MET

>  <Form> (1,985)
free base

>  <URL> (1,985)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

>  <CAS Number> (1,985)
1313725-88-0

$$$$
S3881 Scopoletin.cdx
csChFnd80/10101811552D

 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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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (1,986)
3592

>  <Formula> (1,986)
C10H8O4

>  <MolWeight> (1,986)
192.16812

>  <Item Name> (1,986)
Scopoletin

>  <Catalog Number> (1,986)
S3881

>  <Synonyms> (1,986)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (1,986)
Immunology & Inflammation related

>  <Form> (1,986)
free base

>  <URL> (1,986)
http://www.selleckchem.com/products/scopoletin.html

>  <CAS Number> (1,986)
92-61-5

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/10101811552D

 21 19  0  0  0  0  0  0  0  0999 V2000
   14.5492    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8865    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6496    1.9007    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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M  END
>  <Mol_ID> (1,987)
3596

>  <Formula> (1,987)
C14H27NaO5S

>  <MolWeight> (1,987)
330.41595

>  <Item Name> (1,987)
Sodium Houttuyfonate

>  <Catalog Number> (1,987)
S3801

>  <Synonyms> (1,987)
N/A

>  <Target> (1,987)
Antifection

>  <Form> (1,987)
sodium salt

>  <URL> (1,987)
http://www.selleckchem.com/products/sodium-houttuyfonate.html

>  <CAS Number> (1,987)
1847-58-1

$$$$
S3807 Dehydroandrographolide.cdx
csChFnd80/10101811552D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.6568    3.0971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8805    5.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6568    5.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    3.0971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3568    1.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  3  9  1  0  0  0  0
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  5 13  1  0  0  0  0
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 11 13  1  0  0  0  0
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  9 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,988)
3600

>  <Formula> (1,988)
C20H28O4

>  <MolWeight> (1,988)
332.43392

>  <Item Name> (1,988)
Dehydroandrographolide

>  <Catalog Number> (1,988)
S3807

>  <Synonyms> (1,988)
N/A

>  <Target> (1,988)
Others

>  <Form> (1,988)
free base

>  <URL> (1,988)
http://www.selleckchem.com/products/dehydroandrographolide.html

>  <CAS Number> (1,988)
134418-28-3

$$$$
S3919 Hederacoside C.cdx
csChFnd80/10101811552D

 88 97  0  0  0  0  0  0  0  0999 V2000
   16.9748   15.5993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   18.1172   14.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5428   15.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7467   17.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0926   13.5604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3945   15.5377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5428   14.2970    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.3512   13.5604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   21.7652   13.4129    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9931   13.5604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   21.1144    9.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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N/A

>  <Target> (1,992)
FGFR4

>  <Form> (1,992)
free base

>  <URL> (1,992)
http://www.selleckchem.com/products/h3b-6527.html

>  <CAS Number> (1,992)
1702259-66-2

$$$$
S3681.cdx
csChFnd80/10101811552D

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Vitamin E Acetate

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S3681

>  <Synonyms> (1,993)
Tocopherol acetate

>  <Target> (1,993)
Others

>  <Form> (1,993)
free base

>  <URL> (1,993)
http://www.selleckchem.com/products/vitamin-e-acetate.html

>  <CAS Number> (1,993)
58-95-7

$$$$
S3926 Forsythin.cdx
csChFnd80/10101811552D

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3642

>  <Formula> (1,994)
C27H34O11

>  <MolWeight> (1,994)
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>  <Item Name> (1,994)
Forsythin

>  <Catalog Number> (1,994)
S3926

>  <Synonyms> (1,994)
Phillyrin

>  <Target> (1,994)
Others

>  <Form> (1,994)
free base

>  <URL> (1,994)
http://www.selleckchem.com/products/forsythin.html

>  <CAS Number> (1,994)
487-41-2

$$$$
S3907 Bulleyaconi cine A.cdx
csChFnd80/10101811552D

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3652

>  <Formula> (1,995)
C35H49NO9

>  <MolWeight> (1,995)
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>  <Item Name> (1,995)
Bulleyaconi cine A

>  <Catalog Number> (1,995)
S3907

>  <Synonyms> (1,995)
Bulleyaconitine A, Bulleyaconi cine A

>  <Target> (1,995)
Sodium channel

>  <Form> (1,995)
free base

>  <URL> (1,995)
http://www.selleckchem.com/products/bulleyaconi-cine-a.html

>  <CAS Number> (1,995)
107668-79-1

$$$$
S3866 Galanthamine.cdx
csChFnd80/10101811552D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.9209    2.7509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6020    2.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8272    1.3780    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1920    1.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3779    3.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0925    0.6475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891    1.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7594    3.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6392    1.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7380    3.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0228    5.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3545    2.0604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7722    5.7820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4295    2.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3429    0.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6598    7.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6984    0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6017    5.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1961    3.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5583    4.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  5  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  6  0  0  0
  4  9  2  0  0  0  0
  4  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 12  1  0  0  0  0
 21  8  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 12 19  1  1  0  0  0
 13 16  1  0  0  0  0
 13 20  1  0  0  0  0
 15 17  1  0  0  0  0
 21  1  1  0  0  0  0
  1 22  1  6  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,996)
3665

>  <Formula> (1,996)
C17H21NO3

>  <MolWeight> (1,996)
287.35354

>  <Item Name> (1,996)
Galanthamine

>  <Catalog Number> (1,996)
S3866

>  <Synonyms> (1,996)
Nivalin, Razadyne, Razadyne ER, Reminyl, Lycoremine

>  <Target> (1,996)
acetylcholinesterase

>  <Form> (1,996)
free base

>  <URL> (1,996)
http://www.selleckchem.com/products/galanthamine.html

>  <CAS Number> (1,996)
357-70-0

$$$$
S3868 Harmine.cdx
csChFnd80/10101811552D

 16 18  0  0  0  0  0  0  0  0999 V2000
    6.3186    2.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9463    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0313    1.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0112    3.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8022    0.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8238    2.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0983    0.1451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4312    1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4198    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5527    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5494    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1355    2.4085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4087    0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1357    0.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,997)
3666

>  <Formula> (1,997)
C13H12N2O

>  <MolWeight> (1,997)
212.24718

>  <Item Name> (1,997)
Harmine

>  <Catalog Number> (1,997)
S3868

>  <Synonyms> (1,997)
telepathine

>  <Target> (1,997)
PPAR¦Ã,MAO-A

>  <Form> (1,997)
free base

>  <URL> (1,997)
http://www.selleckchem.com/products/harmine.html

>  <CAS Number> (1,997)
442-51-3

$$$$
S3869 Methyl protocatechuate.cdx
csChFnd80/10101811552D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6226    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    2.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    2.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0450    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0203    2.7972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2636    2.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,998)
3667

>  <Formula> (1,998)
C8H8O4

>  <MolWeight> (1,998)
168.14672

>  <Item Name> (1,998)
Methyl protocatechuate

>  <Catalog Number> (1,998)
S3869

>  <Synonyms> (1,998)
Methyl 3,4-dihydroxybenzoate; 3,4-Dihydroxybenzoic acid methyl ester

>  <Target> (1,998)
Others

>  <Form> (1,998)
free base

>  <URL> (1,998)
http://www.selleckchem.com/products/methyl-protocatechuate.html

>  <CAS Number> (1,998)
2150-43-8

$$$$
S3850 Glucosamine sulfate.cdx
csChFnd80/10101811552D

 17 15  0  0  0  0  0  0  0  0999 V2000
    3.9139    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3139    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5139    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.1413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.1413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    8.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.7413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  6  0  0  0
  7 10  1  0  0  0  0
  7 11  1  6  0  0  0
  8 12  1  0  0  0  0
  8 13  1  6  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,999)
3670

>  <Formula> (1,999)
C6H15NO9S

>  <MolWeight> (1,999)
277.2496

>  <Item Name> (1,999)
Glucosamine sulfate

>  <Catalog Number> (1,999)
S3850

>  <Synonyms> (1,999)
D-Glucosaminesulfate, D-Glucosamine sulphate

>  <Target> (1,999)
Others

>  <Form> (1,999)
sulfate

>  <URL> (1,999)
http://www.selleckchem.com/products/glucosamine-sulfate.html

>  <CAS Number> (1,999)
29031-19-4

$$$$
S3898 Hydroxy Camptothecine.cdx
csChFnd80/10101811552D

 27 31  0  0  0  0  0  0  0  0999 V2000
    9.4336    2.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2459    4.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0378    1.7141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0787    3.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6639    5.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6272    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4145    1.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6854    1.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1416    0.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    4.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2868    5.4817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4702    6.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2092    2.6736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3226    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1172    4.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4255    6.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1280    6.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8840    4.0681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9054    6.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6574    4.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    6.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4456    6.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1975    4.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9011    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  6  0  0  0
  3  9  1  1  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  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  2  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
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,000)
3683

>  <Formula> (2,000)
C20H16N2O5

>  <MolWeight> (2,000)
364.35144

>  <Item Name> (2,000)
Hydroxy Camptothecine

>  <Catalog Number> (2,000)
S3898

>  <Synonyms> (2,000)
10-Hydroxycamptothecin, Hydroxycamptothecine

>  <Target> (2,000)
DNA topoisomerase I

>  <Form> (2,000)
free base

>  <URL> (2,000)
http://www.selleckchem.com/products/hydroxy-camptothecine.html

>  <CAS Number> (2,000)
64439-81-2

$$$$
Takinib.cdx
csChFnd80/10101811552D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    3.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.9686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    4.8360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    2.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    7.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792    3.6235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 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
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  2  0  0  0  0
 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,001)
3702

>  <Formula> (2,001)
C18H18N4O2

>  <MolWeight> (2,001)
322.36112

>  <Item Name> (2,001)
Takinib

>  <Catalog Number> (2,001)
S8663

>  <Synonyms> (2,001)
EDHS-206

>  <Target> (2,001)
TAK1,IRAK4,IRAK1

>  <Form> (2,001)
free base

>  <URL> (2,001)
http://www.selleckchem.com/products/takinib.html

>  <CAS Number> (2,001)
1111556-37-6

$$$$
CA3.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,002)
3703

>  <Formula> (2,002)
C23H27N3O5S2

>  <MolWeight> (2,002)
489.60758

>  <Item Name> (2,002)
CA3

>  <Catalog Number> (2,002)
S8661

>  <Synonyms> (2,002)
N/A

>  <Target> (2,002)
YAP/TEAD interaction

>  <Form> (2,002)
free base

>  <URL> (2,002)
http://www.selleckchem.com/products/ca3.html

>  <CAS Number> (2,002)
300802-28-2

$$$$
S3818 Tectoridin.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,003)
3706

>  <Formula> (2,003)
C22H22O11

>  <MolWeight> (2,003)
462.40348

>  <Item Name> (2,003)
Tectoridin

>  <Catalog Number> (2,003)
S3818

>  <Synonyms> (2,003)
Shekanin

>  <Target> (2,003)
Others

>  <Form> (2,003)
free base

>  <URL> (2,003)
http://www.selleckchem.com/products/tectoridin.html

>  <CAS Number> (2,003)
611-40-5

$$$$
IDO inhibitor 1.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,004)
3713

>  <Formula> (2,004)
C29H35N7O

>  <MolWeight> (2,004)
497.6345

>  <Item Name> (2,004)
IDO inhibitor 1

>  <Catalog Number> (2,004)
S8557

>  <Synonyms> (2,004)
N/A

>  <Target> (2,004)
IDO

>  <Form> (2,004)
free base

>  <URL> (2,004)
http://www.selleckchem.com/products/mucic-acid.html

>  <CAS Number> (2,004)
1668565-74-9

$$$$
S4779 Menadiol Diacetate.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,005)
3724

>  <Formula> (2,005)
C15H14O4

>  <MolWeight> (2,005)
258.26926

>  <Item Name> (2,005)
Menadiol Diacetate

>  <Catalog Number> (2,005)
S4779

>  <Synonyms> (2,005)
Vitamin K4, Acetomenaphthone, Kapilin

>  <Target> (2,005)
Others

>  <Form> (2,005)
free base

>  <URL> (2,005)
http://www.selleckchem.com/products/menadiol-diacetate.html

>  <CAS Number> (2,005)
573-20-6

$$$$
S4781 Xanthoxyline.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,006)
3726

>  <Formula> (2,006)
C10H12O4

>  <MolWeight> (2,006)
196.19988

>  <Item Name> (2,006)
Xanthoxyline

>  <Catalog Number> (2,006)
S4781

>  <Synonyms> (2,006)
Brevifolin

>  <Target> (2,006)
Others

>  <Form> (2,006)
free base

>  <URL> (2,006)
http://www.selleckchem.com/products/xanthoxyline.html

>  <CAS Number> (2,006)
90-24-4

$$$$
S4769 L-5-Hydroxytryptophan.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,007)
3734

>  <Formula> (2,007)
C11H12N2O3

>  <MolWeight> (2,007)
220.22458

>  <Item Name> (2,007)
L-5-Hydroxytryptophan

>  <Catalog Number> (2,007)
S4769

>  <Synonyms> (2,007)
L-oxitriptan

>  <Target> (2,007)
Others

>  <Form> (2,007)
free base

>  <URL> (2,007)
http://www.selleckchem.com/products/l-5-hydroxytryptophan.html

>  <CAS Number> (2,007)
4350-09-8

$$$$
S4775 Cortodoxone.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,008)
3740

>  <Formula> (2,008)
C21H30O4

>  <MolWeight> (2,008)
346.4605

>  <Item Name> (2,008)
Cortodoxone

>  <Catalog Number> (2,008)
S4775

>  <Synonyms> (2,008)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (2,008)
Glucocorticoid Receptor

>  <Form> (2,008)
free base

>  <URL> (2,008)
http://www.selleckchem.com/products/cortodoxone.html

>  <CAS Number> (2,008)
152-58-9

$$$$
S4777 Plumbagin.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,009)
3742

>  <Formula> (2,009)
C11H8O3

>  <MolWeight> (2,009)
188.17942

>  <Item Name> (2,009)
Plumbagin

>  <Catalog Number> (2,009)
S4777

>  <Synonyms> (2,009)
Plumbagine, Plumbaein, Plumbagone

>  <Target> (2,009)
Others

>  <Form> (2,009)
free base

>  <URL> (2,009)
http://www.selleckchem.com/products/plumbagin.html

>  <CAS Number> (2,009)
481-42-5

$$$$
LLY-283.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,010)
3745

>  <Formula> (2,010)
C17H18N4O4

>  <MolWeight> (2,010)
342.34922

>  <Item Name> (2,010)
LLY-283

>  <Catalog Number> (2,010)
S8479

>  <Synonyms> (2,010)
N/A

>  <Target> (2,010)
PRMT5

>  <Form> (2,010)
free base

>  <URL> (2,010)
http://www.selleckchem.com/products/lly-283.html

>  <CAS Number> (2,010)
2040291-27-6

$$$$
IPI-3063.cdx
csChFnd80/10101811552D

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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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  9 19  1  0  0  0  0
 11 20  2  0  0  0  0
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M  END
>  <Mol_ID> (2,011)
3746

>  <Formula> (2,011)
C25H25N7O2

>  <MolWeight> (2,011)
455.5117

>  <Item Name> (2,011)
IPI-3063

>  <Catalog Number> (2,011)
S7335

>  <Synonyms> (2,011)
N/A

>  <Target> (2,011)
p110¦Ä

>  <Form> (2,011)
free base

>  <URL> (2,011)
http://www.selleckchem.com/products/ipi-3063.html

>  <CAS Number> (2,011)
1425043-73-7

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/10101811552D

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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,012)
3773

>  <Formula> (2,012)
C6H6Na3O9P

>  <MolWeight> (2,012)
322.049511

>  <Item Name> (2,012)
Sodium L-ascorbyl-2-phosphate

>  <Catalog Number> (2,012)
S5115

>  <Synonyms> (2,012)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (2,012)
Others

