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untitled.cdx
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796967-16-3

$$$$
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PARP 

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912444-00-9

$$$$
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AG 013736

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VEGFR, PDGFR, c-Kit

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Free Base

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

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319460-85-0

$$$$
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Src, Bcr-Abl

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Free Base

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http://www.selleckchem.com/products/AZD0530.html

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379231-04-6

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csChFnd80/07171813002D

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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

$$$$
untitled.cdx
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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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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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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)
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MEK 

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

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

$$$$
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302962-49-8

$$$$
untitled.cdx
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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) 

>  <Catalog Number> (12)
S1022

>  <Synonyms> (12)
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
csChFnd80/07171813002D

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>  <Mol_ID> (13)
19

>  <Formula> (13)
C22H24ClFN4O3

>  <MolWeight> (13)
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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
csChFnd80/07171813002D

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>  <Mol_ID> (14)
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C43H42ClFN4O10S3

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Lapatinib (GW-572016) Ditosylate

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S1028

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GW-57201

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EGFR, HER2

>  <Form> (14)
Ditosylat

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

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

$$$$
untitled.cdx
csChFnd80/07171813002D

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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

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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
csChFnd80/07171813002D

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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
csChFnd80/07171813002D

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>  <Mol_ID> (17)
25

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C28H22F3N7O

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Nilotinib (AMN-107)

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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
csChFnd80/07171813002D

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635702-64-6

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MEK 

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Free Base

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http://www.selleckchem.com/products/PD-0325901.html

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

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HDAC 

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Free Base

>  <URL> (20)
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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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Rapamycin (Sirolimus)

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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

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C15H13N3S

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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

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C22H24BrFN4O2

>  <MolWeight> (26)
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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

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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
csChFnd80/07171813002D

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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
csChFnd80/07171813002D

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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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763113-22-0

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$$$$
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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
csChFnd80/07171813002D

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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)
50

>  <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)
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>  <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

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280744-09-4

$$$$
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S1077

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N/A

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p38 MAPK 

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Free Base

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

>  <CAS Number> (41)
152121-30-7

$$$$

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Akt

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>  <URL> (42)
http://www.selleckchem.com/products/MK-2206.html

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1032350-13-2

$$$$
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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
csChFnd80/07171813002D

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>  <Mol_ID> (44)
59

>  <Formula> (44)
C19H14Cl2N2O3S

>  <MolWeight> (44)
421.29706

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

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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

$$$$
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csChFnd80/07171813002D

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60

>  <Formula> (45)
C19H19FN4O3

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370.3775632

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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
csChFnd80/07171813002D

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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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HDAC 

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ATM 

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C20H17Cl3N4

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Vatalanib (PTK787) 2HCl

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S1101

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

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VEGFR, c-Kit, Flt

>  <Form> (55)
Dihydrochloride

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

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212141-51-0

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>  <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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GDC-0879

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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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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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c-Met 

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1022150-57-7

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mTOR

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159351-69-6

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Bcl-2 

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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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 16 20  1  0  0  0  0
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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

$$$$

csChFnd80/07171813002D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10  2  1  0  0  0  0
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 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
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 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
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 19 20  2  0  0  0  0
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 21 18  2  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
csChFnd80/07171813002D

 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
csChFnd80/07171813002D

 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
 10 12  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
csChFnd80/07171813002D

 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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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

$$$$
untitled.cdx
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Raf 

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918505-84-7

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CDK 

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186692-46-6 

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Aurora Kinase

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1146618-41-8

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STAT

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N/A

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EGFR

>  <Form> (95)
Free Base

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http://www.selleckchem.com/products/WZ8040.html

>  <CAS Number> (95)
1214265-57-2

$$$$
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csChFnd80/07171813002D

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312.3101496

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S1180 

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N/A 

>  <Target> (96)
Wnt/beta-catenin

>  <Form> (96)
Free Base

>  <URL> (96)
http://www.selleckchem.com/products/XAV-939.html

>  <CAS Number> (96)
284028-89-3

$$$$
ENMD-2076.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (97)
130

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C21H25N7

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375.4701

>  <Item Name> (97)
ENMD-2076

>  <Catalog Number> (97)
S1181

>  <Synonyms> (97)
N/A 

>  <Target> (97)
Flt, Aurora Kinase, VEGFR

>  <Form> (97)
Tartaric Acid 

>  <URL> (97)
http://www.selleckchem.com/products/ENMD-2076.html

>  <CAS Number> (97)
934353-76-1

$$$$
Danoprevir (RG7227,ITMN-191,RO5190591).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (98)
131

>  <Formula> (98)
C35H46FN5O9S

>  <MolWeight> (98)
731.8312432

>  <Item Name> (98)
Danoprevir (ITMN-191)

>  <Catalog Number> (98)
S1183

>  <Synonyms> (98)
RG7227, ITMN-191, RO5190591

>  <Target> (98)
Proteasome, HCV Protease

>  <Form> (98)
Free Base

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

>  <CAS Number> (98)
850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5

$$$$
Ritonavir.cdx
csChFnd80/07171813002D

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S1185

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Norvir, Norvir Softgel

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HIV Protease

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Free Base

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

>  <CAS Number> (99)
155213-67-5

$$$$
Ostarine(MK-2866).cdx
csChFnd80/07171813002D

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MK-2866 (GTx-024)

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S1174

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Enobosarm, ostarine

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Androgen Receptor

>  <Form> (100)
Free Base

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

>  <CAS Number> (100)
841205-47-8

$$$$
BIBR1532.cdx
csChFnd80/07171813002D

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134

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C21H17NO3

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331.36458

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S1186

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N/A

>  <Target> (101)
Telomerase

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Free Base

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

>  <CAS Number> (101)
321674-73-1

$$$$
Anastrozole.cdx
csChFnd80/07171813002D

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136

>  <Formula> (102)
C17H19N5

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Arimidex 

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Aromatase

>  <Form> (102)
Free Base

>  <URL> (102)
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>  <CAS Number> (102)
120511-73-1

$$$$
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>  <Mol_ID> (103)
141

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CUDC-101

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S1194

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N/A

>  <Target> (103)
HDAC, EGFR, HER2

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Free Base

>  <URL> (103)
http://www.selleckchem.com/products/CUDC-101.html

>  <CAS Number> (103)
1012054-59-9

$$$$
Exemestane.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (104)
142

>  <Formula> (104)
C20H24O2

>  <MolWeight> (104)
296.40336

>  <Item Name> (104)
Exemestane

>  <Catalog Number> (104)
S1196

>  <Synonyms> (104)
Aromasin

>  <Target> (104)
Aromatase

>  <Form> (104)
Free Base

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

>  <CAS Number> (104)
107868-30-4

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (105)
145

>  <Formula> (105)
C8H12N4O4

>  <MolWeight> (105)
228.20528

>  <Item Name> (105)
Decitabine

>  <Catalog Number> (105)
S1200

>  <Synonyms> (105)
Dacogen

>  <Target> (105)
DNA/RNA Synthesis

>  <Form> (105)
Free Base

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

>  <CAS Number> (105)
2353-33-5

$$$$
Dutasteride.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (106)
146

>  <Formula> (106)
C27H30F6N2O2

>  <MolWeight> (106)
528.5297192

>  <Item Name> (106)
Dutasteride

>  <Catalog Number> (106)
S1202

>  <Synonyms> (106)
Avodart

>  <Target> (106)
5-alpha Reductase

>  <Form> (106)
Free Base

>  <URL> (106)
http://www.selleckchem.com/products/Dutasteride.html

>  <CAS Number> (106)
164656-23-9

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/07171813002D

 28 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (107)
147

>  <Formula> (107)
C16H15BrClN5O4S

>  <MolWeight> (107)
488.7434

>  <Item Name> (107)
PIK-75 

>  <Catalog Number> (107)
S1205

>  <Synonyms> (107)
N/A

>  <Target> (107)
PI3K, DNA-PK

>  <Form> (107)
Hydrochloride

>  <URL> (107)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

>  <CAS Number> (107)
372196-77-5

$$$$
AV-951.cdx
csChFnd80/07171813002D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (108)
148

>  <Formula> (108)
C22H19ClN4O5

>  <MolWeight> (108)
454.86306

>  <Item Name> (108)
Tivozanib (AV-951)

>  <Catalog Number> (108)
S1207

>  <Synonyms> (108)
N/A 

>  <Target> (108)
VEGFR, c-Kit, PDGFR

>  <Form> (108)
Free Base

>  <URL> (108)
http://www.selleckchem.com/products/AV-951.html

>  <CAS Number> (108)
475108-18-0

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (109)
149

>  <Formula> (109)
C27H30ClNO11

>  <MolWeight> (109)
579.9802

>  <Item Name> (109)
Doxorubicin (Adriamycin) HCl

>  <Catalog Number> (109)
S1208

>  <Synonyms> (109)
N/A 

>  <Target> (109)
Topoisomerase

>  <Form> (109)
Hydrochloride

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

>  <CAS Number> (109)
25316-40-9

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (110)
151

>  <Formula> (110)
C20H22N8O5

>  <MolWeight> (110)
454.43928

>  <Item Name> (110)
Abitrexate (Methotrexate)

>  <Catalog Number> (110)
S1210

>  <Synonyms> (110)
Methotrexate, Rheumatrex, Trexall

>  <Target> (110)
DHFR

>  <Form> (110)
Free Base

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

>  <CAS Number> (110)
59-05-2

$$$$
Imiquimod.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (111)
152

>  <Formula> (111)
C14H16N4

>  <MolWeight> (111)
240.30364

>  <Item Name> (111)
Imiquimod

>  <Catalog Number> (111)
S1211

>  <Synonyms> (111)
Aldara

>  <Target> (111)
Immunology & Inflammation related

>  <Form> (111)
Free Base

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

>  <CAS Number> (111)
99011-02-6

$$$$
Carboplatin.cdx
csChFnd80/07171813002D

 13 10  0  0  0  0  0  0  0  0999 V2000
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C6H12N2O4Pt

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Carboplatin

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S1215

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Paraplatin

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DNA/RNA Synthesis

>  <Form> (112)
Free Base

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

>  <CAS Number> (112)
41575-94-4

$$$$
OSI-930.cdx
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158

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OSI-930

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S1220

>  <Synonyms> (113)
N/A

>  <Target> (113)
c-Kit, VEGFR

>  <Form> (113)
Free Base

>  <URL> (113)
http://www.selleckchem.com/products/OSI-930.html

>  <CAS Number> (113)
728033-96-3

$$$$
Etoposide.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (114)
162

>  <Formula> (114)
C29H32O13

>  <MolWeight> (114)
588.55658

>  <Item Name> (114)
Etoposide (VP-16)
Etoposide

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S1225

>  <Synonyms> (114)
Vepesid 

>  <Target> (114)
Topoisomerase

>  <Form> (114)
Free Base

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

>  <CAS Number> (114)
33419-42-0

$$$$
KU-0063794.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (115)
163

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C25H31N5O4

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>  <Item Name> (115)
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>  <Synonyms> (115)
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>  <Target> (115)
mTOR 

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Free Base

>  <URL> (115)
http://www.selleckchem.com/products/KU-0063794.html

>  <CAS Number> (115)
938440-64-3

$$$$
Topotecan.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (116)
167

>  <Formula> (116)
C23H24ClN3O5

>  <MolWeight> (116)
457.90676

>  <Item Name> (116)
Topotecan HCl

>  <Catalog Number> (116)
S1231

>  <Synonyms> (116)
Hycamtin, NSC 609699

>  <Target> (116)
Topoisomerase 

>  <Form> (116)
Hydrochloride

>  <URL> (116)
http://www.selleckchem.com/products/Topotecan-Hydrochloride.html

>  <CAS Number> (116)
119413-54-6

$$$$
2-Methoxyestradiol.cdx
csChFnd80/07171813002D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (117)
168