>  <Form> (2,012)
sodium salt

>  <URL> (2,012)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

>  <CAS Number> (2,012)
66170-10-3

$$$$
PF-06651600.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,013)
3776

>  <Formula> (2,013)
C15H19N5O

>  <MolWeight> (2,013)
285.34426

>  <Item Name> (2,013)
PF-06651600

>  <Catalog Number> (2,013)
S8538

>  <Synonyms> (2,013)
N/A

>  <Target> (2,013)
JAK3 

>  <Form> (2,013)
free base

>  <URL> (2,013)
http://www.selleckchem.com/products/pf-06651600.html

>  <CAS Number> (2,013)
1792180-81-4

$$$$
GO-203.cdx
csChFnd80/10101811552D

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trifluoroacetate

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Cefuroxime axetil

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S4813

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N/A

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Antifection

>  <Form> (2,017)
free base

>  <URL> (2,017)
http://www.selleckchem.com/products/cefuroxime-axetil.html

>  <CAS Number> (2,017)
64544-07-6

$$$$
UNC0642.cdx
csChFnd80/10101811552D

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3809

>  <Formula> (2,018)
C29H44F2N6O2

>  <MolWeight> (2,018)
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>  <Item Name> (2,018)
UNC0642

>  <Catalog Number> (2,018)
S7230

>  <Synonyms> (2,018)
N/A

>  <Target> (2,018)
G9a,GLP

>  <Form> (2,018)
free base

>  <URL> (2,018)
http://www.selleckchem.com/products/unc0642.html

>  <CAS Number> (2,018)
1481677-78-4

$$$$
S3987 L-Tryptophan.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,019)
3813

>  <Formula> (2,019)
C11H12N2O2

>  <MolWeight> (2,019)
204.22518

>  <Item Name> (2,019)
L-Tryptophan

>  <Catalog Number> (2,019)
S3987

>  <Synonyms> (2,019)
N/A

>  <Target> (2,019)
Others

>  <Form> (2,019)
free base

>  <URL> (2,019)
http://www.selleckchem.com/products/l-tryptophan.html

>  <CAS Number> (2,019)
73-22-3

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/10101811552D

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3814

>  <Formula> (2,020)
C9H10N4O4

>  <MolWeight> (2,020)
238.2001

>  <Item Name> (2,020)
Theophylline-7-acetic acid

>  <Catalog Number> (2,020)
S3988

>  <Synonyms> (2,020)
Acefylline, acetyloxytheophylline, Carboxymethyltheophylline

>  <Target> (2,020)
adenosine receptor

>  <Form> (2,020)
free base

>  <URL> (2,020)
http://www.selleckchem.com/products/theophylline-7-acetic.html

>  <CAS Number> (2,020)
652-37-9

$$$$
S3996 Thioctic acid.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,021)
3822

>  <Formula> (2,021)
C8H14O2S2

>  <MolWeight> (2,021)
206.32556

>  <Item Name> (2,021)
Thioctic acid

>  <Catalog Number> (2,021)
S3996

>  <Synonyms> (2,021)
DL-¦Á-Lipoic Acid

>  <Target> (2,021)
Others

>  <Form> (2,021)
free base

>  <URL> (2,021)
http://www.selleckchem.com/products/thioctic-acid.html

>  <CAS Number> (2,021)
1077-28-7

$$$$
2-D08.cdx
csChFnd80/10101811552D

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    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,022)
3845

>  <Formula> (2,022)
C15H10O5

>  <MolWeight> (2,022)
270.2369

>  <Item Name> (2,022)
2-D08
2-D08

>  <Catalog Number> (2,022)
S8696

>  <Synonyms> (2,022)
2',3',4'-trihydroxy flavone

>  <Target> (2,022)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (2,022)
free base

>  <URL> (2,022)
http://selleckchem.com/products/2-d08.html

>  <CAS Number> (2,022)
144707-18-6

$$$$
S3074 Chlortalidone.cdx
csChFnd80/10101811552D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.7581    3.5690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4630    3.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9705    4.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5742    2.4391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1881    4.8488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4630    1.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1731    3.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9705    5.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7754    1.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2402    1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0147    3.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3918    4.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1886    6.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2095    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3918    5.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5939    3.5842    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.3907    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8064    2.8842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8992    2.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2992    4.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 17  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,023)
3846

>  <Formula> (2,023)
C14H11ClN2O4S

>  <MolWeight> (2,023)
338.76614

>  <Item Name> (2,023)
Chlorthalidone

>  <Catalog Number> (2,023)
S3074

>  <Synonyms> (2,023)
Chlortalidone

>  <Target> (2,023)
Others

>  <Form> (2,023)
free base

>  <URL> (2,023)
http://selleckchem.com/products/chlorthalidone-chlortalidone.html

>  <CAS Number> (2,023)
77-36-1

$$$$
SHP099.cdx
csChFnd80/10101811552D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.2792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.8792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0618    0.2269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8477    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,024)
3850

>  <Formula> (2,024)
C16H20Cl3N5

>  <MolWeight> (2,024)
388.7225

>  <Item Name> (2,024)
SHP099 hydrochloride

>  <Catalog Number> (2,024)
S8278

>  <Synonyms> (2,024)
N/A

>  <Target> (2,024)
phosphatase

>  <Form> (2,024)
hydrochloride 

>  <URL> (2,024)
http://selleckchem.com/products/shp099-dihydrochloride.html

>  <CAS Number> (2,024)
1801747-42-1(free base)

$$$$
S4989 Aminooxyacetic acid hemihydrochloride.cdx
csChFnd80/10101811552D

  7  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.5084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3506    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
A    7
?0.5HCl?
M  END
>  <Mol_ID> (2,025)
3853

>  <Formula> (2,025)
C2H5NO3R

>  <MolWeight> (2,025)
91.066

>  <Item Name> (2,025)
AOA hemihydrochloride

>  <Catalog Number> (2,025)
S4989

>  <Synonyms> (2,025)
Carboxymethoxylamine hemihydrochloride, AOAA hemihydrochloride, AOA hemihydrochloride

>  <Target> (2,025)
Transferase

>  <Form> (2,025)
hemihydrochloride

>  <URL> (2,025)
http://selleckchem.com/products/aminooxyacetic-acid-hemihydrochloride.html

>  <CAS Number> (2,025)
2921-14-4

$$$$
S5047 Methyl ¦Á-D-mannopyranoside.cdx
csChFnd80/10101811552D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 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
    0.0000    4.2000    0.0000 O   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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  1  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  6  0  0  0
  6  9  1  0  0  0  0
  9 12  1  6  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,026)
3860

>  <Formula> (2,026)
C7H14O6

>  <MolWeight> (2,026)
194.18246

>  <Item Name> (2,026)
Methyl ¦Á-D-mannopyranoside

>  <Catalog Number> (2,026)
S5047

>  <Synonyms> (2,026)
N/A

>  <Target> (2,026)
Others

>  <Form> (2,026)
free base

>  <URL> (2,026)
http://selleckchem.com/products/methyl-alpha-d-mannopyranoside.html

>  <CAS Number> (2,026)
617-04-9

$$$$
S5063 Trelagliptin succinate.cdx
csChFnd80/10101811552D

 34 35  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    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
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    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4940    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7064    4.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9147    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1229    4.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3311    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7064    5.7240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5393    4.3289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3311    2.2362    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
  6  8  1  0  0  0  0
  3 10  1  0  0  0  0
  7 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 11  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  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
 22 26  1  1  0  0  0
  8  9  3  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
 28 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (2,027)
3864

>  <Formula> (2,027)
C22H26FN5O6

>  <MolWeight> (2,027)
475.4701432

>  <Item Name> (2,027)
Trelagliptin succinate

>  <Catalog Number> (2,027)
S5063

>  <Synonyms> (2,027)
N/A

>  <Target> (2,027)
DPP-4

>  <Form> (2,027)
succinate

>  <URL> (2,027)
http://selleckchem.com/products/trelagliptin-succinate.html

>  <CAS Number> (2,027)
1029877-94-8

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/10101811552D

 40 45  0  0  0  0  0  0  0  0999 V2000
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Itacitinib (INCB39110)

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S7812

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N/A

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JAK

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free base

>  <URL> (2,028)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

>  <CAS Number> (2,028)
1334298-90-6

$$$$
IWP-O1.cdx
csChFnd80/10101811552D

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3888

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C26H20N6O

>  <MolWeight> (2,029)
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IWP-O1

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S8645

>  <Synonyms> (2,029)
N/A

>  <Target> (2,029)
Wnt/beta-catenin

>  <Form> (2,029)
free base

>  <URL> (2,029)
http://selleckchem.com/products/iwp-O1.html

>  <CAS Number> (2,029)
2074607-48-8

$$$$
S4991 Valpromide.cdx
csChFnd80/10101811552D

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3894

>  <Formula> (2,030)
C8H17NO

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143.22668

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Valpromide

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S4991

>  <Synonyms> (2,030)
Depamide, Dipropylacetamide, 2-propylpentanamide

>  <Target> (2,030)
Others

>  <Form> (2,030)
free base

>  <URL> (2,030)
http://selleckchem.com/products/valpromide.html

>  <CAS Number> (2,030)
2430-27-5

$$$$
S5058 Revaprazan Hydrochloride.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,031)
3900

>  <Formula> (2,031)
C22H24ClFN4

>  <MolWeight> (2,031)
398.9041632

>  <Item Name> (2,031)
Revaprazan Hydrochloride

>  <Catalog Number> (2,031)
S5058

>  <Synonyms> (2,031)
YH1885

>  <Target> (2,031)
Proton Pump

>  <URL> (2,031)
http://selleckchem.com/products/revaprazan-hydrochloride.html

>  <CAS Number> (2,031)
178307-42-1

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/10101811552D

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>  <Formula> (2,032)
C21H17ClF4N4O4

>  <MolWeight> (2,032)
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>  <Item Name> (2,032)
Regorafenib Monohydrate

>  <Catalog Number> (2,032)
S5077

>  <Synonyms> (2,032)
N/A

>  <Target> (2,032)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (2,032)
monohydrate

>  <URL> (2,032)
http://selleckchem.com/products/regorafenib-monohydrate.html

>  <CAS Number> (2,032)
1019206-88-2

$$$$
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csChFnd80/10101811552D

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3906

>  <Formula> (2,033)
C16H15F6N5O

>  <MolWeight> (2,033)
407.3136192

>  <Item Name> (2,033)
Sitagliptin

>  <Catalog Number> (2,033)
S5079

>  <Synonyms> (2,033)
MK-0431

>  <Target> (2,033)
DPP-4

>  <Form> (2,033)
free base

>  <URL> (2,033)
http://selleckchem.com/products/sitagliptin.html

>  <CAS Number> (2,033)
486460-32-6

$$$$
S5304 2-Acetylphenothiazine.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,034)
3918

>  <Formula> (2,034)
C14H11NOS

>  <MolWeight> (2,034)
241.30824

>  <Item Name> (2,034)
2-Acetylphenothiazine (ML171)

>  <Catalog Number> (2,034)
S5304

>  <Synonyms> (2,034)
2-APT

>  <Target> (2,034)
NADPH-oxidase

>  <Form> (2,034)
free base

>  <URL> (2,034)
http://selleckchem.com/products/2-acetylphenothiazine-ml171.html

>  <CAS Number> (2,034)
6631-94-3

$$$$
BGB-3111.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,035)
3921

>  <Formula> (2,035)
C24H25N5O3

>  <MolWeight> (2,035)
431.487

>  <Item Name> (2,035)
Btk inhibitor 2

>  <Catalog Number> (2,035)
S8542

>  <Synonyms> (2,035)
N/A

>  <Target> (2,035)
BTK

>  <Form> (2,035)
free base

>  <URL> (2,035)
http://selleckchem.com/products/btk-inhibitor-2.html

>  <CAS Number> (2,035)
1558036-85-3

$$$$
kira6.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,036)
3922

>  <Formula> (2,036)
C28H25F3N6O

>  <MolWeight> (2,036)
518.5329096

>  <Item Name> (2,036)
kira6

>  <Catalog Number> (2,036)
S8658

>  <Synonyms> (2,036)
N/A

>  <Target> (2,036)
Others

>  <URL> (2,036)
http://selleckchem.com/products/kira6.html

>  <CAS Number> (2,036)
1589527-65-0

$$$$
S4836 Nilutamide.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,037)
3925

>  <Formula> (2,037)
C12H10F3N3O4

>  <MolWeight> (2,037)
317.2207096

>  <Item Name> (2,037)
Nilutamide

>  <Catalog Number> (2,037)
S4836

>  <Synonyms> (2,037)
RU23908

>  <Target> (2,037)
Androgen Receptor

>  <URL> (2,037)
http://selleckchem.com/products/nilutamide.html

>  <CAS Number> (2,037)
63612-50-0

$$$$
S4837 Ibudilast.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,038)
3926

>  <Formula> (2,038)
C14H18N2O

>  <MolWeight> (2,038)
230.30552

>  <Item Name> (2,038)
Ibudilast

>  <Catalog Number> (2,038)
S4837

>  <Synonyms> (2,038)
KC-404, AV411, MN166

>  <Target> (2,038)
PDE

>  <Form> (2,038)
free base

>  <URL> (2,038)
http://selleckchem.com/products/Ibudilast.html

>  <CAS Number> (2,038)
50847-11-5

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,039)
3938

>  <Formula> (2,039)
C18H13BrN2O4S2

>  <MolWeight> (2,039)
465.34082

>  <Item Name> (2,039)
Skp2 inhibitor C1 (SKPin C1)

>  <Catalog Number> (2,039)
S8652

>  <Synonyms> (2,039)
N/A

>  <Target> (2,039)
CDK

>  <URL> (2,039)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

>  <CAS Number> (2,039)
432001-69-9

$$$$
SNS-314.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,040)
3939

>  <Formula> (2,040)
C18H15ClN6OS2

>  <MolWeight> (2,040)
430.9343

>  <Item Name> (2,040)
SNS-314 Mesylate

>  <Catalog Number> (2,040)
S8699

>  <Synonyms> (2,040)
N/A

>  <Target> (2,040)
Aurora Kinase

>  <URL> (2,040)
http://selleckchem.com/products/sns-314.html

>  <CAS Number> (2,040)
1057249-41-8

$$$$
DIPRIVAN (propofol).cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,041)
3940

>  <Formula> (2,041)
C12H18O

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Usniacin

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free base

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http://selleckchem.com/products/usnic-acid.html

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125-46-2

$$$$
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BTK,Trk receptor,c-RET

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http://selleckchem.com/products/bms-935177.html

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1231889-53-4

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>  <URL> (2,044)
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1643913-93-2

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3967

>  <Formula> (2,045)
C34H30N2O6S

>  <MolWeight> (2,045)
594.6768

>  <Item Name> (2,045)
Pyrantel Pamoate 

>  <Catalog Number> (2,045)
S2501

>  <Synonyms> (2,045)
Pyrantel Embonate

>  <Target> (2,045)
Anti-infection

>  <Form> (2,045)
salt

>  <URL> (2,045)
http://selleckchem.com/products/Pyrantel-pamoate(Pyrantel-embonate).html

>  <CAS Number> (2,045)
22204-24-6

$$$$
>  <Mol_ID> (2,046)
3973

>  <Item Name> (2,046)
Diastase

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S4820

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N/A

>  <Target> (2,046)
Others

>  <URL> (2,046)
http://selleckchem.com/products/diastase.html

>  <CAS Number> (2,046)
9000-92-4

$$$$
S4831 Piperonyl butoxide.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,047)
3980

>  <Formula> (2,047)
C19H30O5

>  <MolWeight> (2,047)
338.4385

>  <Item Name> (2,047)
Piperonyl butoxide

>  <Catalog Number> (2,047)
S4831

>  <Synonyms> (2,047)
Butacide, Ethanol butoxide, Pyrenone 606

>  <Target> (2,047)
Others

>  <URL> (2,047)
http://selleckchem.com/products/piperonyl-butoxide.html

>  <CAS Number> (2,047)
51-03-6

$$$$
S4832 Tolmetin.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,048)
3981

>  <Formula> (2,048)
C15H15NO3

>  <MolWeight> (2,048)
257.2845

>  <Item Name> (2,048)
Tolmetin

>  <Catalog Number> (2,048)
S4832

>  <Synonyms> (2,048)
Tolectin

>  <Target> (2,048)
Immunology & Inflammation related

>  <Form> (2,048)
free base

>  <URL> (2,048)
http://selleckchem.com/products/tolmetin.html

>  <CAS Number> (2,048)
26171-23-3

$$$$
S4977 Efonidipine.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,049)
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>  <Formula> (2,049)
C34H38N3O7P

>  <MolWeight> (2,049)
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>  <Item Name> (2,049)
Efonidipine