>  <Formula> (117)
C19H26O3

>  <MolWeight> (117)
302.40794

>  <Item Name> (117)
2-Methoxyestradiol

>  <Catalog Number> (117)
S1233

>  <Synonyms> (117)
2-ME2

>  <Target> (117)
HIF

>  <Form> (117)
Free Base

>  <URL> (117)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

>  <CAS Number> (117)
362-07-2

$$$$
Letrozole.cdx
csChFnd80/07171813002D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (118)
169

>  <Formula> (118)
C17H11N5

>  <MolWeight> (118)
285.30274

>  <Item Name> (118)
Letrozole

>  <Catalog Number> (118)
S1235

>  <Synonyms> (118)
Femara, Piroxicam 

>  <Target> (118)
Aromatase 

>  <Form> (118)
Free Base

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

>  <CAS Number> (118)
112809-51-5

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/07171813002D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (119)
170

>  <Formula> (119)
C6H6N6O2

>  <MolWeight> (119)
194.15084

>  <Item Name> (119)
Temozolomide

>  <Catalog Number> (119)
S1237

>  <Synonyms> (119)
Methazolastone, Temodar, Temodal

>  <Target> (119)
DNA/RNA Synthesis

>  <Form> (119)
Free Base

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

>  <CAS Number> (119)
85622-93-1

$$$$
MP-470.cdx
csChFnd80/07171813002D

 32 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (120)
172

>  <Formula> (120)
C23H21N5O3S

>  <MolWeight> (120)
447.50954

>  <Item Name> (120)
Amuvatinib (MP-470)

>  <Catalog Number> (120)
S1244

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N/A 

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850879-09-3

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443797-96-4

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Estrogen/progestogen Receptor

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>  <Mol_ID> (125)
182

>  <Formula> (125)
C25H52NO4P

>  <MolWeight> (125)
461.658441

>  <Item Name> (125)
Perifosine (KRX-0401)

>  <Catalog Number> (125)
S1037

>  <Synonyms> (125)
NSC639966

>  <Target> (125)
Akt

>  <Form> (125)
Free Base

>  <URL> (125)
http://www.selleckchem.com/products/Perifosine.html

>  <CAS Number> (125)
157716-52-4

$$$$
Cinacalcet Hydrochloride.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (126)
183

>  <Formula> (126)
C22H23ClF3N

>  <MolWeight> (126)
393.8729296

>  <Item Name> (126)
AMG-073 HCl (Cinacalcet hydrochloride)

>  <Catalog Number> (126)
S1260

>  <Synonyms> (126)
Mimpara, Sensipar

>  <Target> (126)
CaSR

>  <Form> (126)
Hydrochloride

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

>  <CAS Number> (126)
364782-34-3

$$$$
Celecoxib.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (127)
184

>  <Formula> (127)
C17H14F3N3O2S

>  <MolWeight> (127)
381.3721696

>  <Item Name> (127)
Celecoxib

>  <Catalog Number> (127)
S1261

>  <Synonyms> (127)
Celebrex, Celebra 

>  <Target> (127)
COX

>  <Form> (127)
Free Base

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

>  <CAS Number> (127)
169590-42-5

$$$$
BMS-708163.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (128)
185

>  <Formula> (128)
C20H17ClF4N4O4S

>  <MolWeight> (128)
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>  <Item Name> (128)
BMS-708163 (Avagacestat)

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>  <Synonyms> (128)
N/A 

>  <Target> (128)
Gamma-secretase

>  <Form> (128)
Free Base

>  <URL> (128)
http://www.selleckchem.com/products/BMS-708163.html

>  <CAS Number> (128)
1146699-66-2

$$$$
PD173074.cdx
csChFnd80/07171813002D

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mTOR 

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1062169-56-5

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M  END
>  <Mol_ID> (134)
194

>  <Formula> (134)
C21H20ClNO5

>  <MolWeight> (134)
401.8402

>  <Item Name> (134)
Asenapine maleate

>  <Catalog Number> (134)
S1283

>  <Synonyms> (134)
Saphris

>  <Target> (134)
Adrenergic Receptor, 5-HT Receptor

>  <Form> (134)
Maleate

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

>  <CAS Number> (134)
65576-45-6, 135883-08-8 (Maleic acid)

$$$$
Benazepril hydrochloride.cdx
csChFnd80/07171813002D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (135)
195

>  <Formula> (135)
C24H29ClN2O5

>  <MolWeight> (135)
460.95046

>  <Item Name> (135)
Benazepril hydrochloride

>  <Catalog Number> (135)
S1284

>  <Synonyms> (135)
Lotensin

>  <Target> (135)
RAAS

>  <Form> (135)
Hydrochloride

>  <URL> (135)
http://www.selleckchem.com/products/Benazepril-hydrochloride.html

>  <CAS Number> (135)
86541-74-4

$$$$
Celastrol.cdx
csChFnd80/07171813002D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (136)
200

>  <Formula> (136)
C29H38O4

>  <MolWeight> (136)
450.60962

>  <Item Name> (136)
Celastrol

>  <Catalog Number> (136)
S1290

>  <Synonyms> (136)
N/A

>  <Target> (136)
Proteasome

>  <Form> (136)
Free Base

>  <URL> (136)
http://www.selleckchem.com/products/Celastrol.html

>  <CAS Number> (136)
34157-83-0

$$$$
CETIRIZINE DI HCL.cdx
csChFnd80/07171813002D

 29 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (137)
201

>  <Formula> (137)
C21H27Cl3N2O3

>  <MolWeight> (137)
461.80968

>  <Item Name> (137)
Cetirizine Dihydrochloride

>  <Catalog Number> (137)
S1291

>  <Synonyms> (137)
Zyrtec, Reactine

>  <Target> (137)
Histamine Receptor

>  <Form> (137)
Dihydrochloride

>  <URL> (137)
http://www.selleckchem.com/products/Cetirizine-di-hcl.html

>  <CAS Number> (137)
83881-52-1

$$$$
Cilnidipine.cdx
csChFnd80/07171813002D

 36 38  0  0  0  0  0  0  0  0999 V2000
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   10.8825    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5071    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7154    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9236    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1360    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3485    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3485    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1360    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9236    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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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
  4  8  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  7  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (138)
202

>  <Formula> (138)
C27H28N2O7

>  <MolWeight> (138)
492.52042

>  <Item Name> (138)
Cilnidipine

>  <Catalog Number> (138)
S1293

>  <Synonyms> (138)
FRC 8653 

>  <Target> (138)
Calcium Channel

>  <Form> (138)
Free Base

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

>  <CAS Number> (138)
132203-70-4

$$$$
Camptothecine.cdx
csChFnd80/07171813002D

 26 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.5832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    5.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1741    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1359    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5664    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
  2 15  2  0  0  0  0
  3 16  1  1  0  0  0
 16 17  1  0  0  0  0
  3 18  1  6  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 13  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (139)
203

>  <Formula> (139)
C20H16N2O4

>  <MolWeight> (139)
348.35204

>  <Item Name> (139)
Camptothecin

>  <Catalog Number> (139)
S1288

>  <Synonyms> (139)
N/A

>  <Target> (139)
Topoisomerase

>  <Form> (139)
Free Base

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

>  <CAS Number> (139)
7689-03-4

$$$$
Dapoxetine hydrochloride.cdx
csChFnd80/07171813002D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.8287    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2536    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165   10.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    9.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    8.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0364    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (140)
207

>  <Formula> (140)
C21H24ClNO

>  <MolWeight> (140)
341.87436

>  <Item Name> (140)
Dapoxetine hydrochloride (Priligy)

>  <Catalog Number> (140)
S1869

>  <Synonyms> (140)
Priligy, LY-210448 hydrochloride

>  <Target> (140)
5-HT Receptor

>  <Form> (140)
Hydrochloride

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

>  <CAS Number> (140)
129938-20-1

$$$$
Anagrelide hydrochloride.cdx
csChFnd80/07171813002D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    1.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  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
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 13  9  2  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (141)
208

>  <Formula> (141)
C10H8Cl3N3O

>  <MolWeight> (141)
292.54902

>  <Item Name> (141)
Anagrelide hydrochloride 

>  <Catalog Number> (141)
S3172

>  <Synonyms> (141)
N/A

>  <Target> (141)
PDE

>  <Form> (141)
Hydrochloride 

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

>  <CAS Number> (141)
58579-51-4

$$$$
Felodipine.cdx
csChFnd80/07171813002D

 25 26  0  0  0  0  0  0  0  0999 V2000
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6289    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8867    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  1 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 10 24  2  0  0  0  0
 19 25  1  0  0  0  0
M  END
>  <Mol_ID> (142)
210

>  <Formula> (142)
C18H19Cl2NO4

>  <MolWeight> (142)
384.25376

>  <Item Name> (142)
Felodipine (Plendil)

>  <Catalog Number> (142)
S1885

>  <Synonyms> (142)
Renedil, Feloday 

>  <Target> (142)
NULL

>  <Form> (142)
Free Base

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

>  <CAS Number> (142)
72509-76-3

$$$$
D-glutamine.cdx
csChFnd80/07171813002D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (143)
216

>  <Formula> (143)
C5H10N2O3

>  <MolWeight> (143)
146.1445

>  <Item Name> (143)
D-glutamine

>  <Catalog Number> (143)
S1893

>  <Synonyms> (143)
N/A

>  <Target> (143)
GluR

>  <Form> (143)
Free Base

>  <URL> (143)
http://www.selleckchem.com/products/D-glutamine.html

>  <CAS Number> (143)
5959-95-5

$$$$
Flutamide .cdx
csChFnd80/07171813002D

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    0.0042    3.5049    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (144)
226

>  <Formula> (144)
C11H11F3N2O3

>  <MolWeight> (144)
276.2118496

>  <Item Name> (144)
Flutamide (Eulexin)

>  <Catalog Number> (144)
S1908

>  <Synonyms> (144)
Flutamin, Drogenil 

>  <Target> (144)
P450

>  <Form> (144)
Free Base

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

>  <CAS Number> (144)
13311-84-7

$$$$
FLUVASTATIN SODIUM.cdx
csChFnd80/07171813002D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (145)
227

>  <Formula> (145)
C24H25FNNaO4

>  <MolWeight> (145)
433.4477732

>  <Item Name> (145)
Fluvastatin sodium (Lescol)

>  <Catalog Number> (145)
S1909

>  <Synonyms> (145)
Vastin

>  <Target> (145)
HMG-CoA Reductase

>  <Form> (145)
Sodium

>  <URL> (145)
http://www.selleckchem.com/products/Fluvastatin-Sodium(Lescol).htm

>  <CAS Number> (145)
93957-55-2

$$$$
Irsogladine.cdx
csChFnd80/07171813002D

 16 17  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> (146)
233

>  <Formula> (146)
C9H7Cl2N5

>  <MolWeight> (146)
256.09138

>  <Item Name> (146)
Irsogladine

>  <Catalog Number> (146)
S1929

>  <Synonyms> (146)
N/A

>  <Target> (146)
AChR,PDE

>  <Form> (146)
Free Base

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

>  <CAS Number> (146)
57381-26-7

$$$$
Medetomidine hcl.cdx
csChFnd80/07171813002D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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M  END
>  <Mol_ID> (147)
236

>  <Formula> (147)
C13H17ClN2

>  <MolWeight> (147)
236.74048

>  <Item Name> (147)
Medetomidine HCl

>  <Catalog Number> (147)
S3060

>  <Synonyms> (147)
N/A

>  <Target> (147)
Adrenergic Receptor

>  <Form> (147)
HCl

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

>  <CAS Number> (147)
86347-15-1

$$$$
Danofloxacin mesylate.cdx
csChFnd80/07171813002D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 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> (148)
237

>  <Formula> (148)
C20H24FN3O6S

>  <MolWeight> (148)
453.4844632

>  <Item Name> (148)
Danofloxacin Mesylate

>  <Catalog Number> (148)
S3058

>  <Synonyms> (148)
N/A

>  <Target> (148)
Antifection

>  <Form> (148)
Mesylate

>  <URL> (148)
http://www.selleckchem.com/products/danofloxacin-mesylate.html

>  <CAS Number> (148)
119478-55-6

$$$$
Cilostazol.cdx
csChFnd80/07171813002D

 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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   10.8909    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5863    5.2015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3361    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6676    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (149)
239