>  <Catalog Number> (2,049)
S4977

>  <Synonyms> (2,049)
NZ-105

>  <Target> (2,049)
Calcium Channel

>  <Form> (2,049)
free base

>  <URL> (2,049)
http://selleckchem.com/products/efonidipine.html

>  <CAS Number> (2,049)
111011-63-3

$$$$
S5019 Indobufen.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,054)
4029

>  <Formula> (2,054)
C48H48N4O6S2

>  <MolWeight> (2,054)
841.04792

>  <Item Name> (2,054)
Mebhydrolin napadisylate

>  <Catalog Number> (2,054)
S5018

>  <Synonyms> (2,054)
Diazoline, Diazolin, Incidal, Omeril

>  <Target> (2,054)
Histamine Receptor

>  <Form> (2,054)
salt

>  <URL> (2,054)
http://selleckchem.com/products/mebhydrolin-napadisylate.html

>  <CAS Number> (2,054)
6153-33-9

$$$$
S5028 Dalfampridine4-Aminopyridine.cdx
csChFnd80/10101811552D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.1993    2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    2.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1993    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    0.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0120    0.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294    0.0000    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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  1  4  1  0  0  0  0
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  3  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,055)
4032

>  <Formula> (2,055)
C5H6N2

>  <MolWeight> (2,055)
94.11454

>  <Item Name> (2,055)
4-Aminopyridine

>  <Catalog Number> (2,055)
S5028

>  <Synonyms> (2,055)
fampridine, dalfampridine

>  <Target> (2,055)
Potassium Channel

>  <Form> (2,055)
free base

>  <URL> (2,055)
http://selleckchem.com/products/aminopyridine.html

>  <CAS Number> (2,055)
504-24-5

$$$$
RAF709.cdx
csChFnd80/10101811552D

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    6.0622    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> (2,056)
4050

>  <Formula> (2,056)
C28H29F3N4O4

>  <MolWeight> (2,056)
542.5494696

>  <Item Name> (2,056)
RAF709

>  <Catalog Number> (2,056)
S8690

>  <Synonyms> (2,056)
N/A

>  <Target> (2,056)
Raf

>  <Form> (2,056)
free base

>  <URL> (2,056)
http://selleckchem.com/products/raf709.html

>  <CAS Number> (2,056)
1628838-42-5

$$$$
Sodium valproate.cdx
csChFnd80/10101811552D

 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
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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  8  2  0  0  0  0
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 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,057)
4052

>  <Formula> (2,057)
C8H15NaO2

>  <MolWeight> (2,057)
166.19327

>  <Item Name> (2,057)
Valproic acid sodium salt (Sodium valproate)

>  <Catalog Number> (2,057)
S1168

>  <Synonyms> (2,057)
N/A 

>  <Target> (2,057)
GABA Receptor, HDAC

>  <URL> (2,057)
http://www.selleckchem.com/products/Sodium-valproate.html

>  <CAS Number> (2,057)
1069-66-5, 99-66-1 (FREE BASE)

$$$$
S4623 5,5-Dimethyloxazolidine-2,4-dione.cdx
csChFnd80/10101811552D

  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
    1.7819    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1742    2.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819    3.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7442    0.3264    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
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  1  5  1  0  0  0  0
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  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> (2,058)
4053

>  <Formula> (2,058)
C5H7NO3

>  <MolWeight> (2,058)
129.11398

>  <Item Name> (2,058)
5,5-Dimethyloxazolidine-2,4-dione

>  <Catalog Number> (2,058)
S4624

>  <Synonyms> (2,058)
Dimethadione, Dimethyloxazolidinedione, Dimethadion

>  <Target> (2,058)
Others

>  <Form> (2,058)
free base

>  <URL> (2,058)
http://selleckchem.com/products/5-5-dimethyloxazolidine-2-4-dione.html

>  <CAS Number> (2,058)
695-53-4

$$$$
S5307 2'-deoxy-2'-fluoro-2'-C-methyluridine.cdx
csChFnd80/10101811552D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.5635    5.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    4.1921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.4579    3.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,059)
4064

>  <Formula> (2,059)
C10H13FN2O5

>  <MolWeight> (2,059)
260.2190232

>  <Item Name> (2,059)
2'-deoxy-2'-fluoro-2'-C-methyluridine

>  <Catalog Number> (2,059)
S5307

>  <Synonyms> (2,059)
2'-deoxy-2'-fluoro-2'-C-methyluridine

>  <Target> (2,059)
HCV Protease

>  <Form> (2,059)
free base

>  <URL> (2,059)
http://selleckchem.com/products/psi-6206-ro-2433-gs-331007.html

>  <CAS Number> (2,059)
863329-66-2

$$$$
S5051 Pipemidic acid.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,060)
4075

>  <Formula> (2,060)
C14H17N5O3

>  <MolWeight> (2,060)
303.31648

>  <Item Name> (2,060)
Pipemidic acid

>  <Catalog Number> (2,060)
S5051

>  <Synonyms> (2,060)
Acido pipemidico 

>  <Target> (2,060)
Anti-infection

>  <Form> (2,060)
free base

>  <URL> (2,060)
http://selleckchem.com/products/pipemidic-acid.html

>  <CAS Number> (2,060)
51940-44-4

$$$$
S4999 Avermectin B1.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,061)
4082

>  <Formula> (2,061)
C48H72O14

>  <MolWeight> (2,061)
873.07688

>  <Item Name> (2,061)
Avermectin B1

>  <Catalog Number> (2,061)
S4999

>  <Synonyms> (2,061)
abamectin

>  <Target> (2,061)
Anti-infection

>  <URL> (2,061)
http://selleckchem.com/products/avermectin.html

>  <CAS Number> (2,061)
71751-41-2

$$$$
S5060 Metadoxine.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,062)
4083

>  <Formula> (2,062)
C13H18N2O6

>  <MolWeight> (2,062)
298.29182

>  <Item Name> (2,062)
 Metadoxine

>  <Catalog Number> (2,062)
S5060

>  <Synonyms> (2,062)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (2,062)
Others

>  <Form> (2,062)
salt

>  <URL> (2,062)
http://selleckchem.com/products/metadoxine.html

>  <CAS Number> (2,062)
74536-44-0

$$$$
S5229 Isosorbide dinitrate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,063)
4090

>  <Formula> (2,063)
C6H8N2O8

>  <MolWeight> (2,063)
236.13632

>  <Item Name> (2,063)
Isosorbide dinitrate

>  <Catalog Number> (2,063)
S5229

>  <Synonyms> (2,063)
Sorbide nitrate, Sorbidnitrate, Isordil, Nitrosorbide

>  <Target> (2,063)
Others

>  <Form> (2,063)
free base

>  <URL> (2,063)
http://selleckchem.com/products/isosorbide-dinitrate.html

>  <CAS Number> (2,063)
87-33-2

$$$$
S5269 J147.cdx
csChFnd80/10101811552D

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  1  4  1  0  0  0  0
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M  END
>  <Mol_ID> (2,064)
4093

>  <Formula> (2,064)
C18H17F3N2O2

>  <MolWeight> (2,064)
350.3349896

>  <Item Name> (2,064)
J147

>  <Catalog Number> (2,064)
S5269

>  <Synonyms> (2,064)
N/A

>  <Target> (2,064)
Others

>  <Form> (2,064)
free base

>  <URL> (2,064)
http://selleckchem.com/products/j147.html

>  <CAS Number> (2,064)
1146963-51-0

$$$$
S5273 Canrenone.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,065)
4094

>  <Formula> (2,065)
C22H28O3

>  <MolWeight> (2,065)
340.45592

>  <Item Name> (2,065)
Canrenone

>  <Catalog Number> (2,065)
S5273

>  <Synonyms> (2,065)
Aldadiene, SC-9376, RP-11614, 6,7-Dehydro-7¦Á-desthioacetylspironolactone

>  <Target> (2,065)
Others

>  <Form> (2,065)
free base

>  <URL> (2,065)
http://selleckchem.com/products/canrenone.html

>  <CAS Number> (2,065)
976-71-6

$$$$
S5274 GS967.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,066)
4095

>  <Formula> (2,066)
C14H7F6N3O

>  <MolWeight> (2,066)
347.2152992

>  <Item Name> (2,066)
 GS967

>  <Catalog Number> (2,066)
S5274

>  <Synonyms> (2,066)
GS458967

>  <Target> (2,066)
Sodium Channel

>  <Form> (2,066)
free base

>  <URL> (2,066)
http://selleckchem.com/products/gs967.html

>  <CAS Number> (2,066)
1262618-39-2

$$$$
S5484 Rimantadine Hydrochloride.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,067)
4112

>  <Formula> (2,067)
C12H22ClN

>  <MolWeight> (2,067)
215.76278

>  <Item Name> (2,067)
Rimantadine Hydrochloride

>  <Catalog Number> (2,067)
S5484

>  <Synonyms> (2,067)
N/A

>  <Target> (2,067)
DNA/RNA Synthesis

>  <Form> (2,067)
hydrochloride 

>  <URL> (2,067)
http://selleckchem.com/products/rimantadine-hydrochloride.html

>  <CAS Number> (2,067)
1501-84-4

$$$$
S5215 Abacavir.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,068)
4114

>  <Formula> (2,068)
C14H18N6O

>  <MolWeight> (2,068)
286.33232

>  <Item Name> (2,068)
Abacavir

>  <Catalog Number> (2,068)
S5215

>  <Synonyms> (2,068)
N/A

>  <Target> (2,068)
Reverse Transcriptase

>  <Form> (2,068)
free base

>  <URL> (2,068)
http://selleckchem.com/products/abacavir.html

>  <CAS Number> (2,068)
136470-78-5

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/10101811552D

 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
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M  END
>  <Mol_ID> (2,069)
4116

>  <Formula> (2,069)
C17H21N6O4P

>  <MolWeight> (2,069)
404.360201

>  <Item Name> (2,069)
Ruxolitinib Phosphate

>  <Catalog Number> (2,069)
S5243

>  <Synonyms> (2,069)
INCB018424, INC424

>  <Target> (2,069)
JAK

>  <Form> (2,069)
phosphate 

>  <URL> (2,069)
http://selleckchem.com/products/ruxolitinib-phosphate.html

>  <CAS Number> (2,069)
1092939-17-7

$$$$
S5253 Cisapride.cdx
csChFnd80/10101811552D

 32 34  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
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
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  5 10  2  0  0  0  0
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 12  7  1  1  0  0  0
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M  END
>  <Mol_ID> (2,070)
4118

>  <Formula> (2,070)
C23H29ClFN3O4

>  <MolWeight> (2,070)
465.9454632

>  <Item Name> (2,070)
Cisapride

>  <Catalog Number> (2,070)
S5253

>  <Synonyms> (2,070)
Kaudalit, Kinestase, Prepulsid, Presid, Pridesia, Propulsid

>  <Target> (2,070)
5-HT Receptor

>  <URL> (2,070)
http://selleckchem.com/products/cisapride.html

>  <CAS Number> (2,070)
81098-60-4

$$$$
S5268 Solithromycin.cdx
csChFnd80/10101811552D

 60 64  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,071)
4121

>  <Formula> (2,071)
C43H65FN6O10

>  <MolWeight> (2,071)
845.0088032

>  <Item Name> (2,071)
Solithromycin

>  <Catalog Number> (2,071)
S5268

>  <Synonyms> (2,071)
CEM-101, OP-1068

>  <Target> (2,071)
Anti-infection

>  <Form> (2,071)
free base

>  <URL> (2,071)
http://selleckchem.com/products/solithromycin.html

>  <CAS Number> (2,071)
760981-83-7

$$$$
S5313 SC66.cdx
csChFnd80/10101811552D

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161058-83-9

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 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (2,077)
4131

>  <Formula> (2,077)
C26H33NO2

>  <MolWeight> (2,077)
391.54572

>  <Item Name> (2,077)
Fenretinide

>  <Catalog Number> (2,077)
S5233

>  <Synonyms> (2,077)
4-hydroxy(phenyl)retinamide, 4-HPR, MK-4016

>  <Target> (2,077)
Others

>  <Form> (2,077)
free base

>  <URL> (2,077)
http://selleckchem.com/products/fenretinide.html

>  <CAS Number> (2,077)
65646-68-6

$$$$
S5271 Suloctidil.cdx
csChFnd80/10101811552D

 23 23  0  0  0  0  0  0  0  0999 V2000
    6.0640    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,078)
4135

>  <Formula> (2,078)
C20H35NOS

>  <MolWeight> (2,078)
337.563

>  <Item Name> (2,078)
Suloctidil

>  <Catalog Number> (2,078)
S5271

>  <Synonyms> (2,078)
N/A

>  <Target> (2,078)
Others

>  <Form> (2,078)
free base

>  <URL> (2,078)
http://selleckchem.com/products/suloctidil.html

>  <CAS Number> (2,078)
54767-75-8

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/10101811552D

 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
    2.4239    2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324    4.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8411    2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8408    5.5721    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
  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
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 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
 17 18  1  0  0  0  0
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 18 20  2  0  0  0  0
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 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,079)
4136

>  <Formula> (2,079)
C23H26ClN

>  <MolWeight> (2,079)
351.91224

>  <Item Name> (2,079)
Fendiline hydrochloride

>  <Catalog Number> (2,079)
S5279

>  <Synonyms> (2,079)
N/A

>  <Target> (2,079)
Calcium Channel,Ras

>  <Form> (2,079)
hydrochloride 

>  <URL> (2,079)
http://selleckchem.com/products/fendiline-hydrochloride.html

>  <CAS Number> (2,079)
13636-18-5

$$$$
S5286 Ramatroban.cdx
csChFnd80/10101811552D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.9247    5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9243    4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931    6.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1374    6.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5926    3.9301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1367    3.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7700    5.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0240    7.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3456    5.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.3494    4.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8084    6.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3648    0.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4591    6.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  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
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  5  7  1  0  0  0  0
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  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
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 10 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
 15 18  1  0  0  0  0
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 18 23  2  0  0  0  0
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 19 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,080)
4138

>  <Formula> (2,080)
C21H21FN2O4S

>  <MolWeight> (2,080)
416.4658432

>  <Item Name> (2,080)
Ramatroban

>  <Catalog Number> (2,080)
S5286

>  <Synonyms> (2,080)
BAY u 3405

>  <Target> (2,080)
Thrombin

>  <Form> (2,080)
free base

>  <URL> (2,080)
http://selleckchem.com/products/ramatroban.html

>  <CAS Number> (2,080)
116649-85-5

$$$$
S5295 Lincomycin Hydrochloride Monohydrate.cdx
csChFnd80/10101811552D

 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
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   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
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   12.4990    2.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5560    2.6663    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   16.5142    2.9565    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  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
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 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> (2,081)
4145

>  <Formula> (2,081)
C18H37ClN2O7S

>  <MolWeight> (2,081)
461.01358

>  <Item Name> (2,081)
Lincomycin Hydrochloride Monohydrate

>  <Catalog Number> (2,081)
S5295

>  <Synonyms> (2,081)
N/A

>  <Target> (2,081)
Anti-infection

>  <Form> (2,081)
hydrochloride, hydrate

>  <URL> (2,081)
http://selleckchem.com/products/lincomycin-hydrochloride-monohydrate.html

>  <CAS Number> (2,081)
7179-49-9

$$$$
S5447 Triprolidine hydrochloride monohydrate.cdx
csChFnd80/10101811552D

 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
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    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> (2,082)
4171

>  <Formula> (2,082)
C19H25ClN2O

>  <MolWeight> (2,082)
332.8676

>  <Item Name> (2,082)
Triprolidine Hydrochloride

>  <Catalog Number> (2,082)
S5447

>  <Synonyms> (2,082)
N/A

>  <Target> (2,082)
Histamine Receptor

>  <Form> (2,082)
hydrochloride, hydrate

>  <URL> (2,082)
http://selleckchem.com/products/triprolidine-hydrochloride.html

>  <CAS Number> (2,082)
6138-79-0

$$$$
S5479 Cloperastine hydrochloride.cdx
csChFnd80/10101811552D

 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> (2,083)
4173

>  <Formula> (2,083)
C20H25Cl2NO

>  <MolWeight> (2,083)
366.3246

>  <Item Name> (2,083)
Cloperastine hydrochloride

>  <Catalog Number> (2,083)
S5479

>  <Synonyms> (2,083)
HT-11 hydrochloride

>  <Target> (2,083)
Histamine Receptor

>  <Form> (2,083)
hydrochloride 

>  <URL> (2,083)
http://selleckchem.com/products/cloperastine-hydrochloride.html

>  <CAS Number> (2,083)
14984-68-0

$$$$
S5481 Molindone hydrochloride.cdx
csChFnd80/10101811552D

 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
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    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> (2,084)
4174

>  <Formula> (2,084)
C16H25ClN2O2

>  <MolWeight> (2,084)
312.8349

>  <Item Name> (2,084)
Molindone hydrochloride

>  <Catalog Number> (2,084)
S5481

>  <Synonyms> (2,084)
N/A

>  <Target> (2,084)
Dopamine Receptor

>  <Form> (2,084)
hydrochloride 

>  <URL> (2,084)
http://selleckchem.com/products/molindone-hydrochloride.html

>  <CAS Number> (2,084)
 15622-65-8

$$$$
S5492 Econazole.cdx
csChFnd80/10101811552D

 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
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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
  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> (2,085)
4175

>  <Formula> (2,085)
C18H15Cl3N2O

>  <MolWeight> (2,085)
381.6835

>  <Item Name> (2,085)
Econazole

>  <Catalog Number> (2,085)
S5492

>  <Synonyms> (2,085)
N/A

>  <Target> (2,085)
Anti-infection

>  <Form> (2,085)
free base

>  <URL> (2,085)
http://selleckchem.com/products/econazole.html

>  <CAS Number> (2,085)
27220-47-9

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/10101811552D

 68 74  0  0  0  0  0  0  0  0999 V2000
    6.9238    8.9622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0285    9.6191    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6762    9.6479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9525    7.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0475   11.0288    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3238    9.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0285    8.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5239    8.9905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.6287    2.0956    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3620    4.0763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0953   15.7428    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2954   12.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573    6.8955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2001    3.4192    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4478   15.7428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4572   16.9907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6475   12.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2001    1.9812    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4764    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0192    4.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1905   16.9907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1525   18.1717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0000   16.9907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6477   11.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2191    3.4667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   13.6000   16.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9905   12.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2856   10.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (2,086)
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>  <MolWeight> (2,086)
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>  <Item Name> (2,086)
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>  <Catalog Number> (2,086)
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>  <Synonyms> (2,086)
Sanchinoside R1

>  <Target> (2,086)
Others

>  <Form> (2,086)
free base

>  <URL> (2,086)
http://selleckchem.com/products/notoginsenoside-r1.html

>  <CAS Number> (2,086)
80418-24-2

$$$$
S3805 Stevioside.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,087)
4197

>  <Formula> (2,087)
C38H60O18

>  <MolWeight> (2,087)
804.8722

>  <Item Name> (2,087)
Stevioside

>  <Catalog Number> (2,087)
S3805

>  <Synonyms> (2,087)
N/A

>  <Target> (2,087)
Others

>  <Form> (2,087)
free base

>  <URL> (2,087)
http://selleckchem.com/products/stevioside.html

>  <CAS Number> (2,087)
57817-89-7

$$$$
S3971 Fusidine.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,088)
4202

>  <Formula> (2,088)
C31H48O6

>  <MolWeight> (2,088)
516.70922

>  <Item Name> (2,088)
Fusidine

>  <Catalog Number> (2,088)
S3971

>  <Synonyms> (2,088)
Fusidic Acid

>  <Target> (2,088)
Anti-infection

>  <Form> (2,088)
free base

>  <URL> (2,088)
http://selleckchem.com/products/fusidine.html

>  <CAS Number> (2,088)
6990-06-3

$$$$
S3972 Lobeline  hydrochloride.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,089)
4203

>  <Formula> (2,089)
C22H28ClNO2

>  <MolWeight> (2,089)
373.91622

>  <Item Name> (2,089)
Lobeline hydrochloride

>  <Catalog Number> (2,089)
S3972

>  <Synonyms> (2,089)
N/A

>  <Target> (2,089)
AChR,Opioid Receptor

>  <Form> (2,089)
hydrochloride 

>  <URL> (2,089)
http://selleckchem.com/products/lobeline-hydrochloride.html

>  <CAS Number> (2,089)
134-63-4

$$$$
S4833 Cefoxitin sodium.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,090)
4205

>  <Formula> (2,090)
C16H16N3NaO7S2

>  <MolWeight> (2,090)
449.43391

>  <Item Name> (2,090)
Cefoxitin sodium

>  <Catalog Number> (2,090)
S4833

>  <Synonyms> (2,090)
N/A

>  <Target> (2,090)
Anti-infection

>  <Form> (2,090)
sodium salt

>  <URL> (2,090)
http://selleckchem.com/products/cefoxitin-sodium.html

>  <CAS Number> (2,090)
33564-30-6

$$$$
S5072 Rosuvastatin.cdx
csChFnd80/10101811552D

 33 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,091)
4218

>  <Formula> (2,091)
C22H28FN3O6S

>  <MolWeight> (2,091)
481.5376232

>  <Item Name> (2,091)
Rosuvastatin

>  <Catalog Number> (2,091)
S5072

>  <Synonyms> (2,091)
N/A

>  <Target> (2,091)
HMG-CoA Reductase

>  <URL> (2,091)
http://selleckchem.com/products/rosuvastatin.html

>  <CAS Number> (2,091)
287714-41-4

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,092)
4221

>  <Formula> (2,092)
C3H8NO6P

>  <MolWeight> (2,092)
185.072481

>  <Item Name> (2,092)
O-Phospho-L-serine

>  <Catalog Number> (2,092)
S5137

>  <Synonyms> (2,092)
Dexfosfoserine

>  <Target> (2,092)
GluR

>  <Form> (2,092)
free base

>  <URL> (2,092)
http://selleckchem.com/products/o-phospho-l-serine.html

>  <CAS Number> (2,092)
407-41-0

$$$$
S5325 Nitisinone.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,093)
4225

>  <Formula> (2,093)
C14H10F3NO5

>  <MolWeight> (2,093)
329.2281096

>  <Item Name> (2,093)
Nitisinone

>  <Catalog Number> (2,093)
S5325

>  <Synonyms> (2,093)
N/A

>  <Target> (2,093)
Others

>  <Form> (2,093)
free base

>  <URL> (2,093)
http://selleckchem.com/products/nitisinone.html

>  <CAS Number> (2,093)
104206-65-7

$$$$
S5327 Meisoindigo.cdx
csChFnd80/10101811552D

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C17H12N2O2

>  <MolWeight> (2,094)
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>  <Item Name> (2,094)
Meisoindigo

>  <Catalog Number> (2,094)
S5327

>  <Synonyms> (2,094)
N-Methylisoindigotin, Methylisoindigotin, Dian III

>  <Target> (2,094)
Others

>  <Form> (2,094)
free base

>  <URL> (2,094)
http://selleckchem.com/products/meisoindigo.html

>  <CAS Number> (2,094)
97207-47-1

$$$$
S5341 Metroprolol succinate.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,095)
4228

>  <Formula> (2,095)
C34H56N2O10

>  <MolWeight> (2,095)
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>  <Item Name> (2,095)
Metroprolol succinate

>  <Catalog Number> (2,095)
S5341

>  <Synonyms> (2,095)
Metoprolol succinate

>  <Target> (2,095)
Adrenergic Receptor

>  <Form> (2,095)
succinate

>  <URL> (2,095)
http://selleckchem.com/products/metroprolol-succinate.html

>  <CAS Number> (2,095)
98418-47-4

$$$$
S5319 AWD 131-138.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,096)
4243

>  <Formula> (2,096)
C13H14ClN3O2

>  <MolWeight> (2,096)
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>  <Item Name> (2,096)
AWD 131-138

>  <Catalog Number> (2,096)
S5319

>  <Synonyms> (2,096)
Imepitoin, ELB-138

>  <Target> (2,096)
Others

>  <Form> (2,096)
free base

>  <URL> (2,096)
http://selleckchem.com/products/awd-131-138.html

>  <CAS Number> (2,096)
188116-07-6

$$$$
S5362 Citicholine.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,097)
4247

>  <Formula> (2,097)
C14H26N4O11P2

>  <MolWeight> (2,097)
488.323962

>  <Item Name> (2,097)
Citicholine

>  <Catalog Number> (2,097)
S5362

>  <Synonyms> (2,097)
CDP-choline, cytidine 5'-diphosphocholine

>  <Target> (2,097)
Others

>  <Form> (2,097)
inner salt

>  <URL> (2,097)
http://selleckchem.com/products/citicholine.html

>  <CAS Number> (2,097)
987-78-0

$$$$
S5364 DY131.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,098)
4249

>  <Formula> (2,098)
C18H21N3O2

>  <MolWeight> (2,098)
311.37824

>  <Item Name> (2,098)
DY131

>  <Catalog Number> (2,098)
S5364

>  <Synonyms> (2,098)
N/A

>  <Target> (2,098)
Estrogen/progestogen Receptor

>  <Form> (2,098)
free base

>  <URL> (2,098)
http://selleckchem.com/products/dy131.html

>  <CAS Number> (2,098)
95167-41-2

$$$$
S5366 Fipronil.cdx
csChFnd80/10101811552D

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 10 16  2  0  0  0  0
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 20 24  1  0  0  0  0
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M  END
>  <Mol_ID> (2,099)
4250

>  <Formula> (2,099)
C12H4Cl2F6N4OS

>  <MolWeight> (2,099)
437.1477792

>  <Item Name> (2,099)
Fipronil

>  <Catalog Number> (2,099)
S5366

>  <Synonyms> (2,099)
Fluocyanobenpyrazole, Termidor

>  <Target> (2,099)
Anti-infection

>  <Form> (2,099)
free base

>  <URL> (2,099)
http://selleckchem.com/products/fipronil.html

>  <CAS Number> (2,099)
120068-37-3

$$$$
Tegaserod maleate.cdx
csChFnd80/10101811552D

 30 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,100)
4265

>  <Formula> (2,100)
C20H27N5O5

>  <MolWeight> (2,100)
417.45888

>  <Item Name> (2,100)
Tegaserod Maleate

>  <Catalog Number> (2,100)
S5401

>  <Synonyms> (2,100)
N/A

>  <Target> (2,100)
5-HT Receptor

>  <Form> (2,100)
maleate

>  <URL> (2,100)
http://selleckchem.com/products/tegaserod-maleate.html

>  <CAS Number> (2,100)
189188-57-6

$$$$
S5422 Trimethyloctadecylammonium bromide.cdx
csChFnd80/10101811552D

 23 21  0  0  0  0  0  0  0  0999 V2000
   18.2225    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,101)
4271

>  <Formula> (2,101)
C21H46BrN

>  <MolWeight> (2,101)
392.50064

>  <Item Name> (2,101)
Trimethyloctadecylammonium bromide

>  <Catalog Number> (2,101)
S5422

>  <Synonyms> (2,101)
Octadecyltrimethylammonium bromide

>  <Target> (2,101)
Dynamin

>  <Form> (2,101)
bromide 

>  <URL> (2,101)
http://selleckchem.com/products/trimethyloctadecylammonium-bromide.html

>  <CAS Number> (2,101)
1120-02-1

$$$$
S5423 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride.cdx
csChFnd80/10101811552D

 15 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,102)
4272

>  <Formula> (2,102)
C8H6Cl2F3NO

>  <MolWeight> (2,102)
260.0405496

>  <Item Name> (2,102)
4-Chloro-2-(trifluoroacetyl)aniline hydrochl

>  <Catalog Number> (2,102)
S5423

>  <Synonyms> (2,102)
N/A

>  <Target> (2,102)
Reverse Transcriptase

>  <Form> (2,102)
hydrochloride 

>  <URL> (2,102)
http://selleckchem.com/products/4-chloro-2-trifluoroacetyl-aniline-hydrochloride.html

>  <CAS Number> (2,102)
173676-59-0

$$$$
S5424 Carbaryl.cdx
csChFnd80/10101811552D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,103)
4273

>  <Formula> (2,103)
C12H11NO2

>  <MolWeight> (2,103)
201.22124

>  <Item Name> (2,103)
Carbaryl

>  <Catalog Number> (2,103)
S5424

>  <Synonyms> (2,103)
1-naphthyl methylcarbamate

>  <Target> (2,103)
Others

>  <Form> (2,103)
free base

>  <URL> (2,103)
http://selleckchem.com/products/carbaryl.html

>  <CAS Number> (2,103)
63-25-2

$$$$
S5425 Phenylglyoxal hydrate.cdx
csChFnd80/10101811552D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4254    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8503    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005    2.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0630    1.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,104)
4274

>  <Formula> (2,104)
C8H8O3

>  <MolWeight> (2,104)
152.14732

>  <Item Name> (2,104)
Phenylglyoxal hydrate

>  <Catalog Number> (2,104)
S5425

>  <Synonyms> (2,104)
1-Phenylethanedione hydrate

>  <Target> (2,104)
Dehydrogenase

>  <Form> (2,104)
free base

>  <URL> (2,104)
http://selleckchem.com/products/phenylglyoxal-hydrate.html

>  <CAS Number> (2,104)
1075-06-5

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/10101811552D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,105)
4275

>  <Formula> (2,105)
C3H3BrO3

>  <MolWeight> (2,105)
166.95812

>  <Item Name> (2,105)
Bromopyruvic acid

>  <Catalog Number> (2,105)
S5426

>  <Synonyms> (2,105)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (2,105)
Others

>  <Form> (2,105)
free base

>  <URL> (2,105)
http://selleckchem.com/products/bromopyruvic-acid.html

>  <CAS Number> (2,105)
1113-59-3

$$$$
S5434 3-Methylpyrazole-5-carboxylic acid.cdx
csChFnd80/10101811552D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4434    2.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    3.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7134    1.4420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309    1.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0300    3.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6865    2.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2309    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6446    4.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (2,106)
4283

>  <Formula> (2,106)
C5H6N2O2

>  <MolWeight> (2,106)
126.11334

>  <Item Name> (2,106)
AS057278

>  <Catalog Number> (2,106)
S5434

>  <Synonyms> (2,106)
3-Methylpyrazole-5-carboxylic acid
3-Methylpyrazole-5-carboxylic acid

>  <Target> (2,106)
Others

>  <Form> (2,106)
free base

>  <URL> (2,106)
http://selleckchem.com/products/as057278.html

>  <CAS Number> (2,106)
402-61-9

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/10101811552D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6292    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590    0.2576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8093    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,107)
4287

>  <Formula> (2,107)
C8H6BrN

>  <MolWeight> (2,107)
196.04394

>  <Item Name> (2,107)
5-Bromoindole

>  <Catalog Number> (2,107)
S5439

>  <Synonyms> (2,107)
N/A

>  <Target> (2,107)
GSK-3

>  <Form> (2,107)
free base

>  <URL> (2,107)
http://selleckchem.com/products/5-bromoindole.html

>  <CAS Number> (2,107)
10075-50-0

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/10101811552D

 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> (2,108)
4295

>  <Formula> (2,108)
C20H14ClNO4

>  <MolWeight> (2,108)
367.78246

>  <Item Name> (2,108)
Sanguinarine chloride

>  <Catalog Number> (2,108)
S5452

>  <Synonyms> (2,108)
N/A

>  <Target> (2,108)
phosphatase

>  <Form> (2,108)
chloride 

>  <URL> (2,108)
http://selleckchem.com/products/sanguinarine-chloride.html

>  <CAS Number> (2,108)
5578-73-4

$$$$
S5458 Verbascoside.cdx
csChFnd80/10101811552D

 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
   10.9122    8.4089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    7.7088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
   12.1259    6.3082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4868    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6985    3.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.2081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2685    3.5047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2685    2.0984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4837    1.3968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6956    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9036    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    9.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   10.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127    4.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3387    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5510    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7635    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9759    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    6.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1886    8.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9782    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6138    8.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6133    5.6060    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
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
  3  6  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
 14 19  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
 26 27  1  1  0  0  0
 25 28  1  6  0  0  0
 24 29  1  1  0  0  0
 23 30  1  1  0  0  0
 22 20  1  6  0  0  0
 17 20  1  1  0  0  0
 31 32  1  0  0  0  0
 15 31  1  1  0  0  0
 18 33  1  6  0  0  0
 35 36  1  0  0  0  0
 34 35  1  0  0  0  0
 37 38  1  0  0  0  0
 38 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
 37 42  2  0  0  0  0
 40 43  1  0  0  0  0
 39 44  1  0  0  0  0
 36 37  1  0  0  0  0
 19 34  1  1  0  0  0
 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (2,109)
4301