>  <Formula> (149)
C20H27N5O2

>  <MolWeight> (149)
369.46068

>  <Item Name> (149)
Cilostazol

>  <Catalog Number> (149)
S1294

>  <Synonyms> (149)
Pletal

>  <Target> (149)
PDE

>  <Form> (149)
Free Base

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

>  <CAS Number> (149)
73963-72-1

$$$$
Megestrol Acetate.cdx
csChFnd80/07171813002D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6019    6.0278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3019    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6970    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6043    8.4484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542    5.6654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3153    4.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3288    3.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6629    3.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  7 19  1  0  0  0  0
  5 20  1  1  0  0  0
 10 21  1  6  0  0  0
  9 22  1  1  0  0  0
 11 23  1  6  0  0  0
 12 24  1  1  0  0  0
 17 25  1  1  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 17 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (150)
245

>  <Formula> (150)
C24H32O4

>  <MolWeight> (150)
384.50848

>  <Item Name> (150)
Megestrol Acetate

>  <Catalog Number> (150)
S1304

>  <Synonyms> (150)
Megace, Megace ES

>  <Target> (150)
Androgen Receptor

>  <Form> (150)
Free Base

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

>  <CAS Number> (150)
595-33-5

$$$$
Pamidronate Disodium.cdx
csChFnd80/07171813002D

 15 12  0  0  0  0  0  0  0  0999 V2000
    3.7772    1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1772    1.5748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    2.9748    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.5647    2.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0726    0.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    3.6748    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5647    3.6748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    4.3748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2886    2.1874    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.8886    2.1874    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  2  0  0  0  0
M  END
>  <Mol_ID> (151)
247

>  <Formula> (151)
C3H9NNa2O7P2

>  <MolWeight> (151)
279.033122

>  <Item Name> (151)
Pamidronate Disodium

>  <Catalog Number> (151)
S1311

>  <Synonyms> (151)
Aredia

>  <Target> (151)
Others

>  <Form> (151)
Disodium salt

>  <URL> (151)
http://www.selleckchem.com/products/Pamidronate-Disodium.html

>  <CAS Number> (151)
57248-88-1

$$$$
Alizarin.cdx
csChFnd80/07171813002D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  2  0  0  0  0
  7 16  2  0  0  0  0
 14 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (152)
251

>  <Formula> (152)
C14H8O4

>  <MolWeight> (152)
240.21092

>  <Item Name> (152)
Alizarin

>  <Catalog Number> (152)
S2526

>  <Synonyms> (152)
Anthraquinonic

>  <Target> (152)
P450 (e.g. CYP17)

>  <Form> (152)
Free Base

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

>  <CAS Number> (152)
72-48-0

$$$$
Costunolide.cdx
csChFnd80/07171813002D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.4240    0.0000 C   0  0  0  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
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    3.6373    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    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
    1.2124    1.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1240    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
    6.0183    0.0000    0.0000 O   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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  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
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  8 15  1  1  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (153)
253

>  <Formula> (153)
C15H20O2

>  <MolWeight> (153)
232.3181

>  <Item Name> (153)
Costunolide

>  <Catalog Number> (153)
S1319

>  <Synonyms> (153)
N/A

>  <Target> (153)
Telomerase

>  <Form> (153)
Free Base

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

>  <CAS Number> (153)
553-21-9

$$$$
Dexamethasone.cdx
csChFnd80/07171813002D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (154)
254

>  <Formula> (154)
C22H29FO5

>  <MolWeight> (154)
392.4610632

>  <Item Name> (154)
Dexamethasone

>  <Catalog Number> (154)
S1322

>  <Synonyms> (154)
Decadron

>  <Target> (154)
IL Receptor

>  <Form> (154)
Free Base

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

>  <CAS Number> (154)
50-02-2

$$$$
Doxazosin mesylate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (155)
255

>  <Formula> (155)
C24H29N5O8S

>  <MolWeight> (155)
547.58076

>  <Item Name> (155)
Doxazosin mesylate

>  <Catalog Number> (155)
S1324

>  <Synonyms> (155)
Cardura, Carduran 

>  <Target> (155)
Adrenergic Receptor

>  <Form> (155)
Mesylate

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

>  <CAS Number> (155)
77883-43-3

$$$$
Ellagic acid.cdx
csChFnd80/07171813002D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (156)
256

>  <Formula> (156)
C14H6O8

>  <MolWeight> (156)
302.19264

>  <Item Name> (156)
Ellagic acid

>  <Catalog Number> (156)
S1327

>  <Synonyms> (156)
N/A

>  <Target> (156)
Topoisomerases

>  <Form> (156)
Free Base

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

>  <CAS Number> (156)
476-66-4

$$$$
Etodolac.cdx
csChFnd80/07171813002D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (157)
257

>  <Formula> (157)
C17H21NO3

>  <MolWeight> (157)
287.35354

>  <Item Name> (157)
Etodolac (Lodine)

>  <Catalog Number> (157)
S1328

>  <Synonyms> (157)
Lodine, Lodine XL

>  <Target> (157)
COX
COX

>  <Form> (157)
Free Base

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

>  <CAS Number> (157)
41340-25-4

$$$$
Etomidate.cdx
csChFnd80/07171813002D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (158)
258

>  <Formula> (158)
C14H16N2O2

>  <MolWeight> (158)
244.28904

>  <Item Name> (158)
Etomidate

>  <Catalog Number> (158)
S1329

>  <Synonyms> (158)
Amidate

>  <Target> (158)
GABA Receptor

>  <Form> (158)
Free Base

>  <URL> (158)
http://www.selleckchem.com/products/Etomidate.html

>  <CAS Number> (158)
33125-97-2

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/07171813002D

 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
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4660    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.4951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2232    2.7708    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  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 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 10  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (159)
261

>  <Formula> (159)
C17H19ClF3NO

>  <MolWeight> (159)
345.7870696

>  <Item Name> (159)
Fluoxetine  HCl

>  <Catalog Number> (159)
S1333

>  <Synonyms> (159)
Prozac, Sarafem

>  <Target> (159)
5-HT Receptor

>  <Form> (159)
Hydrochloride

>  <URL> (159)
http://www.selleckchem.com/products/Fluoxetine-hydrochloride.html

>  <CAS Number> (159)
56296-78-7

$$$$
Gabapentin hcl.cdx
csChFnd80/07171813002D

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    4.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689    4.5599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    1.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    0.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3080    2.4150    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (160)
263

>  <Formula> (160)
C9H18ClNO2

>  <MolWeight> (160)
207.69772

>  <Item Name> (160)
Gabapentin Hydrochloride

>  <Catalog Number> (160)
S1338

>  <Synonyms> (160)
Gabarone, Neurontin

>  <Target> (160)
GABA Receptor

>  <Form> (160)
Hydrochloride

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

>  <CAS Number> (160)
60142-95-2

$$$$
Galanthamine hydrobromide.cdx
csChFnd80/07171813002D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.1927    4.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    5.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    5.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3927    4.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    2.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    2.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5621    4.4562    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7085    5.8486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4295    6.4180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6947    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9737    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9874    6.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    6.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3946    6.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    1.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2621    3.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2621    1.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5450    1.3779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7634    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6984    2.2839    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  1  0  0  0
  6 17  1  0  0  0  0
  7 18  1  6  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (161)
264

>  <Formula> (161)
C17H22BrNO3

>  <MolWeight> (161)
368.26548

>  <Item Name> (161)
Galanthamine hydrobromide

>  <Catalog Number> (161)
S1339

>  <Synonyms> (161)
Reminyl

>  <Target> (161)
AChR
mAChRs

>  <Form> (161)
Hydrobromide

>  <URL> (161)
http://www.selleckchem.com/products/Galanthamine-hydrobromide.html

>  <CAS Number> (161)
1953-04-4

$$$$
Genistein.cdx
csChFnd80/07171813002D

 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
    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
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   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
   10.8993    4.8951    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
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
  5 20  1  0  0  0  0
M  END
>  <Mol_ID> (162)
266

>  <Formula> (162)
C15H10O5

>  <MolWeight> (162)
270.2369

>  <Item Name> (162)
Genistein

>  <Catalog Number> (162)
S1342

>  <Synonyms> (162)
N/A

>  <Target> (162)
Topoisomerase
EGFR

>  <Form> (162)
Free Base

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

>  <CAS Number> (162)
446-72-0

$$$$
Glimepiride.cdx
csChFnd80/07171813002D

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.5406    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7531    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9655    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7531    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1737    4.8951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3820    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5902    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7984    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5902    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0066    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.2191    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4315    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2191    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0066    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 17 12  1  0  0  0  0
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  7 19  2  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 22  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 32  1  0  0  0  0
 29 33  2  0  0  0  0
 23 34  2  0  0  0  0
M  END
>  <Mol_ID> (163)
268

>  <Formula> (163)
C24H34N4O5S

>  <MolWeight> (163)
490.61556

>  <Item Name> (163)
Glimepiride

>  <Catalog Number> (163)
S1344

>  <Synonyms> (163)
Amaryl, Glista OD

>  <Target> (163)
DPP-4

>  <Form> (163)
Free Base

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

>  <CAS Number> (163)
93479-97-1

$$$$
TG100-115.cdx
csChFnd80/07171813002D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    7.6879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (164)
270

>  <Formula> (164)
C18H14N6O2

>  <MolWeight> (164)
346.34276

>  <Item Name> (164)
TG100-115

>  <Catalog Number> (164)
S1352

>  <Synonyms> (164)
N/A

>  <Target> (164)
PI3K

>  <Form> (164)
Free Base

>  <URL> (164)
http://www.selleckchem.com/products/TG100-115.html

>  <CAS Number> (164)
677297-51-7

$$$$
Ketoconazole.cdx
csChFnd80/07171813002D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (165)
271

>  <Formula> (165)
C26H28Cl2N4O4

>  <MolWeight> (165)
531.43092

>  <Item Name> (165)
Ketoconazole

>  <Catalog Number> (165)
S1353

>  <Synonyms> (165)
Nizoral, Extina, Xolegel, Kuric

>  <Target> (165)
P450

>  <Form> (165)
Free Base

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

>  <CAS Number> (165)
65277-42-1

$$$$
Lansoprazole.cdx
csChFnd80/07171813002D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (166)
272

>  <Formula> (166)
C16H14F3N3O2S

>  <MolWeight> (166)
369.3614696

>  <Item Name> (166)
Lansoprazole

>  <Catalog Number> (166)
S1354

>  <Synonyms> (166)
Prevacid, Prevacid NapraPAC, Prevacid SoluTab

>  <Target> (166)
Proton Pump

>  <Form> (166)
Free Base

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

>  <CAS Number> (166)
103577-45-3

$$$$
Loratadine(Alavert, Claritin).cdx
csChFnd80/07171813002D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (167)
274

>  <Formula> (167)
C22H23ClN2O2

>  <MolWeight> (167)
382.88322

>  <Item Name> (167)
Loratadine

>  <Catalog Number> (167)
S1358

>  <Synonyms> (167)
Alavert, Claritin

>  <Target> (167)
Histamine Receptor

>  <Form> (167)
Free Base

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

>  <CAS Number> (167)
79794-75-5

$$$$
mgcd265.cdx
csChFnd80/07171813002D

 36 40  0  0  0  0  0  0  0  0999 V2000
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ON-01910

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PLK

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Sodium Salt

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1225497-78-8

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M  END
>  <Mol_ID> (172)
282