>  <Formula> (2,109)
C29H36O15

>  <MolWeight> (2,109)
624.58714

>  <Item Name> (2,109)
Verbascoside

>  <Catalog Number> (2,109)
S5458

>  <Synonyms> (2,109)
Acteoside, Kusaginin

>  <Target> (2,109)
Immunology & Inflammation related

>  <Form> (2,109)
free base

>  <URL> (2,109)
http://selleckchem.com/products/verbascoside.html

>  <CAS Number> (2,109)
61276-17-3

$$$$
S5472 Nafronyl oxalate salt.cdx
csChFnd80/10101811552D

 34 35  0  0  0  0  0  0  0  0999 V2000
    4.8154    2.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8154    0.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5686    2.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3087    2.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5686    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1555    3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9431    2.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3680    2.7067    0.0000 O   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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  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  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 23  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 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  2  0  0  0  0
M  END
>  <Mol_ID> (2,110)
4313

>  <Formula> (2,110)
C26H35NO7

>  <MolWeight> (2,110)
473.5586

>  <Item Name> (2,110)
Nafronyl oxalate salt

>  <Catalog Number> (2,110)
S5472

>  <Synonyms> (2,110)
N/A

>  <Target> (2,110)
5-HT Receptor

>  <Form> (2,110)
oxalate 

>  <URL> (2,110)
http://selleckchem.com/products/nafronyl-oxalate-salt.html

>  <CAS Number> (2,110)
3200-06-4

$$$$
S5485 Desipramine Hydrochloride.cdx
csChFnd80/10101811552D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.9214    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1297    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6509    8.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9090    7.9357    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  7  2  0  0  0  0
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  4  9  1  0  0  0  0
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  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
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 10 13  1  0  0  0  0
 11 17  2  0  0  0  0
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 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,111)
4316

>  <Formula> (2,111)
C18H23ClN2

>  <MolWeight> (2,111)
302.84162

>  <Item Name> (2,111)
Desipramine Hydrochloride

>  <Catalog Number> (2,111)
S5485

>  <Synonyms> (2,111)
Desmethylimipramine, Norimipramine, EX-4355, G-35020, JB-8181, NSC-114901

>  <Target> (2,111)
5-HT Receptor

>  <Form> (2,111)
hydrochloride 

>  <URL> (2,111)
http://selleckchem.com/products/desipramine-hydrochloride.html

>  <CAS Number> (2,111)
 58-28-6

$$$$
S5486 Fluorometholone.cdx
csChFnd80/10101811552D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6512    3.5034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8681    4.2068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2951    5.6068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0782    3.5034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6108    6.0499    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2951    4.2068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8681    5.6068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4270    4.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782    6.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8681    1.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  9  1  1  0  0  0  0
  1 23  1  1  0  0  0
  5  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 19  1  6  0  0  0
  3 10  1  0  0  0  0
  6  3  1  0  0  0  0
  3 24  1  1  0  0  0
  7  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  1  0  0  0  0
  7  5  1  0  0  0  0
  5 29  1  1  0  0  0
  5 11  1  0  0  0  0
  6 17  1  0  0  0  0
  6 22  1  6  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
  7 28  1  6  0  0  0
 10  8  1  0  0  0  0
  8 25  1  1  0  0  0
 16  9  2  0  0  0  0
 11 13  1  0  0  0  0
 18 12  1  0  0  0  0
 13 26  1  6  0  0  0
 14 15  1  0  0  0  0
 18 16  1  0  0  0  0
 20 17  2  0  0  0  0
 27 17  1  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,112)
4317

>  <Formula> (2,112)
C22H29FO4

>  <MolWeight> (2,112)
376.4616632

>  <Item Name> (2,112)
Fluorometholone

>  <Catalog Number> (2,112)
S5486

>  <Synonyms> (2,112)
Oxylone

>  <Target> (2,112)
Glucocorticoid Receptor

>  <Form> (2,112)
free base

>  <URL> (2,112)
http://selleckchem.com/products/fluorometholone.html

>  <CAS Number> (2,112)
426-13-1

$$$$
S5496 Guanethidine Monosulfate.cdx
csChFnd80/10101811552D

 19 18  0  0  0  0  0  0  0  0999 V2000
   13.1603    2.0488    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5603    2.0488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7603    2.0488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1603    3.4488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1603    0.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0563    2.6953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1801    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8728    1.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6316    2.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5681    3.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7077    0.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.4246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4030    2.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0957    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    2.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2195    0.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1955    1.3344    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
  1  5  2  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
  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
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  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> (2,113)
4318

>  <Formula> (2,113)
C10H24N4O4S

>  <MolWeight> (2,113)
296.38696

>  <Item Name> (2,113)
Guanethidine Monosulfate

>  <Catalog Number> (2,113)
S5496

>  <Synonyms> (2,113)
N/A

>  <Target> (2,113)
Others

>  <Form> (2,113)
sulfate 

>  <URL> (2,113)
http://selleckchem.com/products/guanethidine-monosulfate.html

>  <CAS Number> (2,113)
645-43-2

$$$$
S5524 Spermine, Tetrahydrochloride.cdx
csChFnd80/10101811552D

 18 13  0  0  0  0  0  0  0  0999 V2000
    7.2854    0.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4816    0.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0829    0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6904    0.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8550    0.7382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8994    0.0893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6460    0.0192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1083    0.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3237    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5262    0.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6937    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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
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  8 10  1  0  0  0  0
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M  END
>  <Mol_ID> (2,114)
4331

>  <Formula> (2,114)
C10H30Cl4N4

>  <MolWeight> (2,114)
348.184

>  <Item Name> (2,114)
Spermine Tetrahydrochloride

>  <Catalog Number> (2,114)
S5524

>  <Synonyms> (2,114)
Gerontine tetrahydrochloride, Neuridine tetrahydrochloride, Musculamine tetrahydrochloride

>  <Target> (2,114)
Others

>  <Form> (2,114)
tetrahydrochloride 

>  <URL> (2,114)
http://selleckchem.com/products/spermine-tetrahydrochloride.html

>  <CAS Number> (2,114)
306-67-2

$$$$
S5529 Galangin.cdx
csChFnd80/10101811552D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6432    4.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    2.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    4.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    2.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    2.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    6.2592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    6.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533    2.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2590    4.8593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6858    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7180    0.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,115)
4335

>  <Formula> (2,115)
C15H10O5

>  <MolWeight> (2,115)
270.2369

>  <Item Name> (2,115)
Galangin

>  <Catalog Number> (2,115)
S5529

>  <Synonyms> (2,115)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (2,115)
P450 (e.g. CYP17)

>  <Form> (2,115)
free base

>  <URL> (2,115)
http://selleckchem.com/products/galangin.html

>  <CAS Number> (2,115)
548-83-4

$$$$
S5541 Dimetridazole.cdx
csChFnd80/10101811552D

 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
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  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> (2,116)
4339

>  <Formula> (2,116)
C5H7N3O2

>  <MolWeight> (2,116)
141.12798

>  <Item Name> (2,116)
Dimetridazole

>  <Catalog Number> (2,116)
S5541

>  <Synonyms> (2,116)
N/A

>  <Target> (2,116)
Anti-infection

>  <Form> (2,116)
free base

>  <URL> (2,116)
http://selleckchem.com/products/dimetridazole.html

>  <CAS Number> (2,116)
551-92-8

$$$$
S5557 Aklomide.cdx
csChFnd80/10101811552D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2262    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4366    2.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0118    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2301    0.7034    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4327    4.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0079    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0196    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445    0.0068    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2183    4.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    4.9102    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    6.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
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  5  9  2  0  0  0  0
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  6  9  1  0  0  0  0
  9 11  1  0  0  0  0
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 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,117)
4351

>  <Formula> (2,117)
C7H5ClN2O3

>  <MolWeight> (2,117)
200.5792

>  <Item Name> (2,117)
Aklomide

>  <Catalog Number> (2,117)
S5557

>  <Synonyms> (2,117)
2-Chloro-4-nitrobenzamide

>  <Target> (2,117)
Anti-infection

>  <Form> (2,117)
free base

>  <URL> (2,117)
http://selleckchem.com/products/aklomide.html

>  <CAS Number> (2,117)
3011-89-0

$$$$
S5567 Trimethadione.cdx
csChFnd80/10101811552D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1742    2.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819    3.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1110    3.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7442    0.3264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6  8  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,118)
4355

>  <Formula> (2,118)
C6H9NO3

>  <MolWeight> (2,118)
143.14056

>  <Item Name> (2,118)
Trimethadione

>  <Catalog Number> (2,118)
S5567

>  <Synonyms> (2,118)
N/A

>  <Target> (2,118)
Others

>  <URL> (2,118)
http://selleckchem.com/products/trimethadione.html

>  <CAS Number> (2,118)
127-48-0

$$$$
GW 5074.cdx
csChFnd80/10101811552D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    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
    1.2082    2.1000    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
    5.7875    1.4000    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
    7.1826    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 I   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
    6.7604    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1930    5.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5624    5.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4992    4.7317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0665    3.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6971    3.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8638    5.0218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0001    2.3634    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.9935    7.0990    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  8 10  2  0  0  0  0
  6 11  1  0  0  0  0
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 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,119)
4396

>  <Formula> (2,119)
C15H8Br2INO2

>  <MolWeight> (2,119)
520.94199

>  <Item Name> (2,119)
GW5074

>  <Catalog Number> (2,119)
S2872

>  <Synonyms> (2,119)
N/A

>  <Target> (2,119)
Raf

>  <Form> (2,119)
free base

>  <URL> (2,119)
http://selleckchem.com/products/gw5074.html

>  <CAS Number> (2,119)
220904-83-6

$$$$
Isotretinoin.cdx
csChFnd80/10101811552D

 22 22  0  0  0  0  0  0  0  0999 V2000
   12.1461    0.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1457    2.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9294    2.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7080    2.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9376    0.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833    2.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2845    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0578    2.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8312    2.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    2.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    2.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3624    0.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9291    4.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    4.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4066    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2035    0.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    0.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
  5  1  2  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
  3 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 11  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,120)
4397

>  <Formula> (2,120)
C20H28O2

>  <MolWeight> (2,120)
300.43512

>  <Item Name> (2,120)
Isotretinoin 

>  <Catalog Number> (2,120)
S1379 

>  <Synonyms> (2,120)
13-cis retinoic acid

>  <Target> (2,120)
hydroxylase

>  <Form> (2,120)
free base

>  <URL> (2,120)
http://www.selleckchem.com/products/Isotretinoin.html

>  <CAS Number> (2,120)
4759-48-2

$$$$
>  <Mol_ID> (2,121)
4400

>  <Item Name> (2,121)
Tetrahydrocurcumin

>  <Catalog Number> (2,121)
S3917

>  <Synonyms> (2,121)
Tetrahydrodiferuloylmethane

>  <Target> (2,121)
others

>  <URL> (2,121)
http://selleckchem.com/products/.html

>  <CAS Number> (2,121)
36062-04-1

$$$$
S3935 Nonivamide.cdx
csChFnd80/10101811552D

 21 21  0  0  0  0  0  0  0  0999 V2000
   13.3363    2.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5432    1.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3363    3.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1100    1.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7777    2.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5477    4.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9200    2.1129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7777    3.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9846    1.4529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6965    1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9861    4.2377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1943    2.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4895    2.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6965    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2742    1.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0631    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    1.4005    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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  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
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 10 13  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
M  END
>  <Mol_ID> (2,122)
4402

>  <Formula> (2,122)
C17H27NO3

>  <MolWeight> (2,122)
293.40118

>  <Item Name> (2,122)
Nonivamide

>  <Catalog Number> (2,122)
S3935

>  <Synonyms> (2,122)
?Pseudocapsaicin; Pelargonic acid vanillylamide; Nonanoic acid vanillylamide

>  <Target> (2,122)
TRP Channel

>  <Form> (2,122)
free base

>  <URL> (2,122)
http://selleckchem.com/products/.html

>  <CAS Number> (2,122)
2444-46-4

$$$$
S4998 2-Aminobenzenesulfonamide.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,123)
4408

>  <Formula> (2,123)
C6H8N2O2S

>  <MolWeight> (2,123)
172.20492

>  <Item Name> (2,123)
2-Aminobenzenesulfonamide

>  <Catalog Number> (2,123)
S4998

>  <Synonyms> (2,123)
Orthanilamide

>  <Target> (2,123)
DHPS

>  <URL> (2,123)
http://selleckchem.com/products/.html

>  <CAS Number> (2,123)
3306-62-5

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,124)
4411

>  <Formula> (2,124)
C28H23ClF3N7O

>  <MolWeight> (2,124)
565.9767296

>  <Item Name> (2,124)
Nilotinib hydrochloride

>  <Catalog Number> (2,124)
S5205

>  <Synonyms> (2,124)
AMN-107 HCl

>  <Target> (2,124)
Bcr-Abl

>  <Form> (2,124)
hydrochloride 

>  <URL> (2,124)
http://selleckchem.com/products/nilotinib-hydrochloride.html

>  <CAS Number> (2,124)
923288-95-3

$$$$
S5239 Paroxetine mesylate.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,125)
4412

>  <Formula> (2,125)
C20H24FNO6S

>  <MolWeight> (2,125)
425.4710632

>  <Item Name> (2,125)
Paroxetine mesylate

>  <Catalog Number> (2,125)
S5239

>  <Synonyms> (2,125)
N/A

>  <Target> (2,125)
5-HT Receptor

>  <Form> (2,125)
Mesylate

>  <URL> (2,125)
http://selleckchem.com/products/paroxetine-mesylate.html

>  <CAS Number> (2,125)
217797-14-3

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,126)
4413

>  <Formula> (2,126)
C22H23ClN4O7S

>  <MolWeight> (2,126)
522.95862

>  <Item Name> (2,126)
lenvatinib Mesylate

>  <Catalog Number> (2,126)
S5240

>  <Synonyms> (2,126)
N/A

>  <Target> (2,126)
VEGFR

>  <Form> (2,126)
Mesylate

>  <URL> (2,126)
http://selleckchem.com/products/lenvatinib-mesylate.html

>  <CAS Number> (2,126)
 857890-39-2

$$$$
S5265 TBB.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,127)
4417

>  <Formula> (2,127)
C6HBr4N3

>  <MolWeight> (2,127)
434.70824

>  <Item Name> (2,127)
TBB

>  <Catalog Number> (2,127)
S5265

>  <Synonyms> (2,127)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (2,127)
Casein Kinase

>  <URL> (2,127)
http://selleckchem.com/products/tbb.html

>  <CAS Number> (2,127)
17374-26-4

$$$$
S5267 Nylidrin Hydrochloride.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,128)
4418

>  <Formula> (2,128)
C19H26ClNO2

>  <MolWeight> (2,128)
335.86824

>  <Item Name> (2,128)
Nylidrin Hydrochloride

>  <Catalog Number> (2,128)
S5267

>  <Synonyms> (2,128)
Buphenine hydrochloride

>  <Target> (2,128)
¦Â-adrenergic receptor

>  <Form> (2,128)
hydrochloride 

>  <URL> (2,128)
http://selleckchem.com/products/.html

>  <CAS Number> (2,128)
849-55-8

$$$$
S5352 Cefminox Sodium.cdx
csChFnd80/10101811552D

 35 36  0  0  0  0  0  0  0  0999 V2000
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    7.4072   10.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,129)
4422

>  <Formula> (2,129)
C16H20N7NaO7S3

>  <MolWeight> (2,129)
541.55747

>  <Item Name> (2,129)
Cefminox Sodium

>  <Catalog Number> (2,129)
S5352

>  <Synonyms> (2,129)
Meicelin, MT-141

>  <Target> (2,129)
Anti-infection

>  <Form> (2,129)
sodium salt

>  <URL> (2,129)
http://selleckchem.com/products/cefminox-sodium.html

>  <CAS Number> (2,129)
75498-96-3 

$$$$
S5356 Ceftiofur.cdx
csChFnd80/10101811552D

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   10.0702    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,130)
4424

>  <Formula> (2,130)
C19H17N5O7S3

>  <MolWeight> (2,130)
523.56258

>  <Item Name> (2,130)
Ceftiofur

>  <Catalog Number> (2,130)
S5356

>  <Synonyms> (2,130)
N/A

>  <Target> (2,130)
Anti-infection

>  <Form> (2,130)
free base

>  <URL> (2,130)
http://selleckchem.com/products/ceftiofur.html

>  <CAS Number> (2,130)
80370-57-6 

$$$$
S5357 Safinamide.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,131)
4425