>  <Formula> (172)
C16H17N3O2

>  <MolWeight> (172)
283.32508

>  <Item Name> (172)
Amonafide

>  <Catalog Number> (172)
S1367

>  <Synonyms> (172)
AS1413, Xanafide, Quinamed

>  <Target> (172)
Topoisomerase

>  <Form> (172)
Free Base

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

>  <CAS Number> (172)
69408-81-7

$$$$
Dorzolamide HCL.cdx
csChFnd80/07171813002D

 20 20  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (173)
285

>  <Formula> (173)
C10H17ClN2O4S3

>  <MolWeight> (173)
360.90098

>  <Item Name> (173)
Dorzolamide HCL

>  <Catalog Number> (173)
S1375

>  <Synonyms> (173)
Trusopt, Cosopt

>  <Target> (173)
Carbonic Anhydrase

>  <Form> (173)
Hydrochloride

>  <URL> (173)
http://www.selleckchem.com/products/Dorzolamide-HCL.html

>  <CAS Number> (173)
130693-82-2

$$$$
Gestodene.cdx
csChFnd80/07171813002D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
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 10 17  1  6  0  0  0
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M  END
>  <Mol_ID> (174)
286

>  <Formula> (174)
C21H26O2

>  <MolWeight> (174)
310.42994

>  <Item Name> (174)
Gestodene

>  <Catalog Number> (174)
S1376

>  <Synonyms> (174)
N/A

>  <Target> (174)
Estrogen/progestogen Receptor

>  <Form> (174)
Free Base

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

>  <CAS Number> (174)
60282-87-3

$$$$
Drospirenone.cdx
csChFnd80/07171813002D

 34 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (175)
287

>  <Formula> (175)
C24H30O3

>  <MolWeight> (175)
366.4932

>  <Item Name> (175)
Drospirenone

>  <Catalog Number> (175)
S1377

>  <Synonyms> (175)
Angeliq

>  <Target> (175)
Estrogen/progestogen Receptor

>  <Form> (175)
Free Base

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

>  <CAS Number> (175)
67392-87-4

$$$$
Isotretinoin.cdx
csChFnd80/07171813002D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (176)
288

>  <Formula> (176)
C20H28O2

>  <MolWeight> (176)
300.43512

>  <Item Name> (176)
Isotretinoin

>  <Catalog Number> (176)
S1379

>  <Synonyms> (176)
Accutane, Amnesteem, Claravis, Sotret

>  <Target> (176)
Hydroxylase

>  <Form> (176)
Free Base

>  <URL> (176)
http://www.selleckchem.com/products/Isotretinoin.html

>  <CAS Number> (176)
4759-48-2

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/07171813002D

 46 49  0  0  0  0  0  0  0  0999 V2000
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 22 17  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
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 36 34  1  6  0  0  0
M  END
>  <Mol_ID> (177)
289

>  <Formula> (177)
C37H48N4O5

>  <MolWeight> (177)
628.80082

>  <Item Name> (177)
Lopinavir (ABT-378)

>  <Catalog Number> (177)
S1380

>  <Synonyms> (177)
ABT-378

>  <Target> (177)
HIV Protease

>  <Form> (177)
Free Base

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

>  <CAS Number> (177)
192725-17-0

$$$$
Mianserin hydrochloride.cdx
csChFnd80/07171813002D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    9.7178    2.8043    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
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 11  1  1  0  0  0  0
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 15  3  1  0  0  0  0
  5 16  1  0  0  0  0
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 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (178)
291

>  <Formula> (178)
C18H21ClN2

>  <MolWeight> (178)
300.82574

>  <Item Name> (178)
Mianserin HCl

>  <Catalog Number> (178)
S1382

>  <Synonyms> (178)
ORG GB-94 HCl

>  <Target> (178)
Histamine Receptor(HT receptor)

>  <Form> (178)
Hydrochloride

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

>  <CAS Number> (178)
21535-47-7

$$$$
Mizoribine.cdx
csChFnd80/07171813002D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.1414    3.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (179)
293

>  <Formula> (179)
C9H13N3O6

>  <MolWeight> (179)
259.21602

>  <Item Name> (179)
Mizoribine (Bredinin)

>  <Catalog Number> (179)
S1384

>  <Synonyms> (179)
HE 69

>  <Target> (179)
DNA/RNA Synthesis

>  <Form> (179)
Free Base

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

>  <CAS Number> (179)
50924-49-7

$$$$
Mosapride citrate.cdx
csChFnd80/07171813002D

 42 43  0  0  0  0  0  0  0  0999 V2000
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    3.6331    8.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    8.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.0512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.7488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    8.0512    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413   10.1439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (180)
294

>  <Formula> (180)
C27H33ClFN3O10

>  <MolWeight> (180)
614.0164232

>  <Item Name> (180)
Mosapride citrate

>  <Catalog Number> (180)
S1385

>  <Synonyms> (180)
TAK-370, AS-4370, Gasmot

>  <Target> (180)
5-HT Receptor

>  <Form> (180)
Citrate

>  <URL> (180)
http://www.selleckchem.com/products/Mosapride-citrate.html

>  <CAS Number> (180)
112885-42-4

$$$$
Nafamostat mesylate.cdx
csChFnd80/07171813002D

 36 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (181)
295

>  <Formula> (181)
C21H25N5O8S2

>  <MolWeight> (181)
539.5819

>  <Item Name> (181)
Nafamostat mesylate

>  <Catalog Number> (181)
S1386

>  <Synonyms> (181)
Futhan, FUT-175

>  <Target> (181)
Proteasome

>  <Form> (181)
Dimesylate

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

>  <CAS Number> (181)
82956-11-4

$$$$
Omeprazole.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (182)
297

>  <Formula> (182)
C17H19N3O3S

>  <MolWeight> (182)
345.41606

>  <Item Name> (182)
Omeprazole (Prilosec)

>  <Catalog Number> (182)
S1389

>  <Synonyms> (182)
Losec, Omesec, Prilosec, Zegerid

>  <Target> (182)
Proton Pump, ATPase

>  <Form> (182)
Free Base

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

>  <CAS Number> (182)
73590-58-6

$$$$
Pelitinib.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (183)
299

>  <Formula> (183)
C24H23ClFN5O2

>  <MolWeight> (183)
467.9231232

>  <Item Name> (183)
Pelitinib (EKB-569)

>  <Catalog Number> (183)
S1392

>  <Synonyms> (183)
WAY-EKB 569

>  <Target> (183)
EGFR

>  <Form> (183)
Free Base

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

>  <CAS Number> (183)
257933-82-7

$$$$
resveratrol.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (184)
301

>  <Formula> (184)
C14H12O3

>  <MolWeight> (184)
228.24328

>  <Item Name> (184)
Resveratrol

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S1396

>  <Synonyms> (184)
N/A

>  <Target> (184)
Sirtuin

>  <Form> (184)
Free Base

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

>  <CAS Number> (184)
501-36-0

$$$$
Rocuronium bromide.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (185)
302

>  <Formula> (185)
C32H53BrN2O4

>  <MolWeight> (185)
609.67822

>  <Item Name> (185)
Rocuronium bromide

>  <Catalog Number> (185)
S1397

>  <Synonyms> (185)
Zemuron, Esmeron

>  <Target> (185)
AChR

>  <Form> (185)
Bromide

>  <URL> (185)
http://www.selleckchem.com/products/Rocuronium-bromide.html

>  <CAS Number> (185)
119302-91-9

$$$$
Stavudine.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (186)
303

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C10H12N2O4

>  <MolWeight> (186)
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Stavudine (d4T)

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S1398

>  <Synonyms> (186)
BMY-27857, Sanilvudine, NSC 163661

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Reverse Transcriptase

>  <Form> (186)
Free Base

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

>  <CAS Number> (186)
3056-17-5

$$$$
Tenofovir(PMPA).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (187)
305

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C9H14N5O4P

>  <MolWeight> (187)
287.212321

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Tenofovir (Viread)

>  <Catalog Number> (187)
S1401

>  <Synonyms> (187)
Viread

>  <Target> (187)
Reverse Transcriptase

>  <Form> (187)
Free Base

>  <URL> (187)
http://www.selleckchem.com/products/Tenofovir.html

>  <CAS Number> (187)
147127-20-6

$$$$
S1130.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (188)
306

>  <Formula> (188)
C20H19BrN4O3

>  <MolWeight> (188)
443.29386

>  <Item Name> (188)
YM155 (Sepantronium Bromide)

>  <Catalog Number> (188)
S1130

>  <Synonyms> (188)
N/A

>  <Target> (188)
Survivin

>  <Form> (188)
Bromide

>  <URL> (188)
http://www.selleckchem.com/products/YM155.html

>  <CAS Number> (188)
781661-94-7

$$$$
Trilostane.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (189)
308

>  <Formula> (189)
C20H27NO3

>  <MolWeight> (189)
329.43328

>  <Item Name> (189)
Trilostane

>  <Catalog Number> (189)
S1404

>  <Synonyms> (189)
Vetoryl

>  <Target> (189)
Dehydrogenase

>  <Form> (189)
Free Base

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

>  <CAS Number> (189)
13647-35-3

$$$$
Clopidogrel bisulfate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (190)
314

>  <Formula> (190)
C16H18ClNO6S2

>  <MolWeight> (190)
419.90022

>  <Item Name> (190)
Clopidogrel (Plavix)

>  <Catalog Number> (190)
S1415

>  <Synonyms> (190)
Iscover 

>  <Target> (190)
P2 Receptor

>  <Form> (190)
Sulfate

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

>  <CAS Number> (190)
120202-66-6

$$$$
Droxinostat.cdx
csChFnd80/07171813002D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (191)
316

>  <Formula> (191)
C11H14ClNO3

>  <MolWeight> (191)
243.68676

>  <Item Name> (191)
Droxinostat

>  <Catalog Number> (191)
S1422

>  <Synonyms> (191)
N/A

>  <Target> (191)
HDAC 

>  <Form> (191)
Free Base

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

>  <CAS Number> (191)
99873-43-5

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/07171813002D

 33 33  0  0  0  0  0  0  0  0999 V2000
    4.1915    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1915    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4039    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6163    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9832    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 13  1  0  0  0  0
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 25 20  1  0  0  0  0
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M  END
>  <Mol_ID> (192)
317

>  <Formula> (192)
C24H35Cl2N3O4

>  <MolWeight> (192)
500.4584

>  <Item Name> (192)
Ranolazine dihydrochloride

>  <Catalog Number> (192)
S1425

>  <Synonyms> (192)
RS 43285-193, RS-43285, Ranexa, renolazine 

>  <Target> (192)
Calcium Channel

>  <Form> (192)
Dihydrochloride

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

>  <CAS Number> (192)
95635-56-6

$$$$
Repaglinide.cdx
csChFnd80/07171813002D

 33 35  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (193)
318

>  <Formula> (193)
C27H36N2O4

>  <MolWeight> (193)
452.58574

>  <Item Name> (193)
Repaglinide

>  <Catalog Number> (193)
S1426

>  <Synonyms> (193)
Prandin, GlucoNorm, NovoNorm

>  <Target> (193)
Potassium Channel

>  <Form> (193)
Free Base

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

>  <CAS Number> (193)
135062-02-1

$$$$
Rolipram.cdx
csChFnd80/07171813002D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 13  7  1  0  0  0  0
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 17  9  1  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (194)
320

>  <Formula> (194)
C16H21NO3

>  <MolWeight> (194)
275.34284

>  <Item Name> (194)
Rolipram

>  <Catalog Number> (194)
S1430

>  <Synonyms> (194)
N/A

>  <Target> (194)
PDE

>  <Form> (194)
Free Base

>  <URL> (194)
http://www.selleckchem.com/products/Rolipram.html

>  <CAS Number> (194)
61413-54-5

$$$$
A 922500.cdx
csChFnd80/07171813002D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1033    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7322    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8785    2.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2479    2.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9479    3.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.3012    6.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
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  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 10  1  0  0  0  0
 14 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
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 21 22  2  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
 25 23  1  1  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 25  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (195)
321