>  <Formula> (2,131)
C17H19FN2O2

>  <MolWeight> (2,131)
302.3433632

>  <Item Name> (2,131)
Safinamide

>  <Catalog Number> (2,131)
S5357

>  <Synonyms> (2,131)
EMD-1195686, PNU-15774E

>  <Target> (2,131)
MAO

>  <Form> (2,131)
free base

>  <URL> (2,131)
http://selleckchem.com/products/safinamide.html

>  <CAS Number> (2,131)
133865-89-1

$$$$
S5358 Regadenoson.cdx
csChFnd80/10101811552D

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.0566    4.9287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,132)
4426

>  <Formula> (2,132)
C15H18N8O5

>  <MolWeight> (2,132)
390.35402

>  <Item Name> (2,132)
Regadenoson

>  <Catalog Number> (2,132)
S5358

>  <Synonyms> (2,132)
CVT-3146, Lexiscan

>  <Target> (2,132)
Adenosine Receptor

>  <Form> (2,132)
free base

>  <URL> (2,132)
http://selleckchem.com/products/regadenoson.html

>  <CAS Number> (2,132)
313348-27-5  

$$$$
S5360 Diflorasone.cdx
csChFnd80/10101811552D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  3  9  1  0  0  0  0
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M  END
>  <Mol_ID> (2,133)
4427

>  <Formula> (2,133)
C22H28F2O5

>  <MolWeight> (2,133)
410.4515264

>  <Item Name> (2,133)
Diflorasone

>  <Catalog Number> (2,133)
S5360

>  <Synonyms> (2,133)
N/A

>  <Target> (2,133)
Glucocorticoid receptor

>  <Form> (2,133)
free base

>  <URL> (2,133)
http://selleckchem.com/products/.html

>  <CAS Number> (2,133)
2557-49-5

$$$$
S5361 Bendazac.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,134)
4428

>  <Formula> (2,134)
C16H14N2O3

>  <MolWeight> (2,134)
282.29396

>  <Item Name> (2,134)
Bendazac

>  <Catalog Number> (2,134)
S5361

>  <Synonyms> (2,134)
bendazolic acid, AF-983

>  <Target> (2,134)
Immunology & Inflammation related

>  <Form> (2,134)
free base

>  <URL> (2,134)
http://selleckchem.com/products/bendazac.html

>  <CAS Number> (2,134)
20187-55-7

$$$$
S5369 Ethoxyquin.cdx
csChFnd80/10101811552D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,135)
4429

>  <Formula> (2,135)
C14H19NO

>  <MolWeight> (2,135)
217.30676

>  <Item Name> (2,135)
Ethoxyquin

>  <Catalog Number> (2,135)
S5369

>  <Form> (2,135)
free base

>  <CAS Number> (2,135)
91-53-2

$$$$
S5373 Pseudolaric Acid B.cdx
csChFnd80/10101811552D

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M  END
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4430

>  <Formula> (2,136)
C23H28O8

>  <MolWeight> (2,136)
432.46362

>  <Item Name> (2,136)
Pseudolaric Acid B

>  <Catalog Number> (2,136)
S5373

>  <Synonyms> (2,136)
N/A

>  <Target> (2,136)
p38

>  <Form> (2,136)
S5369

>  <URL> (2,136)
http://selleckchem.com/products/.html

>  <CAS Number> (2,136)
82508-31-4 

$$$$
S5411 Sultamicillin.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,137)
4435

>  <Formula> (2,137)
C25H30N4O9S2

>  <MolWeight> (2,137)
594.6571

>  <Item Name> (2,137)
Sultamicillin

>  <Catalog Number> (2,137)
S5411

>  <Form> (2,137)
free base

>  <CAS Number> (2,137)
76497-13-7

$$$$
>  <Mol_ID> (2,138)
4442

>  <Item Name> (2,138)
Enoxaparin sodium

>  <Catalog Number> (2,138)
S5415

>  <Form> (2,138)
free base

>  <CAS Number> (2,138)
679809-58-6

$$$$
S5482 Prilocaine hydrochloride.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,139)
4444

>  <Formula> (2,139)
C13H21ClN2O

>  <MolWeight> (2,139)
256.77164

>  <Item Name> (2,139)
Prilocaine hydrochloride

>  <Catalog Number> (2,139)
S5482

>  <Synonyms> (2,139)
N/A

>  <Target> (2,139)
Sodium channel

>  <Form> (2,139)
hydrochloride 

>  <URL> (2,139)
http://selleckchem.com/products/.html

>  <CAS Number> (2,139)
1786-81-8

$$$$
S5394 Tizoxanide.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,140)
4446

>  <Formula> (2,140)
C10H7N3O4S

>  <MolWeight> (2,140)
265.24528

>  <Item Name> (2,140)
 Tizoxanide

>  <Catalog Number> (2,140)
S5394

>  <Target> (2,140)
HCV Protease

>  <Form> (2,140)
free base

>  <URL> (2,140)
http://selleckchem.com/products/tizoxanide.html

>  <CAS Number> (2,140)
173903-47-4

$$$$
S5647 Emedastine Difumarate.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,141)
4447

>  <Formula> (2,141)
C25H34N4O9

>  <MolWeight> (2,141)
534.55886

>  <Item Name> (2,141)
Emedastine Difumarate

>  <Catalog Number> (2,141)
S5647

>  <Synonyms> (2,141)
Rapimine, Emedastine fumarate

>  <Target> (2,141)
Histamine Receptor

>  <URL> (2,141)
http://selleckchem.com/products/emedastine-difumarate.html

>  <CAS Number> (2,141)
87233-62-3

$$$$
S5648 Iguratimod.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,142)
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C17H14N2O6S

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 Iguratimod

>  <Catalog Number> (2,142)
S5648

>  <Synonyms> (2,142)
T-614

>  <Target> (2,142)
Immunology & Inflammation related

>  <Form> (2,142)
free base

>  <URL> (2,142)
http://selleckchem.com/products/iguratimod.html

>  <CAS Number> (2,142)
123663-49-0

$$$$
S5651 Dexrazoxane.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,143)
4449

>  <Formula> (2,143)
C11H16N4O4

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268.26914

>  <Item Name> (2,143)
Dexrazoxane

>  <Catalog Number> (2,143)
S5651

>  <Synonyms> (2,143)
ICRF-187

>  <Target> (2,143)
Others

>  <Form> (2,143)
free base

>  <URL> (2,143)
http://selleckchem.com/products/dexrazoxane.html

>  <CAS Number> (2,143)
24584-09-6

$$$$
S5712 Zofenopril calcium.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,144)
4450

>  <Formula> (2,144)
C44H44CaN2O8S4

>  <MolWeight> (2,144)
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>  <Item Name> (2,144)
Zofenopril calcium

>  <Catalog Number> (2,144)
S5712

>  <Form> (2,144)
calcium salt

>  <CAS Number> (2,144)
81938-43-4 

$$$$
CCT245737.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,145)
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CCT245737 

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S8253

>  <Synonyms> (2,145)
N/A

>  <Target> (2,145)
Chk

>  <Form> (2,145)
free base

>  <URL> (2,145)
http://www.selleckchem.com/products/cct245737.html

>  <CAS Number> (2,145)
1489389-18-5

$$$$
S4653 L-Ornithine hydrochloride.cdx
csChFnd80/10101811552D

 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
    6.0622    3.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9822    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,146)
4453

>  <Formula> (2,146)
C5H13ClN2O2

>  <MolWeight> (2,146)
168.62192

>  <Item Name> (2,146)
L-Ornithine hydrochloride

>  <Catalog Number> (2,146)
S4653

>  <Form> (2,146)
hydrochloride 

>  <CAS Number> (2,146)
3184-13-2

$$$$
S5494 Salbutamol.cdx
csChFnd80/10101811552D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.8477    2.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6351    2.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    2.7970    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8439    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2737    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    4.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6288    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4171    0.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    2.7960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046    0.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6983    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3982    3.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9982    0.8833    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  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,147)
4454

>  <Formula> (2,147)
C13H21NO3

>  <MolWeight> (2,147)
239.31074

>  <Item Name> (2,147)
Salbutamol

>  <Catalog Number> (2,147)
S5494

>  <Synonyms> (2,147)
Albuterol; AH-3365

>  <Target> (2,147)
¦Â-adrenergic receptor

>  <Form> (2,147)
free base

>  <URL> (2,147)
http://selleckchem.com/products/.html

>  <CAS Number> (2,147)
18559-94-9

$$$$
S5501 Hydrocortisone acetate.cdx
csChFnd80/10101811552D

 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
    8.6342    2.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4913    3.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9187    4.2054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9187    2.7893    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0897    0.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    4.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943    2.0920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6784    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4699    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4328    0.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2563    2.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2401    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1057    3.8009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9027    1.1923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0450    4.5494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0094    5.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3617    6.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0163    6.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7211    7.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0736    7.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0667    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4330    9.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3049    5.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3049    1.3784    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 31  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 32  1  6  0  0  0
  3 23  1  6  0  0  0
  3 24  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 21  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  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
  9 22  1  6  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  1  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,148)
4456

>  <Formula> (2,148)
C23H32O6

>  <MolWeight> (2,148)
404.49658

>  <Item Name> (2,148)
Hydrocortisone acetate

>  <Catalog Number> (2,148)
S5501

>  <Synonyms> (2,148)
Hydrocortisone 21-acetate

>  <Target> (2,148)
Glucocorticoid receptor

>  <Form> (2,148)
free base

>  <URL> (2,148)
http://selleckchem.com/products/.html

>  <CAS Number> (2,148)
50-03-3

$$$$
S5537 Tizanidine.cdx
csChFnd80/10101811552D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.5609    2.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    2.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5609    0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8814    2.5613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    4.2284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511    2.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3449    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926    0.2700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6922    1.4030    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1601    4.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511    0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9188    2.8356    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0586    6.3418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8976    4.4119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6970    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,149)
4457

>  <Formula> (2,149)
C9H8ClN5S

>  <MolWeight> (2,149)
253.71132

>  <Item Name> (2,149)
Tizanidine

>  <Catalog Number> (2,149)
S5537

>  <CAS Number> (2,149)
51322-75-9

$$$$
S5559 Tetrahydropalmatine.cdx
csChFnd80/10101811552D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2654    2.7956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8406    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2642    4.1956    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4760    4.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0536    2.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8393    4.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0512    4.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    2.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6891    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4748    6.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6860    6.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9009    4.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8994    6.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4785    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4160    2.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6903    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6263    4.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4145    4.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  4  1  0  0  0  0
 10  4  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  2  0  0  0  0
 14  1  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17  6  2  0  0  0  0
 18 17  1  0  0  0  0
 19  8  1  0  0  0  0
 20 11  1  0  0  0  0
 21 13  1  0  0  0  0
 22 15  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 26 22  1  0  0  0  0
 16  9  1  0  0  0  0
  6  2  1  0  0  0  0
 13 12  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,150)
4460

>  <Formula> (2,150)
C21H25NO4

>  <MolWeight> (2,150)
355.4275

>  <Item Name> (2,150)
Tetrahydropalmatine

>  <Catalog Number> (2,150)
S5559

>  <Form> (2,150)
free base

>  <CAS Number> (2,150)
2934-97-6

$$$$
S5560 Midecamycin.cdx
csChFnd80/10101811552D

 57 59  0  0  0  0  0  0  0  0999 V2000
    6.0681    9.8144    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0681    8.4104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8559   10.5129    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2803   10.5129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    7.7117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2803    7.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4993    9.8144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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1270138-40-3

$$$$
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82009-34-5

$$$$
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843663-66-1

$$$$
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Benzalkonium chloride

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Immunology & Inflammation related

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free base

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

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63449-41-2

$$$$
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csChFnd80/10101811552D

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>  <Mol_ID> (2,156)
4469

>  <Formula> (2,156)
C30H34N8O3

>  <MolWeight> (2,156)
554.64276

>  <Item Name> (2,156)
Lazertinib (YH25448,GNS-1480)

>  <Catalog Number> (2,156)
S8724

>  <Form> (2,156)
free base

>  <CAS Number> (2,156)
1903008-80-9

$$$$
S5353 Cefpiramide sodium.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,157)
4470

>  <Formula> (2,157)
C25H23N8NaO7S2

>  <MolWeight> (2,157)
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>  <Item Name> (2,157)
Cefpiramide sodium

>  <Catalog Number> (2,157)
S5353

>  <CAS Number> (2,157)
74849-93-7 

$$$$
>  <Mol_ID> (2,158)
4491

>  <Item Name> (2,158)
Eptifibatide Acetate

>  <Catalog Number> (2,158)
P1011

>  <Form> (2,158)
Acetate

>  <CAS Number> (2,158)
148031-34-9

$$$$
>  <Mol_ID> (2,159)
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>  <Target> (2,159)
Gq

>  <URL> (2,159)
http://selleckchem.com/products/.html

>  <CAS Number> (2,159)
68521-88-0

$$$$
>  <Mol_ID> (2,160)
4505

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P1084

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DDAVP

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V2 receptors

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16679-58-6(free base)

$$$$
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csChFnd80/10101811552D

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850649-61-5

$$$$
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Adrenergic Receptor

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318-98-9

$$$$
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M  END
>  <Mol_ID> (2,165)
4512

>  <Formula> (2,165)
C31H40ClN7O8S2

>  <MolWeight> (2,165)
738.2744

>  <Item Name> (2,165)
Edoxaban

>  <Catalog Number> (2,165)
S7280

>  <Synonyms> (2,165)
DU-176b

>  <Target> (2,165)
Factor Xa

>  <Form> (2,165)
Tosylate hydrate

>  <URL> (2,165)
http://www.selleckchem.com/products/edoxaban.html

>  <CAS Number> (2,165)
1229194-11-9

$$$$
S5371 Ajmaline.cdx
csChFnd80/10101811552D

 29 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,166)
4916

>  <Formula> (2,166)
C20H26N2O2

>  <MolWeight> (2,166)
326.43264

>  <Item Name> (2,166)
Ajmaline

>  <Catalog Number> (2,166)
S5371

>  <Target> (2,166)
"Potassium Channel
Sodium Channel"

>  <Form> (2,166)
free base

>  <URL> (2,166)
http://selleckchem.com/products/.html

>  <CAS Number> (2,166)
4360-12-7

$$$$
S5385 Imidafenacin.cdx
csChFnd80/10101811552D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.7591    6.9469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
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 14  3  1  0  0  0  0
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 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,167)
4918

>  <Formula> (2,167)
C20H21N3O

>  <MolWeight> (2,167)
319.40024

>  <Item Name> (2,167)
Imidafenacin

>  <Catalog Number> (2,167)
S5385

>  <Target> (2,167)
mAChR

>  <Form> (2,167)
free base

>  <URL> (2,167)
http://selleckchem.com/products/.html

>  <CAS Number> (2,167)
170105-16-5 

$$$$
S5399 Chlorprothixene hydrochloride.cdx
csChFnd80/10101811552D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  2  0  0  0  0
M  END
>  <Mol_ID> (2,168)
4919

>  <Formula> (2,168)
C18H19Cl2NS

>  <MolWeight> (2,168)
352.32116

>  <Item Name> (2,168)
Chlorprothixene hydrochloride

>  <Catalog Number> (2,168)
S5399

>  <Target> (2,168)
AmpC Beta-Lactamase

>  <Form> (2,168)
free base

>  <URL> (2,168)
http://selleckchem.com/products/.html

>  <CAS Number> (2,168)
6469-93-8

$$$$
S5400 3-chloro-5-hydroxybenzoic Acid.cdx
csChFnd80/10101811552D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,169)
4920

>  <Formula> (2,169)
C7H5ClO3

>  <MolWeight> (2,169)
172.5658

>  <Item Name> (2,169)
3-chloro-5-hydroxybenzoic Acid

>  <Catalog Number> (2,169)
S5400

>  <Target> (2,169)
FKSG80

>  <Form> (2,169)
free base

>  <URL> (2,169)
http://selleckchem.com/products/.html

>  <CAS Number> (2,169)
53984-36-4

$$$$
S5418 Parecoxib Sodium.cdx
csChFnd80/10101811552D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,170)
4921