>  <Formula> (195)
C26H24N2O4

>  <MolWeight> (195)
428.47976

>  <Item Name> (195)
A 922500

>  <Catalog Number> (195)
S2674

>  <Synonyms> (195)
N/A

>  <Target> (195)
Diacylglycerol Acyltransferase 1

>  <Form> (195)
Free Base

>  <URL> (195)
http://www.selleckchem.com/products/a-922500.html

>  <CAS Number> (195)
959122-11-3

$$$$

csChFnd80/07171813002D

 28 28  0  0  0  0  0  0  0  0999 V2000
    7.6498   -7.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -8.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8665   -9.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0832   -8.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0832   -7.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4193   -9.0677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  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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  1 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 22 28  2  0  0  0  0
M  END
>  <Mol_ID> (196)
323

>  <Formula> (196)
C18H27N3O6S

>  <MolWeight> (196)
413.48848

>  <Item Name> (196)
Sumatriptan succinate

>  <Catalog Number> (196)
S1432

>  <Synonyms> (196)
Imigran, mitrex, Imitrex, Suminat, Sumitrex

>  <Target> (196)
5-HT Receptor

>  <Form> (196)
Succinate

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

>  <CAS Number> (196)
103628-48-4

$$$$
Tianeptine sodium salt.cdx
csChFnd80/07171813002D

 30 31  0  0  0  0  0  0  0  0999 V2000
    7.8404   10.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8404    9.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9349    8.4457    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2998    8.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9073   10.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2998   11.2799    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0885    7.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4846    7.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0920    8.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3034   10.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4832    9.0707    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  4  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  5  2  0  0  0  0
  7 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  2  0  0  0  0
  1 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  2  1  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 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> (197)
324

>  <Formula> (197)
C21H24ClN2NaO4S

>  <MolWeight> (197)
458.93403

>  <Item Name> (197)
Tianeptine sodium

>  <Catalog Number> (197)
S1436

>  <Synonyms> (197)
Stablon, Coaxil, Tatinol

>  <Target> (197)
5-HT Receptor

>  <Form> (197)
Sodium Salt

>  <URL> (197)
http://www.selleckchem.com/products/Tianeptine-sodium-salt.html

>  <CAS Number> (197)
30123-17-2

$$$$
Topiramate.cdx
csChFnd80/07171813002D

 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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  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> (198)
325

>  <Formula> (198)
C12H21NO8S

>  <MolWeight> (198)
339.36204

>  <Item Name> (198)
Topiramate

>  <Catalog Number> (198)
S1438

>  <Synonyms> (198)
Topamax

>  <Target> (198)
Carbonic Anhydrase

>  <Form> (198)
Free Base

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

>  <CAS Number> (198)
97240-79-4

$$$$
Varenicline tartrate.cdx
csChFnd80/07171813002D

 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
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   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
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    8.3055    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 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> (199)
327

>  <Formula> (199)
C17H19N3O6

>  <MolWeight> (199)
361.34926

>  <Item Name> (199)
Varenicline tartrate

>  <Catalog Number> (199)
S1440

>  <Synonyms> (199)
Chantix, Champix

>  <Target> (199)
AChR

>  <Form> (199)
Tartrate

>  <URL> (199)
http://www.selleckchem.com/products/Varenicline-tartrate.html

>  <CAS Number> (199)
375815-87-5

$$$$
Venlafaxine hydrochloride.cdx
csChFnd80/07171813002D

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.0115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4364    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4364    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4322    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4322    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8075    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6446    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (200)
328

>  <Formula> (200)
C17H28ClNO2

>  <MolWeight> (200)
313.86272

>  <Item Name> (200)
Venlafaxine HCl

>  <Catalog Number> (200)
S1441

>  <Synonyms> (200)
Effexor, Efexor 

>  <Target> (200)
5-HT Receptor

>  <Form> (200)
Hydrochloride

>  <URL> (200)
http://www.selleckchem.com/products/Venlafaxine-hydrochloride.html

>  <CAS Number> (200)
99300-78-4

$$$$
Voriconazole.cdx
csChFnd80/07171813002D

 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> (201)
329

>  <Formula> (201)
C16H14F3N5O

>  <MolWeight> (201)
349.3104696

>  <Item Name> (201)
Voriconazole

>  <Catalog Number> (201)
S1442

>  <Synonyms> (201)
Vfend

>  <Target> (201)
P450

>  <Form> (201)
Free Base

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

>  <CAS Number> (201)
137234-62-9

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/07171813002D

 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
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 34  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (202)
335

>  <Formula> (202)
C31H31ClFN7O2

>  <MolWeight> (202)
588.0749432

>  <Item Name> (202)
Aurora A Inhibitor I

>  <Catalog Number> (202)
S1451

>  <Synonyms> (202)
N/A

>  <Target> (202)
Aurora Kinase

>  <Form> (202)
Free Base

>  <URL> (202)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

>  <CAS Number> (202)
1158838-45-9

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/07171813002D

 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
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    4.8455    7.6806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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 18 11  1  0  0  0  0
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 13 20  1  0  0  0  0
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Kinesin

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Free Base

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

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336113-53-2

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Tipifarnib (Zarnestra)

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R115777

>  <Target> (204)
Farnesyltransferase, Ras

>  <Form> (204)
Free Base

>  <URL> (204)
http://www.selleckchem.com/products/Tipifarnib(R115777).html

>  <CAS Number> (204)
192185-72-1

$$$$
PHA-6806320.cdx
csChFnd80/07171813002D

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Aurora Kinase

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Free Base

>  <URL> (205)
http://www.selleckchem.com/products/PHA-680632.html

>  <CAS Number> (205)
398493-79-3

$$$$
SB207499.cdx
csChFnd80/07171813002D

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PDE

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Free Base

>  <URL> (206)
http://www.selleckchem.com/products/Cilomilast(SB-207499).html

>  <CAS Number> (206)
153259-65-5

$$$$
Thiazovivin.cdx
csChFnd80/07171813002D

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ROCK

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1226056-71-8

$$$$
sp600125.cdx
csChFnd80/07171813002D

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S1460

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N/A

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JNK

>  <Form> (208)
Free Base

>  <URL> (208)
http://www.selleckchem.com/products/SP600125.html

>  <CAS Number> (208)
129-56-6

$$$$
FG-4592.cdx
csChFnd80/07171813002D

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343

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C19H16N2O5

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352.34074

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Roxadustat (FG-4592)

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S1007

>  <Synonyms> (209)
N/A 

>  <Target> (209)
HIF

>  <Form> (209)
Free Base

>  <URL> (209)
http://www.selleckchem.com/products/fg-4592.html

>  <CAS Number> (209)
808118-40-3

$$$$
Moxifloxacin hydrochloride.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (210)
350

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C21H25ClFN3O4

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437.8923032

>  <Item Name> (210)
Moxifloxacin hydrochloride

>  <Catalog Number> (210)
S1465

>  <Synonyms> (210)
Avelox, Avalox

>  <Target> (210)
Topoisomerase

>  <Form> (210)
Hydrochloride

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

>  <CAS Number> (210)
186826-86-8

$$$$
TSU-68 (SU6668).cdx
csChFnd80/07171813002D

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352

>  <Formula> (211)
C18H18N2O3

>  <MolWeight> (211)
310.34712

>  <Item Name> (211)
Orantinib (TSU-68, SU6668)

>  <Catalog Number> (211)
S1470

>  <Synonyms> (211)
NSC 702827

>  <Target> (211)
VEGFR, PDGFR , FGFR 

>  <Form> (211)
Free Base

>  <URL> (211)
http://www.selleckchem.com/products/TSU-68(SU6668).html

>  <CAS Number> (211)
252916-29-3

$$$$
FCE28073.cdx
csChFnd80/07171813002D

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353

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359

>  <Formula> (217)
C32H34Cl3F2N3O2

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>  <Item Name> (217)
LY335979 (Zosuquidar trihydrochloride)

>  <Catalog Number> (217)
S1481

>  <Synonyms> (217)
RS-33295-198

>  <Target> (217)
P-gp

>  <Form> (217)
Trihydrochlorid

>  <URL> (217)
http://www.selleckchem.com/products/LY335979.html

>  <CAS Number> (217)
167465-36-3

$$$$
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>  <Mol_ID> (218)
360

>  <Formula> (218)
C40H50N8O6

>  <MolWeight> (218)
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>  <Item Name> (218)
Daclatasvir (BMS-790052)

>  <Catalog Number> (218)
S1482

>  <Synonyms> (218)
N/A

>  <Target> (218)
HCV Protease

>  <Form> (218)
Free Base

>  <URL> (218)
http://www.selleckchem.com/products/BMS-790052.html

>  <CAS Number> (218)
1009119-64-5

$$$$
MC-1568.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (219)
362

>  <Formula> (219)
C17H15FN2O3

>  <MolWeight> (219)
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>  <Item Name> (219)
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S1484

>  <Synonyms> (219)
N/A

>  <Target> (219)
HDAC 

>  <Form> (219)
Free Base

>  <URL> (219)
http://www.selleckchem.com/products/MC1568.html

>  <CAS Number> (219)
852475-26-4

$$$$
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>  <Mol_ID> (220)
363

>  <Formula> (220)
C22H20N2O5S

>  <MolWeight> (220)
424.4696

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HMN-214

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S1485

>  <Synonyms> (220)
N/A

>  <Target> (220)
PLK 

>  <Form> (220)
Free Base

>  <URL> (220)
http://www.selleckchem.com/products/HMN-214.html

>  <CAS Number> (220)
173529-46-9 

$$$$
AEE-788.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (221)
364

>  <Formula> (221)
C27H32N6

>  <MolWeight> (221)
440.58318

>  <Item Name> (221)
AEE788 (NVP-AEE788)

>  <Catalog Number> (221)
S1486

>  <Synonyms> (221)
N/A 

>  <Target> (221)
EGFR, Flt, VEGFR, HER2

>  <Form> (221)
Free Base

>  <URL> (221)
http://www.selleckchem.com/products/AEE788.html

>  <CAS Number> (221)
497839-62-0

$$$$
PHA-793887.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (222)
365

>  <Formula> (222)
C19H31N5O2

>  <MolWeight> (222)
361.48174

>  <Item Name> (222)
PHA-793887

>  <Catalog Number> (222)
S1487

>  <Synonyms> (222)
N/A

>  <Target> (222)
CDK

>  <Form> (222)
Free Base

>  <URL> (222)
http://www.selleckchem.com/products/PHA-793887.html

>  <CAS Number> (222)
718630-59-2

$$$$
Naratriptan Hydrochloride.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (223)
366

>  <Formula> (223)
C17H26ClN3O2S

>  <MolWeight> (223)
371.92524

>  <Item Name> (223)
Naratriptan HCl

>  <Catalog Number> (223)
S1488 

>  <Synonyms> (223)
Amerge, Naramig

>  <Target> (223)
5-HT Receptor

>  <Form> (223)
Hydrochloride

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

>  <CAS Number> (223)
143388-64-1

$$$$

csChFnd80/07171813002D

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M  END
>  <Mol_ID> (224)
367

>  <Formula> (224)
C14H16ClN3O4S2

>  <MolWeight> (224)
389.87754

>  <Item Name> (224)
PIK-93

>  <Catalog Number> (224)
S1489

>  <Synonyms> (224)
N/A

>  <Target> (224)
PI3K, VEGFR

>  <Form> (224)
Free Base

>  <URL> (224)
http://www.selleckchem.com/products/PIK-93.html

>  <CAS Number> (224)
593960-11-3

$$$$
AP24534.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (225)
368

>  <Formula> (225)
C29H27F3N6O

>  <MolWeight> (225)
532.5594896

>  <Item Name> (225)
Ponatinib (AP24534)

>  <Catalog Number> (225)
S1490

>  <Synonyms> (225)
N/A 

>  <Target> (225)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (225)
Free Base

>  <URL> (225)
http://www.selleckchem.com/products/AP24534.html

>  <CAS Number> (225)
943319-70-8

$$$$
LY2228820.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (226)
370

>  <Formula> (226)
C26H37FN6O6S2

>  <MolWeight> (226)
612.7369832

>  <Item Name> (226)
LY2228820

>  <Catalog Number> (226)
S1494

>  <Synonyms> (226)
N/A

>  <Target> (226)
p38 MAPK

>  <Form> (226)
Dimesylate

>  <URL> (226)
http://www.selleckchem.com/products/LY2228820.html

>  <CAS Number> (226)
862507-23-1

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (227)
373

>  <Formula> (227)
C23H31NO7

>  <MolWeight> (227)
433.49474

>  <Item Name> (227)
Mycophenolate mofetil (CellCept)

>  <Catalog Number> (227)
S1501

>  <Synonyms> (227)
CellCept, RS 61443, TM-MMF

>  <Target> (227)
Dehydrogenase

>  <Form> (227)
Free Base

>  <URL> (227)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

>  <CAS Number> (227)
128794-94-5

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (228)
374

>  <Formula> (228)
C10H14N4O4

>  <MolWeight> (228)
254.24256

>  <Item Name> (228)
Dyphylline (Dilor)

>  <Catalog Number> (228)
S1504

>  <Synonyms> (228)
Neothylline, Lufyllin, diprophylline

>  <Target> (228)
PDE

>  <Form> (228)
Free Base

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

>  <CAS Number> (228)
479-18-5

$$$$
ACEON (perindopril erbumine).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (229)
376

>  <Formula> (229)
C23H43N3O5

>  <MolWeight> (229)
441.60462

>  <Item Name> (229)
Perindopril Erbumine (Aceon)

>  <Catalog Number> (229)
S1506

>  <Synonyms> (229)
Perindopril, Coversyl

>  <Target> (229)
RAAS

>  <Form> (229)
t-Butylamine

>  <URL> (229)
http://www.selleckchem.com/products/Perindopril-Erbumine(Aceon).html

>  <CAS Number> (229)
107133-36-8

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/07171813002D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (230)
378

>  <Formula> (230)
C16H18FN3O3

>  <MolWeight> (230)
319.3308232

>  <Item Name> (230)
Norfloxacin (Norxacin)

>  <Catalog Number> (230)
S1509

>  <Synonyms> (230)
Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin 

>  <Target> (230)
Others

>  <Form> (230)
Free Base

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

>  <CAS Number> (230)
70458-96-7

$$$$
CIALIS (tadalafil).cdx
csChFnd80/07171813002D

 30 35  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (231)
379

>  <Formula> (231)
C22H19N3O4

>  <MolWeight> (231)
389.40396

>  <Item Name> (231)
Tadalafil (Cialis)

>  <Catalog Number> (231)
S1512

>  <Synonyms> (231)
IC 351

>  <Target> (231)
PDE

>  <Form> (231)
Free Base

>  <URL> (231)
http://www.selleckchem.com/products/Tadalafil(Cialis).html

>  <CAS Number> (231)
171596-29-5

$$$$
SB 939.cdx
csChFnd80/07171813002D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (232)
381

>  <Formula> (232)
C20H30N4O2

>  <MolWeight> (232)
358.4778

>  <Item Name> (232)
SB939 (Pracinostat)

>  <Catalog Number> (232)
S1515

>  <Synonyms> (232)
N/A 

>  <Target> (232)
HDAC

>  <Form> (232)
Free Base

>  <URL> (232)
http://www.selleckchem.com/products/SB939.html

>  <CAS Number> (232)
929016-96-6

$$$$
NEOPROFEN (ibuprofen lysine).cdx
csChFnd80/07171813002D

 25 24  0  0  0  0  0  0  0  0999 V2000
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COX

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57469-77-9

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mTOR

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914913-88-5

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1349796-36-6

$$$$
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955365-80-7

$$$$
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M  END
>  <Mol_ID> (245)
402

>  <Formula> (245)
C17H14O4

>  <MolWeight> (245)
282.29066

>  <Item Name> (245)
DMXAA (Vadimezan)

>  <Catalog Number> (245)
S1537

>  <Synonyms> (245)
AS-1404, 5,6-MeXAA, NSC-640488, Vadimezan 

>  <Target> (245)
VDA

>  <Form> (245)
Free Base

>  <URL> (245)
http://www.selleckchem.com/products/DMXAA(ASA404).html

>  <CAS Number> (245)
117570-53-3

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (246)
405

>  <Formula> (246)
C21H25ClO6

>  <MolWeight> (246)
408.8726

>  <Item Name> (246)
Dapagliflozin

>  <Catalog Number> (246)
S1548

>  <Synonyms> (246)
BMS-512148

>  <Target> (246)
SGLT 

>  <Form> (246)
Free Base

>  <URL> (246)
http://www.selleckchem.com/products/Dapagliflozin.html

>  <CAS Number> (246)
461432-26-8

$$$$
Pimobendan.cdx
csChFnd80/07171813002D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (247)
406

>  <Formula> (247)
C19H18N4O2

>  <MolWeight> (247)
334.37182

>  <Item Name> (247)
Pimobendan (Vetmedin)

>  <Catalog Number> (247)
S1550

>  <Synonyms> (247)
Acardi, pimobendane

>  <Target> (247)
PDE

>  <Form> (247)
Free Base

>  <URL> (247)
http://www.selleckchem.com/products/Pimobendan(Vetmedin).html

>  <CAS Number> (247)
74150-27-9

$$$$
Clarithromycin.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (248)
409

>  <Formula> (248)
C38H69NO13

>  <MolWeight> (248)
747.95336

>  <Item Name> (248)
Clarithromycin (Biaxin, Klacid)

>  <Catalog Number> (248)
S2555

>  <Synonyms> (248)
Crixan, Klaricid, Klabax, Claripen, Clarem, Claridar, Fromilid, Clacid, Clacee, Vikrol, Infex, Clari 

>  <Target> (248)
P450

>  <Form> (248)
Free Base

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

>  <CAS Number> (248)
81103-11-9

$$$$
AZD 8055.cdx
csChFnd80/07171813002D

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Amikacin hydrate

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S3122

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N/A 

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Antifection

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Hydrate

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

>  <CAS Number> (253)
1257517-67-1

$$$$
KRN633.cdx
csChFnd80/07171813002D

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S1557

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N/A 

>  <Target> (254)
VEGFR, PDGFR

>  <Form> (254)
Free Base

>  <URL> (254)
http://www.selleckchem.com/products/KRN-633.html

>  <CAS Number> (254)
286370-15-8

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AT7867.cdx
csChFnd80/07171813002D

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N/A

>  <Target> (255)
Akt, S6 kinase

>  <Form> (255)
Free Base

>  <URL> (255)
http://www.selleckchem.com/products/AT7867.html

>  <CAS Number> (255)
857531-00-1

$$$$
BMS777607.cdx
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>  <Target> (256)
c-Met

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Free Base

>  <URL> (256)
http://www.selleckchem.com/products/BMS-777607.html

>  <CAS Number> (256)
1025720-94-8

$$$$
VX-809.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (261)
425

>  <Formula> (261)
C22H33ClN6

>  <MolWeight> (261)
416.99062

>  <Item Name> (261)
BS-181 HCl

>  <Catalog Number> (261)
S1572

>  <Synonyms> (261)
N/A

>  <Target> (261)
CDK 

>  <Form> (261)
Hydrochloride

>  <URL> (261)
http://www.selleckchem.com/products/BS-181.html

>  <CAS Number> (261)
1397219-81-6

$$$$
Fasudil HCl.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (262)
426

>  <Formula> (262)
C14H18ClN3O2S

>  <MolWeight> (262)
327.82962

>  <Item Name> (262)
Fasudil HCl (HA-1077)

>  <Catalog Number> (262)
S1573

>  <Synonyms> (262)
AT-877 

>  <Target> (262)
ROCK

>  <Form> (262)
Hydrochloride

>  <URL> (262)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

>  <CAS Number> (262)
105628-07-7

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (263)
427

>  <Formula> (263)
C31H37N5O3

>  <MolWeight> (263)
527.65718

>  <Item Name> (263)
BIRB 796 (Doramapimod)

>  <Catalog Number> (263)
S1574

>  <Synonyms> (263)
N/A

>  <Target> (263)
p38 MAPK

>  <Form> (263)
Free Base

>  <URL> (263)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

>  <CAS Number> (263)
285983-48-4

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/07171813002D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (264)
429

>  <Formula> (264)
C26H21N3O2S

>  <MolWeight> (264)
439.52884

>  <Item Name> (264)
Tie2 kinase inhibitor

>  <Catalog Number> (264)
S1577

>  <Synonyms> (264)
N/A

>  <Target> (264)
Tie-2

>  <Form> (264)
Free Base

>  <URL> (264)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

>  <CAS Number> (264)
948557-43-5

$$$$
Altrenogest.cdx
csChFnd80/07171813002D

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431

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C21H26O2

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310.42994

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Altrenogest

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S3167

>  <Synonyms> (265)
N/A 

>  <Target> (265)
Estrogen/progestogen Receptor

>  <Form> (265)
Free Base

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

>  <CAS Number> (265)
850-52-2

$$$$
Apixaban.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (266)
435

>  <Formula> (266)
C25H25N5O4

>  <MolWeight> (266)
459.4971

>  <Item Name> (266)
Apixaban

>  <Catalog Number> (266)
S1593

>  <Synonyms> (266)
N/A

>  <Target> (266)
Factor Xa 

>  <Form> (266)
Free Base

>  <URL> (266)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

>  <CAS Number> (266)
503612-47-3

$$$$
Semagacestat.cdx
csChFnd80/07171813002D

 26 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (267)
436

>  <Formula> (267)
C19H27N3O4

>  <MolWeight> (267)
361.43538

>  <Item Name> (267)
Semagacestat (LY450139)

>  <Catalog Number> (267)
S1594

>  <Synonyms> (267)
LY-450139, LY450139

>  <Target> (267)
Gamma-secretase

>  <Form> (267)
Free Base

>  <URL> (267)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

>  <CAS Number> (267)
425386-60-3

$$$$

csChFnd80/07171813002D

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>  <Mol_ID> (268)
439

>  <Formula> (268)
C27H30Cl2F2N6O

>  <MolWeight> (268)
563.4695064

>  <Item Name> (268)
NVP-BSK805 2HCl

>  <Catalog Number> (268)
S2686 

>  <Synonyms> (268)
N/A

>  <Target> (268)
JAK

>  <Form> (268)
HCl

>  <URL> (268)
http://www.selleckchem.com/products/nvp-bsk805.html

>  <CAS Number> (268)
1092499-93-8 (free base)

$$$$
MESTINON (pyridostigmine bromide).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (269)
444

>  <Formula> (269)
C9H13BrN2O2

>  <MolWeight> (269)
261.11572

>  <Item Name> (269)
Pyridostigmine Bromide (Mestinon)

>  <Catalog Number> (269)
S1608

>  <Synonyms> (269)
N/A

>  <Target> (269)
AChR

>  <Form> (269)
Bromide

>  <URL> (269)
http://www.selleckchem.com/products/Pyridostigmine-Bromide(Mestinon).html

>  <CAS Number> (269)
101-26-8

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/07171813002D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.5495    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3908    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0908    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6033    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6908    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (270)
448

>  <Formula> (270)
C8H5F3N2OS

>  <MolWeight> (270)
234.1983096

>  <Item Name> (270)
Riluzole (Rilutek)

>  <Catalog Number> (270)
S1614

>  <Synonyms> (270)
PK-26124, RP-54274, Rilutek

>  <Target> (270)
Sodium Channel

>  <Form> (270)
Free Base

>  <URL> (270)
http://www.selleckchem.com/products/Riluzole(Rilutek).html

>  <CAS Number> (270)
1744-22-5

$$$$
RISPERIDONE (risperidone).cdx
csChFnd80/07171813002D

 30 34  0  0  0  0  0  0  0  0999 V2000
   12.6402    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6402    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0651    4.4785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0651    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    6.5785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2775    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4900    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4900    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2775    6.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4320    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4320    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2238    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0155    3.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8031    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5907    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5907    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8031    1.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0155    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3824    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1035    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2361    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6708    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014    3.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3647    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1251    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  2  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (271)
449

>  <Formula> (271)
C23H27FN4O2

>  <MolWeight> (271)
410.4844832

>  <Item Name> (271)
Risperidone (Risperdal)

>  <Catalog Number> (271)
S1615

>  <Synonyms> (271)
R 64 766, Risperdal

>  <Target> (271)
5-HT Receptor

>  <Form> (271)
Free Base

>  <URL> (271)
http://www.selleckchem.com/products/Risperidone(Risperdal).html

>  <CAS Number> (271)
106266-06-2

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/07171813002D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    3.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (272)
454

>  <Formula> (272)
C5H9NO3S

>  <MolWeight> (272)
163.19486

>  <Item Name> (272)
Acetylcysteine

>  <Catalog Number> (272)
S1623

>  <Synonyms> (272)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (272)
AChR

>  <Form> (272)
Free Base

>  <URL> (272)
http://www.selleckchem.com/products/Acetylcysteine.html

>  <CAS Number> (272)
616-91-1

$$$$
ALENDRONATE SODIUM (alendronate sodium).cdx
csChFnd80/07171813002D

 18 13  0  0  0  0  0  0  0  0999 V2000
    2.8316    3.0899    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0440    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2565    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4647    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6729    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8811    2.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8215    4.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192    3.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8416    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.4064    1.0377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0641    0.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0340    3.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5833   26.2775    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    8.0686   12.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686   12.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3686   11.1658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (273)
455

>  <Formula> (273)
C4H19NNaO10P2

>  <MolWeight> (273)
326.131652

>  <Item Name> (273)
Alendronate sodium trihydrate

>  <Catalog Number> (273)
S1624

>  <Synonyms> (273)
N/A

>  <Target> (273)
Others

>  <Form> (273)
Sodium Salt

>  <URL> (273)
http://www.selleckchem.com/products/Alendronate-Sodium(Fosamax).html

>  <CAS Number> (273)
121268-17-5

$$$$
Naproxen sodium.cdx
csChFnd80/07171813002D

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1033    2.0976    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 13 18  1  6  0  0  0
M  END
>  <Mol_ID> (274)
457

>  <Formula> (274)
C14H13NaO3

>  <MolWeight> (274)
252.24099

>  <Item Name> (274)
Naproxen Sodium

>  <Catalog Number> (274)
S1626

>  <Synonyms> (274)
Anaprox, Naprelan 

>  <Target> (274)
COX

>  <Form> (274)
Sodium Salt

>  <URL> (274)
http://www.selleckchem.com/products/Naproxen-Sodium(Aleve).html

>  <CAS Number> (274)
26159-34-2

$$$$
Oxacillin sodium monohydrate.cdx
csChFnd80/07171813002D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.7353    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8679    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4353    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    4.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    5.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    5.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1948    0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2553    3.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6428    3.1372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6879    4.5576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    4.2659    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8629    4.2659    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8629    5.6659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    5.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    3.8333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0172    4.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    6.0986    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4763    6.6524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2297    5.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2297    4.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6255    7.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6446    2.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    8.4622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9901    7.7155    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.1396    7.6708    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.1784    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 14  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 16  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  1  0  0  0
 17 27  1  1  0  0  0
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C19H20N3NaO6S

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Oxacillin sodium monohydrate

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S2563

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N/A

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Antifection

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Sodium Salt & hydrate

>  <URL> (275)
http://www.selleckchem.com/products/Oxacillin-sodium-monohydrate.html

>  <CAS Number> (275)
7240-38-2

$$$$
ACHES-N-PAIN (ibuprofen).cdx
csChFnd80/07171813002D

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Ibuprofen (Advil)

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Brufen, Nurofen, Motrin 

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COX

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Free Base

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http://www.selleckchem.com/products/Ibuprofen(Advil).html

>  <CAS Number> (276)
15687-27-1

$$$$
ALDOMET (methyldopa).cdx
csChFnd80/07171813002D

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Methyldopa (Aldomet)

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S1642

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Aldoril 

>  <Target> (277)
Others

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Free Base

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

>  <CAS Number> (277)
555-30-6

$$$$
ACTRON (ketoprofen).cdx
csChFnd80/07171813002D

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Orudis, Oruvail 

>  <Target> (278)
COX

>  <Form> (278)
Free Base

>  <URL> (278)
http://www.selleckchem.com/products/Ketoprofen(Actron).html

>  <CAS Number> (278)
22071-15-4

$$$$
AT101.cdx
csChFnd80/07171813002D

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>  <CAS Number> (279)
866541-93-7

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/07171813002D

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147-94-4

$$$$
ZOMIG (zolmitriptan).cdx
csChFnd80/07171813002D

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    4.8115    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3243    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    0.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7749    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  2  0  0  0  0
  9  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  2 15  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 16  1  0  0  0  0
 18 21  2  0  0  0  0
 16 15  1  1  0  0  0
M  END
>  <Mol_ID> (281)
478

>  <Formula> (281)
C16H21N3O2

>  <MolWeight> (281)
287.35684

>  <Item Name> (281)
Zolmitriptan (Zomig)

>  <Catalog Number> (281)
S1649

>  <Synonyms> (281)
Zomig, Zomigon, AscoTopand, Zomigoro 

>  <Target> (281)
5-HT Receptor

>  <Form> (281)
Free Base

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

>  <CAS Number> (281)
139264-17-8

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/07171813002D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4165    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    5.5563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    6.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    7.8215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 22 27  2  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (282)
485

>  <Formula> (282)
C19H21N3O5

>  <MolWeight> (282)
371.38714

>  <Item Name> (282)
Isradipine (Dynacirc)

>  <Catalog Number> (282)
S1662

>  <Synonyms> (282)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin 

>  <Target> (282)
Calcium Channel

>  <Form> (282)
Free Base

>  <URL> (282)
http://www.selleckchem.com/products/Isradipine(Dynacirc).html

>  <CAS Number> (282)
75695-93-1

$$$$
ESTROGENIC SUBSTANCE (estrone).cdx
csChFnd80/07171813002D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (283)
486

>  <Formula> (283)
C18H22O2

>  <MolWeight> (283)
270.36608

>  <Item Name> (283)
Estrone

>  <Catalog Number> (283)
S1665

>  <Synonyms> (283)
Oestrone

>  <Target> (283)
Estrogen/progestogen Receptor

>  <Form> (283)
Free Base

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

>  <CAS Number> (283)
53-16-7 

$$$$
Pregnenolone.cdx
csChFnd80/07171813002D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  1  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
M  END
>  <Mol_ID> (284)
490

>  <Formula> (284)
C21H32O2

>  <MolWeight> (284)
316.47758

>  <Item Name> (284)
Pregnenolone

>  <Catalog Number> (284)
S1914

>  <Synonyms> (284)
N/A

>  <Target> (284)
Estrogen/progestogen Receptor

>  <Form> (284)
Free Base

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

>  <CAS Number> (284)
145-13-1

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/07171813002D

 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> (285)
503

>  <Formula> (285)
C15H12N2O

>  <MolWeight> (285)
236.26858

>  <Item Name> (285)
Carbamazepine (Carbatrol)

>  <Catalog Number> (285)
S1693

>  <Synonyms> (285)
Equetro, Tegretol, Biston 

>  <Target> (285)
Autophagy,Sodium Channel

>  <Form> (285)
Free Base

>  <URL> (285)
http://www.selleckchem.com/products/Carbamazepine(Carbatrol).html

>  <CAS Number> (285)
298-46-4

$$$$
DEMADEX (torsemide).cdx
csChFnd80/07171813002D

 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
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 15 23  2  0  0  0  0
 15 24  2  0  0  0  0
M  END
>  <Mol_ID> (286)
505

>  <Formula> (286)
C16H20N4O3S

>  <MolWeight> (286)
348.42

>  <Item Name> (286)
Torsemide (Demadex)

>  <Catalog Number> (286)
S1698

>  <Synonyms> (286)
Demadex

>  <Target> (286)
Others

>  <Form> (286)
Free Base

>  <URL> (286)
http://www.selleckchem.com/products/Torsemide(Demadex).html

>  <CAS Number> (286)
56211-40-6

$$$$
DIDANOSINE (didanosine).cdx
csChFnd80/07171813002D

 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> (287)
507

>  <Formula> (287)
C10H12N4O3

>  <MolWeight> (287)
236.22728

>  <Item Name> (287)
Didanosine (Videx)

>  <Catalog Number> (287)
S1702

>  <Synonyms> (287)
Videx EC 

>  <Target> (287)
NULL

>  <Form> (287)
Free Base

>  <URL> (287)
http://www.selleckchem.com/products/Didanosine(Videx).html

>  <CAS Number> (287)
69655-05-6

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/07171813002D

 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> (288)
508

>  <Formula> (288)
C16H31NaO4

>  <MolWeight> (288)
310.40471

>  <Item Name> (288)
Divalproex sodium

>  <Catalog Number> (288)
S1703

>  <Synonyms> (288)
Depakote, Epival

>  <Target> (288)
HDAC

>  <Form> (288)
Sodium Salt

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

>  <CAS Number> (288)
76584-70-8

$$$$
EPIVIR (lamivudine).cdx
csChFnd80/07171813002D

 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
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 11 14  1  6  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (289)
510

>  <Formula> (289)
C8H11N3O3S

>  <MolWeight> (289)
229.25624

>  <Item Name> (289)
Lamivudine (Epivir)

>  <Catalog Number> (289)
S1706

>  <Synonyms> (289)
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV 

>  <Target> (289)
Reverse Transcriptase

>  <Form> (289)
Free Base

>  <URL> (289)
http://www.selleckchem.com/products/Lamivudine(Epivir).html

>  <CAS Number> (289)
134678-17-4

$$$$
DCC-2036.cdx
csChFnd80/07171813002D

 41 45  0  0  0  0  0  0  0  0999 V2000
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    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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   19.1945    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9421    7.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195    8.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    7.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    6.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914    9.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003   10.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   10.2127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 13  8  1  0  0  0  0
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  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
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 27 23  2  0  0  0  0
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 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
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 32 33  2  0  0  0  0
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M  END
>  <Mol_ID> (290)
515

>  <Formula> (290)
C30H28FN7O3

>  <MolWeight> (290)
553.5868232

>  <Item Name> (290)
DCC-2036 (Rebastinib)

>  <Catalog Number> (290)
S2634

>  <Synonyms> (290)
N/A 

>  <Target> (290)
Bcr-Abl

>  <Form> (290)
Free Base

>  <URL> (290)
http://www.selleckchem.com/products/dcc-2036.html

>  <CAS Number> (290)
1020172-07-9

$$$$
FELDENE (piroxicam).cdx
csChFnd80/07171813002D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (291)
516

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C15H13N3O4S

>  <MolWeight> (291)
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>  <Item Name> (291)
Piroxicam (Feldene)

>  <Catalog Number> (291)
S1713

>  <Synonyms> (291)
Roxam

>  <Target> (291)
COX 

>  <Form> (291)
Free Base

>  <URL> (291)
http://www.selleckchem.com/products/Piroxicam(Feldene).html

>  <CAS Number> (291)
36322-90-4

$$$$
HEPSERA (adefovir dipivoxil).cdx
csChFnd80/07171813002D

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519

>  <Formula> (292)
C20H32N5O8P

>  <MolWeight> (292)
501.470541

>  <Item Name> (292)
Adefovir Dipivoxil (Preveon, Hepsera)

>  <Catalog Number> (292)
S1718

>  <Synonyms> (292)
Bis-POM PMEA, Preveon, Hepsera 

>  <Target> (292)
Reverse Transcriptase

>  <Form> (292)
Free Base

>  <URL> (292)
http://www.selleckchem.com/products/Adefovir-Dipivoxil(Preveon).html

>  <CAS Number> (292)
142340-99-6

$$$$
HIVID (zalcitabine).cdx
csChFnd80/07171813002D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (293)
520