>  <Formula> (2,170)
C19H17N2NaO4S

>  <MolWeight> (2,170)
392.40405

>  <Item Name> (2,170)
Parecoxib Sodium

>  <Catalog Number> (2,170)
S5418

>  <Target> (2,170)
calcium channel

>  <Form> (2,170)
free base

>  <URL> (2,170)
http://selleckchem.com/products/.html

>  <CAS Number> (2,170)
198470-85-8

$$$$
S5531 Doripenem.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,171)
4922

>  <Formula> (2,171)
C15H24N4O6S2

>  <MolWeight> (2,171)
420.50426

>  <Item Name> (2,171)
Doripenem

>  <Catalog Number> (2,171)
S5531

>  <Target> (2,171)
Bacterial

>  <Form> (2,171)
free base

>  <URL> (2,171)
http://selleckchem.com/products/.html

>  <CAS Number> (2,171)
148016-81-3

$$$$
S5533 Tobramycin sulfate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,172)
4923

>  <Formula> (2,172)
C36H84N10O38S5

>  <MolWeight> (2,172)
1425.42136

>  <Item Name> (2,172)
Tobramycin sulfate

>  <Catalog Number> (2,172)
S5533

>  <Form> (2,172)
free base

>  <CAS Number> (2,172)
79645-27-5

$$$$
S5581 Olmesartan.cdx
csChFnd80/10101811552D

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   12.2750    7.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4875    6.3756    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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 29 32  1  0  0  0  0
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M  END
>  <Mol_ID> (2,173)
4924

>  <Formula> (2,173)
C24H26N6O3

>  <MolWeight> (2,173)
446.50164

>  <Item Name> (2,173)
Olmesartan

>  <Catalog Number> (2,173)
S5581

>  <Target> (2,173)
Angiotensin Receptor

>  <Form> (2,173)
free base

>  <URL> (2,173)
http://selleckchem.com/products/.html

>  <CAS Number> (2,173)
144689-24-7

$$$$
S5592 Vitamin A.cdx
csChFnd80/10101811552D

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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
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  9 11  1  0  0  0  0
  7 20  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,174)
4926

>  <Formula> (2,174)
C20H30O

>  <MolWeight> (2,174)
286.4516

>  <Item Name> (2,174)
Vitamin A

>  <Catalog Number> (2,174)
S5592

>  <Target> (2,174)
Others

>  <Form> (2,174)
free base

>  <URL> (2,174)
http://selleckchem.com/products/.html

>  <CAS Number> (2,174)
68-26-8

$$$$
S5238 Solifenacin.cdx
csChFnd80/10101811552D

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 20 21  1  0  0  0  0
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 25 13  1  6  0  0  0
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 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,175)
4927

>  <Formula> (2,175)
C23H26N2O2

>  <MolWeight> (2,175)
362.46474

>  <Item Name> (2,175)
Solifenacin

>  <Catalog Number> (2,175)
S5238

>  <Form> (2,175)
free base

>  <CAS Number> (2,175)
242478-37-1

$$$$
S5278 Tedizolid.cdx
csChFnd80/10101811552D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7431    0.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7431    2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 13  8  2  0  0  0  0
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M  END
>  <Mol_ID> (2,176)
4928

>  <Formula> (2,176)
C17H15FN6O3

>  <MolWeight> (2,176)
370.3378032

>  <Item Name> (2,176)
Tedizolid

>  <Catalog Number> (2,176)
S5278

>  <Target> (2,176)
Bacterial

>  <URL> (2,176)
http://selleckchem.com/products/.html

>  <CAS Number> (2,176)
856866-72-3

$$$$
S5532 Erythromycin estolate.cdx
csChFnd80/10101811552D

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Erythromycin estolate

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ABCB11

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free base

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

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3521-62-8

$$$$
S5535 Moxifloxacin.cdx
csChFnd80/10101811552D

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free base

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151096-09-2

$$$$
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csChFnd80/10101811552D

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free base

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59887-89-7

$$$$
S5564 Xylazine.cdx
csChFnd80/10101811552D

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Xylazine

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free base

>  <URL> (2,180)
http://selleckchem.com/products/.html

>  <CAS Number> (2,180)
7361-61-7

$$$$
S5568 Tocofersolan.cdx
csChFnd80/10101811552D

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$$$$
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$$$$
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csChFnd80/10101811552D

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96-88-8 

$$$$
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>  <Mol_ID> (2,185)
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>  <Formula> (2,185)
C17H19F2N3O3

>  <MolWeight> (2,185)
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>  <Item Name> (2,185)
Lomefloxacin

>  <Catalog Number> (2,185)
S5491

>  <Target> (2,185)
Bacterial

>  <Form> (2,185)
free base

>  <URL> (2,185)
http://selleckchem.com/products/.html

>  <CAS Number> (2,185)
98079-51-7

$$$$
S5505 2'-deoxyuridine.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,186)
4948

>  <Formula> (2,186)
C9H12N2O5

>  <MolWeight> (2,186)
228.20198

>  <Item Name> (2,186)
2'-deoxyuridine

>  <Catalog Number> (2,186)
S5505

>  <Target> (2,186)
kinase

>  <URL> (2,186)
http://selleckchem.com/products/.html

>  <CAS Number> (2,186)
951-78-0

$$$$
S5507 Trimebutine maleate.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,187)
4949

>  <Formula> (2,187)
C26H33NO9

>  <MolWeight> (2,187)
503.54152

>  <Item Name> (2,187)
Trimebutine maleate

>  <Catalog Number> (2,187)
S5507

>  <Target> (2,187)
Lamin A Splicing

>  <URL> (2,187)
http://selleckchem.com/products/.html

>  <CAS Number> (2,187)
34140-59-5

$$$$
S5539 Olprinone.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,188)
4950

>  <Formula> (2,188)
C14H10N4O

>  <MolWeight> (2,188)
250.2554

>  <Item Name> (2,188)
Olprinone

>  <Catalog Number> (2,188)
S5539

>  <Target> (2,188)
Phosphodiesterase (PDE)

>  <Form> (2,188)
free base

>  <URL> (2,188)
http://selleckchem.com/products/.html

>  <CAS Number> (2,188)
106730-54-5

$$$$
S5640 Ethyl caffeate.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,189)
4951

>  <Formula> (2,189)
C11H12O4

>  <MolWeight> (2,189)
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>  <Item Name> (2,189)
Ethyl caffeate

>  <Catalog Number> (2,189)
S5640

>  <Target> (2,189)
Cox-2, iNOS, NOS II, and PGE2

>  <URL> (2,189)
http://selleckchem.com/products/.html

>  <CAS Number> (2,189)
102-37-4

$$$$
S5700 Phthalylsulfathiazole.cdx
csChFnd80/10101811552D

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4952

>  <Formula> (2,190)
C17H13N3O5S2

>  <MolWeight> (2,190)
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>  <Item Name> (2,190)
Phthalylsulfathiazole

>  <Catalog Number> (2,190)
S5700

>  <Target> (2,190)
Bacterial

>  <Form> (2,190)
free base

>  <URL> (2,190)
http://selleckchem.com/products/.html

>  <CAS Number> (2,190)
85-73-4

$$$$
S5703 Carvedilol Phosphate.cdx
csChFnd80/10101811552D

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A   36
?0.5H2O?
M  END
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4953

>  <Formula> (2,191)
C24H29N2O8PR

>  <MolWeight> (2,191)
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>  <Item Name> (2,191)
Carvedilol Phosphate

>  <Catalog Number> (2,191)
S5703

>  <Target> (2,191)
Others

>  <Form> (2,191)
free base

>  <URL> (2,191)
http://selleckchem.com/products/.html

>  <CAS Number> (2,191)
610309-89-2 

$$$$
S9501 Pedunculoside.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,192)
4954

>  <Formula> (2,192)
C36H58O10

>  <MolWeight> (2,192)
650.83972

>  <Item Name> (2,192)
Pedunculoside

>  <Catalog Number> (2,192)
S9501

>  <Form> (2,192)
free base

>  <CAS Number> (2,192)
42719-32-4

$$$$
S5280 Dimemorfan phosphate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,193)
4956

>  <Formula> (2,193)
C18H28NO4P

>  <MolWeight> (2,193)
353.392981

>  <Item Name> (2,193)
Dimemorfan phosphate

>  <Catalog Number> (2,193)
S5280

>  <Target> (2,193)
ER-alpha

>  <URL> (2,193)
http://selleckchem.com/products/.html

>  <CAS Number> (2,193)
36304-84-4

$$$$
S5287 Tiletamine Hydrochloride.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,194)
4957

>  <Formula> (2,194)
C12H18ClNOS

>  <MolWeight> (2,194)
259.79542

>  <Item Name> (2,194)
Tiletamine Hydrochloride

>  <Catalog Number> (2,194)
S5287

>  <Target> (2,194)
ER-alpha

>  <URL> (2,194)
http://selleckchem.com/products/.html

>  <CAS Number> (2,194)
14176-50-2

$$$$
S5288 Estropipate.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,195)
4958

>  <Formula> (2,195)
C22H32N2O5S

>  <MolWeight> (2,195)
436.56488

>  <Item Name> (2,195)
Estropipate

>  <Catalog Number> (2,195)
S5288

>  <Target> (2,195)
Estrogen Receptor/ERR

>  <URL> (2,195)
http://selleckchem.com/products/.html

>  <CAS Number> (2,195)
7280-37-7

$$$$
S5395 Phenolphthalein.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,196)
4960

>  <Formula> (2,196)
C20H14O4

>  <MolWeight> (2,196)
318.32276

>  <Item Name> (2,196)
Phenolphthalein

>  <Catalog Number> (2,196)
S5395

>  <Target> (2,196)
Fluorescent Dyes/Probes

>  <Form> (2,196)
free base

>  <URL> (2,196)
http://selleckchem.com/products/.html

>  <CAS Number> (2,196)
77-09-8

$$$$
S5396 4'-Hydroxypropiophenone.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,197)
4961

>  <Formula> (2,197)
C9H10O2

>  <MolWeight> (2,197)
150.1745

>  <Item Name> (2,197)
4'-Hydroxypropiophenone

>  <Catalog Number> (2,197)
S5396

>  <Target> (2,197)
APE1

>  <Form> (2,197)
free base

>  <URL> (2,197)
http://selleckchem.com/products/.html

>  <CAS Number> (2,197)
70-70-2 

$$$$
S5397 Chlorhexidine.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,198)
4962

>  <Formula> (2,198)
C22H30Cl2N10

>  <MolWeight> (2,198)
505.4466

>  <Item Name> (2,198)
Chlorhexidine

>  <Catalog Number> (2,198)
S5397

>  <Target> (2,198)
Bacterial

>  <Form> (2,198)
free base

>  <URL> (2,198)
http://selleckchem.com/products/.html

>  <CAS Number> (2,198)
55-56-1

$$$$
S5398 Nefazodone hydrochloride.cdx
csChFnd80/10101811552D

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>  <Target> (2,199)
5-HT Receptor

>  <Form> (2,199)
free base

>  <URL> (2,199)
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>  <CAS Number> (2,199)
82752-99-6

$$$$
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csChFnd80/10101811552D

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S5577

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"NO Synthase
Endogenous Metabolite"

>  <Form> (2,200)
free base

>  <URL> (2,200)
http://selleckchem.com/products/.html

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22150-76-1
22150-76-1

$$$$
S5702 Fenipentol.cdx
csChFnd80/10101811552D

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C11H16O

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Fenipentol

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S5702

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AR

>  <Form> (2,201)
free base

>  <URL> (2,201)
http://selleckchem.com/products/.html

>  <CAS Number> (2,201)
583-03-9 

$$$$
S4997 4-Butylresorcinol.cdx
csChFnd80/10101811552D

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S4997

>  <Target> (2,202)
Tyrosinase

>  <URL> (2,202)
http://selleckchem.com/products/.html

>  <CAS Number> (2,202)
18979-61-8

$$$$
S5416 Metyrapone.cdx
csChFnd80/10101811552D

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4970

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C14H14N2O

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226.27376

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Metyrapone

>  <Catalog Number> (2,203)
S5416

>  <Target> (2,203)
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Autophagy"

>  <Form> (2,203)
free base

>  <URL> (2,203)
http://selleckchem.com/products/.html

>  <CAS Number> (2,203)
54-36-4

$$$$
S5450 Sofalcone.cdx
csChFnd80/10101811552D

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>  <Formula> (2,204)
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Sofalcone

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>  <Target> (2,204)
Autophagy

>  <Form> (2,204)
free base

>  <URL> (2,204)
http://selleckchem.com/products/.html

>  <CAS Number> (2,204)
64506-49-6

$$$$
S5487 Cefoperazone sodium.cdx
csChFnd80/10101811552D

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>  <Formula> (2,205)
C25H26N9NaO8S2

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Cefoperazone sodium

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S5487

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PPARd

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free base

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

>  <CAS Number> (2,205)
62893-20-3

$$$$
S5488 Fluorescein.cdx
csChFnd80/10101811552D

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4974

>  <Formula> (2,206)
C20H12O5

>  <MolWeight> (2,206)
332.30628

>  <Item Name> (2,206)
Fluorescein

>  <Catalog Number> (2,206)
S5488

>  <Target> (2,206)
Fluorescent Dyes/Probes

>  <Form> (2,206)
free base

>  <URL> (2,206)
http://selleckchem.com/products/.html
http://selleckchem.com/products/.html

>  <CAS Number> (2,206)
2321-07-5

$$$$
S5593 5-Carboxy-8-hydroxyquinoline.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,207)
4975

>  <Formula> (2,207)
C10H7NO3

>  <MolWeight> (2,207)
189.16748

>  <Item Name> (2,207)
5-Carboxy-8-hydroxyquinoline

>  <Catalog Number> (2,207)
S5593

>  <Target> (2,207)
KDM6B

>  <Form> (2,207)
free base

>  <URL> (2,207)
http://selleckchem.com/products/.html

>  <CAS Number> (2,207)
5852-78-8

$$$$
S5546 Sulfacetamide.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,208)
4979

>  <Formula> (2,208)
C8H10N2O3S

>  <MolWeight> (2,208)
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Sulfacetamide

>  <Catalog Number> (2,208)
S5546

>  <Target> (2,208)
Bacterial

>  <Form> (2,208)
free base

>  <URL> (2,208)
http://selleckchem.com/products/.html

>  <CAS Number> (2,208)
144-80-9

$$$$
S5600 Flavokawain A.cdx
csChFnd80/10101811552D

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4980

>  <Formula> (2,209)
C18H18O5

>  <MolWeight> (2,209)
314.33252

>  <Item Name> (2,209)
Flavokawain A

>  <Catalog Number> (2,209)
S5600

>  <Target> (2,209)
ABCG2

>  <Form> (2,209)
free base

>  <URL> (2,209)
http://selleckchem.com/products/.html

>  <CAS Number> (2,209)
3420-72-2

$$$$
S5601 Balofloxacin Dihydrate.cdx
csChFnd80/10101811552D

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    9.7222   20.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   20.2927    0.0000 O   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  9  2  0  0  0  0
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 10  5  1  0  0  0  0
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  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 26 21  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,210)
4981

>  <Formula> (2,210)
C20H28FN3O6

>  <MolWeight> (2,210)
425.4512232

>  <Item Name> (2,210)
Balofloxacin Dihydrate

>  <Catalog Number> (2,210)
S5601

>  <Target> (2,210)
PPARD

>  <Form> (2,210)
free base

>  <URL> (2,210)
http://selleckchem.com/products/.html

>  <CAS Number> (2,210)
151060-21-8

$$$$
S5603 5-Bromocytosine.cdx
csChFnd80/10101811552D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4300    2.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6384    2.0988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300    4.2095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2012    0.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8183    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6268    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4075    0.0095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8392    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
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  5  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,211)
4983

>  <Formula> (2,211)
C4H4BrN3O

>  <MolWeight> (2,211)
189.99806

>  <Item Name> (2,211)
5-Bromocytosine

>  <Catalog Number> (2,211)
S5603

>  <Target> (2,211)
XDH

>  <Form> (2,211)
free base

>  <URL> (2,211)
http://selleckchem.com/products/.html

>  <CAS Number> (2,211)
2240-25-7

$$$$
S5606 Sulfamide.cdx
csChFnd80/10101811552D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.4000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    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  2  0  0  0  0
  1  5  2  0  0  0  0
M  END
>  <Mol_ID> (2,212)
4985