>  <Formula> (293)
C9H13N3O3

>  <MolWeight> (293)
211.21782

>  <Item Name> (293)
Zalcitabine

>  <Catalog Number> (293)
S1719

>  <Synonyms> (293)
Hivid, Dideoxycytidine 

>  <Target> (293)
Reverse Transcriptase

>  <Form> (293)
Free Base

>  <URL> (293)
http://www.selleckchem.com/products/Zalcitabine.html

>  <CAS Number> (293)
7481-89-2

$$$$
NEVIRAPINE (nevirapine).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (294)
534

>  <Formula> (294)
C15H14N4O

>  <MolWeight> (294)
266.29786

>  <Item Name> (294)
Nevirapine (Viramune)

>  <Catalog Number> (294)
S1742

>  <Synonyms> (294)
Viramune, BI-RG 587

>  <Target> (294)
Reverse Transcriptase

>  <Form> (294)
Free Base

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

>  <CAS Number> (294)
129618-40-2

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (295)
535

>  <Formula> (295)
C21H26N2O7

>  <MolWeight> (295)
418.44034

>  <Item Name> (295)
Nimodipine (Nimotop)

>  <Catalog Number> (295)
S1747

>  <Synonyms> (295)
Nimotop

>  <Target> (295)
Autophagy,Calcium Channel

>  <Form> (295)
Free Base

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

>  <CAS Number> (295)
66085-59-4

$$$$
QUETIAPINE FUMARATE (quetiapine fumarate).cdx
csChFnd80/07171813002D

 62 67  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (296)
539

>  <Formula> (296)
C46H54N6O8S2

>  <MolWeight> (296)
883.08636

>  <Item Name> (296)
Quetiapine fumarate (Seroquel)

>  <Catalog Number> (296)
S1763

>  <Synonyms> (296)
ICI-204636, ZD 5077, ZM 204636, Seroquel XR 

>  <Target> (296)
Dopamine Receptor

>  <Form> (296)
Fumarate

>  <URL> (296)
http://www.selleckchem.com/products/Quetiapine-fumarate(Seroquel).html

>  <CAS Number> (296)
111974-72-2

$$$$
TARACTAN (chlorprothixene).cdx
csChFnd80/07171813002D

 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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    3.6373    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.3879    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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M  END
>  <Mol_ID> (297)
543

>  <Formula> (297)
C18H18ClNS

>  <MolWeight> (297)
315.86022

>  <Item Name> (297)
Chlorprothixene

>  <Catalog Number> (297)
S1771

>  <Synonyms> (297)
Cloxan, Taractan, Truxal

>  <Target> (297)
Dopamine Receptor

>  <Form> (297)
Free Base

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

>  <CAS Number> (297)
113-59-7

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/07171813002D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (298)
545

>  <Formula> (298)
C5H5N5S

>  <MolWeight> (298)
167.1917

>  <Item Name> (298)
Thioguanine

>  <Catalog Number> (298)
S1774

>  <Synonyms> (298)
6-Thioguanine

>  <Target> (298)
Others

>  <Form> (298)
Free Base

>  <URL> (298)
http://www.selleckchem.com/products/Thioguanine.html

>  <CAS Number> (298)
154-42-7

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/07171813002D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
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 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (299)
549

>  <Formula> (299)
C8H12N4O5

>  <MolWeight> (299)
244.20468

>  <Item Name> (299)
Azacitidine (Vidaza)

>  <Catalog Number> (299)
S1782

>  <Synonyms> (299)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (299)
DNA/RNA Synthesis

>  <Form> (299)
Free Base

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

>  <CAS Number> (299)
320-67-2

$$$$
ALTACE (ramipril).cdx
csChFnd80/07171813002D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.4122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2536    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9490    6.8597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.0532    2.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2391    8.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5659    8.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (300)
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>  <Formula> (300)
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>  <MolWeight> (300)
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>  <Item Name> (300)
Ramipril (Altace)

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S1793

>  <Synonyms> (300)
Tritace

>  <Target> (300)
RAAS

>  <Form> (300)
Free Base

>  <URL> (300)
http://www.selleckchem.com/products/Ramipril(Altace).html

>  <CAS Number> (300)
87333-19-5

$$$$
Baricitinib.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (301)
562

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C16H17N7O2S

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>  <Item Name> (301)
Baricitinib (LY3009104)

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S2851

>  <Synonyms> (301)
INCB 28050

>  <Target> (301)
JAK

>  <Form> (301)
Free Base

>  <URL> (301)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

>  <CAS Number> (301)
1187594-09-7

$$$$
Deferiprone.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (302)
565

>  <Formula> (302)
C7H9NO2

>  <MolWeight> (302)
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Deferiprone

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S4067

>  <Synonyms> (302)
N/A

>  <Target> (302)
Others

>  <Form> (302)
Free Base

>  <URL> (302)
http://www.selleckchem.com/products/deferiprone.html

>  <CAS Number> (302)
30652-11-0

$$$$
cimetidine.cdx
csChFnd80/07171813002D

 17 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (303)
569

>  <Formula> (303)
C10H16N6S

>  <MolWeight> (303)
252.33924

>  <Item Name> (303)
Cimetidine (Tagamet)

>  <Catalog Number> (303)
S1845

>  <Synonyms> (303)
Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil 

>  <Target> (303)
NULL

>  <Form> (303)
Free Base

>  <URL> (303)
http://www.selleckchem.com/products/Cimetidine(Tagamet).html

>  <CAS Number> (303)
51481-61-9

$$$$
Levamisole Hydrochloride.cdx
csChFnd80/07171813002D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (304)
576

>  <Formula> (304)
C11H13ClN2S

>  <MolWeight> (304)
240.75232

>  <Item Name> (304)
(-)-Tetramisole 

>  <Catalog Number> (304)
S1939

>  <Synonyms> (304)
Ergamisol

>  <Target> (304)
Immunology & Inflammation related

>  <Form> (304)
Hydrochloride

>  <URL> (304)
http://www.selleckchem.com/products/Levamisole-Hydrochloride(Ergamisol).html

>  <CAS Number> (304)
16595-80-5 

$$$$
LEXXEL (enalapril maleate).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (305)
578

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C24H32N2O9

>  <MolWeight> (305)
492.51888

>  <Item Name> (305)
Enalapril maleate (Vasotec)

>  <Catalog Number> (305)
S1941

>  <Synonyms> (305)
Glioten, Renitec 

>  <Target> (305)
Opioid Receptor

>  <Form> (305)
Maleate

>  <URL> (305)
http://www.selleckchem.com/products/Enalapril-maleate(Vasotec).html

>  <CAS Number> (305)
76095-16-4

$$$$
Metformin hydrochloride.cdx
csChFnd80/07171813002D

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580

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C4H12ClN5

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165.62458

>  <Item Name> (306)
Metformin hydrochloride (Glucophage)

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S1950

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Glucophage, Riomet, Diabex

>  <Target> (306)
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Hydrochloride

>  <URL> (306)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

>  <CAS Number> (306)
1115-70-4

$$$$
Nefiracetam.cdx
csChFnd80/07171813002D

 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> (307)
584

>  <Formula> (307)
C14H18N2O2

>  <MolWeight> (307)
246.30492

>  <Item Name> (307)
Nefiracetam (Translon)

>  <Catalog Number> (307)
S1969

>  <Synonyms> (307)
DM 9384, Translon, DZL-221

>  <Target> (307)
GABA Receptor

>  <Form> (307)
Free Base

>  <URL> (307)
http://www.selleckchem.com/products/Nefiracetam(Translon).html

>  <CAS Number> (307)
77191-36-7

$$$$
Nicorandil.cdx
csChFnd80/07171813002D

 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> (308)
585

>  <Formula> (308)
C8H9N3O4

>  <MolWeight> (308)
211.17476

>  <Item Name> (308)
Nicorandil (Ikorel)

>  <Catalog Number> (308)
S1971

>  <Synonyms> (308)
SG-75

>  <Target> (308)
Potassium Channel

>  <Form> (308)
Free Base

>  <URL> (308)
http://www.selleckchem.com/products/Nicorandil(Ikorel).html

>  <CAS Number> (308)
65141-46-0

$$$$
PAMINE (methscopolamine bromide).cdx
csChFnd80/07171813002D

 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> (309)
588

>  <Formula> (309)
C18H24BrNO4

>  <MolWeight> (309)
398.29146

>  <Item Name> (309)
Methscopolamine (Pamine)

>  <Catalog Number> (309)
S1978

>  <Synonyms> (309)
N/A 

>  <Target> (309)
AChR

>  <Form> (309)
quaternary-N bromide salt

>  <URL> (309)
http://www.selleckchem.com/products/Methscopolamine-bromide(Pamine).html

>  <CAS Number> (309)
155-41-9

$$$$
SEROMYCIN (cycloserine).cdx
csChFnd80/07171813002D

  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> (310)
590

>  <Formula> (310)
C3H6N2O2

>  <MolWeight> (310)
102.09194

>  <Item Name> (310)
D-Cycloserine

>  <Catalog Number> (310)
S1998

>  <Synonyms> (310)
Seromycin

>  <Target> (310)
Antifection

>  <Form> (310)
Free Base

>  <URL> (310)
http://www.selleckchem.com/products/D-Cycloserine.html

>  <CAS Number> (310)
68-41-7

$$$$
Sodium butyrate.cdx
csChFnd80/07171813002D

  7  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (311)
591

>  <Formula> (311)
C4H7NaO2

>  <MolWeight> (311)
110.08695

>  <Item Name> (311)
Sodium butyrate

>  <Catalog Number> (311)
S1999

>  <Synonyms> (311)
Butyric acid sodium salt

>  <Target> (311)
HDAC

>  <Form> (311)
Sodium Salt

>  <URL> (311)
http://www.selleckchem.com/products/Sodium-butyrate.html

>  <CAS Number> (311)
156-54-7

$$$$
Sodium orthovanadate.cdx
csChFnd80/07171813002D

  8  4  0  0  0  0  0  0  0  0999 V2000
    0.7000    2.0951    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1000    2.0951    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.0951    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1000    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.7000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4780    1.1175    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.0780    1.1175    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.7780   -0.2825    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (312)
592

>  <Formula> (312)
Na3O4V

>  <MolWeight> (312)
183.90841

>  <Item Name> (312)
Sodium orthovanadate

>  <Catalog Number> (312)
S2000

>  <Synonyms> (312)
N/A

>  <Target> (312)
ATPase

>  <Form> (312)
Sodium Salt

>  <URL> (312)
http://www.selleckchem.com/products/Sodium-orthovanadate.html

>  <CAS Number> (312)
13721-39-6

$$$$
untitled.cdx
csChFnd80/07171813002D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.2788    9.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    8.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    7.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    8.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    9.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955   10.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246   10.5152    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    7.7104    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    6.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    3.5030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6352    2.1031    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8466    1.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445    0.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7079    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
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 19  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  1  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 20 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (313)
593

>  <Formula> (313)
C23H23ClFNO5

>  <MolWeight> (313)
447.8838232

>  <Item Name> (313)
Elvitegravir (GS-9137)

>  <Catalog Number> (313)
S2001

>  <Synonyms> (313)
N/A 

>  <Target> (313)
Integrase 

>  <Form> (313)
Free Base

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

>  <CAS Number> (313)
697761-98-1

$$$$
Raltegravir.cdx
csChFnd80/07171813002D

 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
    8.4446    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6570    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8694    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8694    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6570    4.1927    0.0000 C   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
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    7.2363    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1356    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1356    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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 10 12  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
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  4 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
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 28 29  2  0  0  0  0
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 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (314)
596

>  <Formula> (314)
C20H21FN6O5

>  <MolWeight> (314)
444.4163432

>  <Item Name> (314)
Raltegravir (MK-0518)

>  <Catalog Number> (314)
S2005

>  <Synonyms> (314)
Isentress 

>  <Target> (314)
Integrase

>  <Form> (314)
Free Base

>  <URL> (314)
http://www.selleckchem.com/products/Raltegravir-(MK-0518).html

>  <CAS