>  <Formula> (2,212)
H4N2O2S

>  <MolWeight> (2,212)
96.10896

>  <Item Name> (2,212)
Sulfamide

>  <Catalog Number> (2,212)
S5606

>  <Target> (2,212)
CA6

>  <Form> (2,212)
free base

>  <URL> (2,212)
http://selleckchem.com/products/.html

>  <CAS Number> (2,212)
7803-58-9

$$$$
S5478 Dantrolene sodium.cdx
csChFnd80/10101811552D

 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
    4.8664    3.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3513    3.6281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2239    5.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540    4.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8664    2.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2876    4.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5892    5.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    3.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6463    1.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6743    4.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    2.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5535    5.6036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    1.3848    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.9391    5.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0894    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.9365    6.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6411    4.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1965    5.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9726    4.3498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9178    2.9106    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.4429    6.3608    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  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  6 10  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,213)
4990

>  <Formula> (2,213)
C14H9N4NaO5

>  <MolWeight> (2,213)
336.23483

>  <Item Name> (2,213)
Dantrolene sodium

>  <Catalog Number> (2,213)
S5478

>  <Synonyms> (2,213)
"sodium;3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-oxo-4H-imidazol-2-olate
DANTROLENE SO

>  <Target> (2,213)
calcium channel

>  <Form> (2,213)
free base

>  <URL> (2,213)
http://selleckchem.com/products/.html

>  <CAS Number> (2,213)
14663-23-1

$$$$
S5504 Ropivacaine.cdx
csChFnd80/10101811552D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.0496    2.1002    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2621    2.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2621    4.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    2.1002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    4.1929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4703    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4703    6.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    4.8953    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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  3  8  2  0  0  0  0
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  5 10  1  0  0  0  0
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 15 18  2  0  0  0  0
 15 20  1  0  0  0  0
 16 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,214)
4992

>  <Formula> (2,214)
C17H26N2O

>  <MolWeight> (2,214)
274.40114

>  <Item Name> (2,214)
Ropivacaine

>  <Catalog Number> (2,214)
S5504

>  <Target> (2,214)
Potassium Channel

>  <URL> (2,214)
http://selleckchem.com/products/.html

>  <CAS Number> (2,214)
84057-95-4

$$$$
S5619 Betahistine.cdx
csChFnd80/10101811552D

 10 10  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    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
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  9 10  1  0  0  0  0
  8  9  1  0  0  0  0
  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,215)
4994

>  <Formula> (2,215)
C8H12N2

>  <MolWeight> (2,215)
136.19428

>  <Item Name> (2,215)
Betahistine

>  <Catalog Number> (2,215)
S5619

>  <Target> (2,215)
Histamine Receptor

>  <Form> (2,215)
free base

>  <URL> (2,215)
http://selleckchem.com/products/.html

>  <CAS Number> (2,215)
5638-76-6

$$$$
S5638 Cefozopran hydrochloride.cdx
csChFnd80/10101811552D

 37 40  0  0  0  0  0  0  0  0999 V2000
    4.1127    2.7993    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7558    2.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0507    1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6743    1.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6991    3.7568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0737    3.7402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0109    4.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2697    4.1796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4468   10.1804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3365    8.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8842    7.5324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1124    6.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8422    8.9790    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4296    4.4038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4297    2.9132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7344    2.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8280    4.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8338    2.8874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3240    4.2087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.7256    4.9016    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7389    0.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9459    0.0102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9276    2.8129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3276    2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3140    2.0189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    5.6053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 29 30  2  0  0  0  0
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 27 35  1  0  0  0  0
 35  1  1  0  0  0  0
 24 36  1  1  0  0  0
M  END
>  <Mol_ID> (2,216)
4996

>  <Formula> (2,216)
C19H18ClN9O5S2

>  <MolWeight> (2,216)
551.98652

>  <Item Name> (2,216)
Cefozopran hydrochloride

>  <Catalog Number> (2,216)
S5638

>  <Target> (2,216)
Others

>  <Form> (2,216)
free base

>  <URL> (2,216)
http://selleckchem.com/products/.html

>  <CAS Number> (2,216)
113981-44-5

$$$$
S5644 Ceftriaxone Sodium.cdx
csChFnd80/10101811552D

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M  END
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>  <Formula> (2,217)
C18H16N8Na2O7S3

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598.54358

>  <Item Name> (2,217)
Ceftriaxone Sodium

>  <Catalog Number> (2,217)
S5644

>  <Target> (2,217)
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>  <Form> (2,217)
free base

>  <URL> (2,217)
http://selleckchem.com/products/.html

>  <CAS Number> (2,217)
74578-69-1

$$$$
S5650 Sodium Hyaluronate.cdx
csChFnd80/10101811552D

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n
M  END
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5000

>  <Formula> (2,218)
C14H20NNaO11R

>  <MolWeight> (2,218)
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>  <Item Name> (2,218)
Sodium Hyaluronate

>  <Catalog Number> (2,218)
S5650

>  <Target> (2,218)
Others

>  <Form> (2,218)
free base

>  <URL> (2,218)
http://selleckchem.com/products/.html

>  <CAS Number> (2,218)
9067-32-7

$$$$
S5704 Myclobutanil.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,219)
5010

>  <Formula> (2,219)
C15H17ClN4

>  <MolWeight> (2,219)
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>  <Item Name> (2,219)
Myclobutanil

>  <Catalog Number> (2,219)
S5704

>  <Target> (2,219)
Fungal

>  <Form> (2,219)
free base

>  <URL> (2,219)
http://selleckchem.com/products/.html

>  <CAS Number> (2,219)
88671-89-0

$$$$
S5710 Ambroxol.cdx
csChFnd80/10101811552D

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>  <Formula> (2,220)
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>  <MolWeight> (2,220)
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>  <Item Name> (2,220)
Ambroxol

>  <Catalog Number> (2,220)
S5710

>  <Target> (2,220)
Others

>  <URL> (2,220)
http://selleckchem.com/products/.html

>  <CAS Number> (2,220)
18683-91-5

$$$$
S5663 Minaprine dihydrochloride.cdx
csChFnd80/10101811552D

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>  <Formula> (2,221)
C17H24Cl2N4O

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>  <Item Name> (2,221)
Minaprine dihydrochloride

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S5663

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free base

>  <URL> (2,221)
http://selleckchem.com/products/.html

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25905-77-5

$$$$
S5668 Chlorindione.cdx
csChFnd80/10101811552D

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>  <Formula> (2,222)
C15H9ClO2

>  <MolWeight> (2,222)
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>  <Item Name> (2,222)
Chlorindione

>  <Catalog Number> (2,222)
S5668

>  <Target> (2,222)
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>  <Form> (2,222)
free base

>  <URL> (2,222)
http://selleckchem.com/products/.html

>  <CAS Number> (2,222)
1146-99-2

$$$$
S5625 Ammonium lactate.cdx
csChFnd80/10101811552D

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5034

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C3H9NO3

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>  <Item Name> (2,223)
Ammonium lactate

>  <Catalog Number> (2,223)
S5625

>  <Target> (2,223)
Nucleoprotein (Rift valley fever virus (STRA

>  <Form> (2,223)
free base

>  <URL> (2,223)
http://selleckchem.com/products/.html

>  <CAS Number> (2,223)
515-98-0

$$$$
S5649 Hydroxyzine pamoate.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,224)
5040

>  <Formula> (2,224)
C44H43ClN2O8

>  <MolWeight> (2,224)
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>  <Item Name> (2,224)
Hydroxyzine pamoate

>  <Catalog Number> (2,224)
S5649

>  <Target> (2,224)
H1-receptor

>  <Form> (2,224)
free base

>  <URL> (2,224)
http://selleckchem.com/products/.html

>  <CAS Number> (2,224)
10246-75-0

$$$$
S5662 Ranitidine.cdx
csChFnd80/10101811552D

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>  <Formula> (2,225)
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>  <MolWeight> (2,225)
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>  <Item Name> (2,225)
Ranitidine

>  <Catalog Number> (2,225)
S5662

>  <Target> (2,225)
Histamine Receptor

>  <Form> (2,225)
free base

>  <URL> (2,225)
http://selleckchem.com/products/.html

>  <CAS Number> (2,225)
66357-35-5

$$$$
S5724 Dichlorophene.cdx
csChFnd80/10101811552D

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VDR

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97-23-4

$$$$
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csChFnd80/10101811552D

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NF-kB

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free base

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57-11-4 

$$$$
S5725 Pempidine.cdx
csChFnd80/10101811552D

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free base

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79-55-0 

$$$$
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csChFnd80/10101811552D

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GLI3

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free base

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6064-83-1

$$$$
S4281 Tasimelteon.cdx
csChFnd80/10101811552D

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Melatonin Receptor

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free base

>  <URL> (2,230)
http://selleckchem.com/products/.html

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609799-22-6  

$$$$
S5067 Losartan.cdx
csChFnd80/10101811552D

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Angiotensin Receptor

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free base

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114798-26-4

$$$$
S5203 Sulbutiamine.cdx
csChFnd80/10101811552D

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Sulbutiamine

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>  <Target> (2,232)
Others

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free base

>  <URL> (2,232)
http://selleckchem.com/products/.html

>  <CAS Number> (2,232)
3286-46-2

$$$$
S5676 Zearalenone.cdx
csChFnd80/10101811552D

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5104

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C18H22O5

>  <MolWeight> (2,233)
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>  <Item Name> (2,233)
Zearalenone

>  <Catalog Number> (2,233)
S5676

>  <Target> (2,233)
ER

>  <Form> (2,233)
free base

>  <URL> (2,233)
http://selleckchem.com/products/.html

>  <CAS Number> (2,233)
17924-92-4

$$$$
S5728 Delapril Hydrochloride.cdx
csChFnd80/10101811552D

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5105

>  <Formula> (2,234)
C26H33ClN2O5

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Delapril Hydrochloride

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S5728

>  <Target> (2,234)
RXRA

>  <Form> (2,234)
hydrochloride 

>  <URL> (2,234)
http://selleckchem.com/products/.html

>  <CAS Number> (2,234)
83435-67-0 

$$$$
GI254023X.cdx
csChFnd80/10101811552D

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5107

>  <Formula> (2,235)
C21H33N3O4

>  <MolWeight> (2,235)
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>  <Item Name> (2,235)
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>  <Catalog Number> (2,235)
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>  <Synonyms> (2,235)
GI 4023

>  <Target> (2,235)
Immunology & Inflammation related

>  <Form> (2,235)
free base

>  <URL> (2,235)
http://selleckchem.com/products/gi254023x.html

>  <CAS Number> (2,235)
260264-93-5

$$$$
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csChFnd80/10101811552D

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>  <Formula> (2,236)
C49H55N9O7

>  <MolWeight> (2,236)
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>  <Item Name> (2,236)
Elbasvir

>  <Catalog Number> (2,236)
S5652

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MK8742

>  <Target> (2,236)
HCV Protease

>  <Form> (2,236)
free base

>  <URL> (2,236)
http://selleckchem.com/products/elbasvir.html

>  <CAS Number> (2,236)
1370468-36-2

$$$$
S5654 Indacaterol.cdx
csChFnd80/10101811552D

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5109

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C24H28N2O3

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Indacaterol

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S5654

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N/A

>  <Target> (2,237)
Adrenergic Receptor

>  <Form> (2,237)
free base

>  <URL> (2,237)
http://selleckchem.com/products/indacaterol.html

>  <CAS Number> (2,237)
312753-06-3

$$$$
S5655 Venlafaxine.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,238)
5110

>  <Formula> (2,238)
C17H27NO2

>  <MolWeight> (2,238)
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>  <Item Name> (2,238)
Venlafaxine

>  <Catalog Number> (2,238)
S5655

>  <Synonyms> (2,238)
Wy 45030

>  <Target> (2,238)
5-HT Receptor

>  <Form> (2,238)

free base

>  <URL> (2,238)
http://selleckchem.com/products/venlafaxine.html

>  <CAS Number> (2,238)
93413-69-5

$$$$
S5657 Ertapenem sodium.cdx
csChFnd80/10101811552D

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5111

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497.49663

>  <Item Name> (2,239)
Ertapenem sodium

>  <Catalog Number> (2,239)
S5657

>  <Synonyms> (2,239)
MK826

>  <Target> (2,239)
Anti-infection

>  <Form> (2,239)
sodium salt

>  <URL> (2,239)
http://selleckchem.com/products/ertapenem-sodium.html

>  <CAS Number> (2,239)
153773-82-1

$$$$
S5659 Emedastine.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,240)
5112

>  <Formula> (2,240)
C17H26N4O

>  <MolWeight> (2,240)
302.41454

>  <Item Name> (2,240)
Emedastine

>  <Catalog Number> (2,240)
S5659

>  <Synonyms> (2,240)
N/A

>  <Target> (2,240)
Histamine Receptor

>  <Form> (2,240)
free base

>  <URL> (2,240)
http://selleckchem.com/products/emedastine.html

>  <CAS Number> (2,240)
87233-61-2

$$$$
S5661 Tiaprofenic acid.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,241)
5113

>  <Formula> (2,241)
C14H12O3S

>  <MolWeight> (2,241)
260.30828

>  <Item Name> (2,241)
Tiaprofenic acid

>  <Catalog Number> (2,241)
S5661

>  <Synonyms> (2,241)
Tiaprofensaeure, Acido tiaprofenico

>  <Target> (2,241)
Immunology & Inflammation related

>  <Form> (2,241)
free base

>  <URL> (2,241)
http://selleckchem.com/products/tiaprofenic-acid.html

>  <CAS Number> (2,241)
33005-95-7

$$$$
S5709 Norgestrel.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,242)
5116

>  <Formula> (2,242)
C21H28O2

>  <MolWeight> (2,242)
312.44582

>  <Item Name> (2,242)
Norgestrel

>  <Catalog Number> (2,242)
S5709

>  <Target> (2,242)
CDK

>  <Form> (2,242)
free base

>  <URL> (2,242)
http://selleckchem.com/products/abemaciclib.html

>  <CAS Number> (2,242)
6533-00-2 

$$$$
S5711 Deracoxib.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,243)
5117

>  <Formula> (2,243)
C17H14F3N3O3S

>  <MolWeight> (2,243)
397.3715696

>  <Item Name> (2,243)
Deracoxib

>  <Catalog Number> (2,243)
S5711

>  <Synonyms> (2,243)
SC-046

>  <Target> (2,243)
COX

>  <Form> (2,243)
free base

>  <URL> (2,243)
http://selleckchem.com/products/deracoxib.html

>  <CAS Number> (2,243)
169590-41-4 

$$$$
S5714 lurasidone.cdx
csChFnd80/10101811552D

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M  END
>  <Mol_ID> (2,244)
5118

>  <Formula> (2,244)
C28H36N4O2S

>  <MolWeight> (2,244)
492.67604

>  <Item Name> (2,244)
lurasidone

>  <Catalog Number> (2,244)
S5714

>  <Synonyms> (2,244)
SM-13496

>  <Target> (2,244)
Dopamine Receptor,5-HT Receptor

>  <Form> (2,244)
free base

>  <URL> (2,244)
http://selleckchem.com/products/lurasidone.html

>  <CAS Number> (2,244)
367514-87-2

$$$$
S5716 Abemaciclib.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,245)
5119

>  <Formula> (2,245)
C27H32F2N8

>  <MolWeight> (2,245)
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>  <Item Name> (2,245)
Abemaciclib

>  <Catalog Number> (2,245)
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>  <Synonyms> (2,245)
LY2835219

>  <Target> (2,245)
CDK

>  <Form> (2,245)
free base

>  <URL> (2,245)
http://selleckchem.com/products/abemaciclib.html

>  <CAS Number> (2,245)
1231929-97-7 

$$$$
S5717 Acetohexamide.cdx
csChFnd80/10101811552D

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>  <Mol_ID> (2,246)
5120

>  <Formula> (2,246)
C15H20N2O4S

>  <MolWeight> (2,246)
324.3953

>  <Item Name> (2,246)
Acetohexamide

>  <Catalog Number> (2,246)
S5717

>  <Synonyms> (2,246)
N/A

>  <Target> (2,246)
Others

>  <Form> (2,246)
free base

>  <URL> (2,246)
http://selleckchem.com/products/acetohexamide.html

>  <CAS Number> (2,246)
968-81-0

$$$$
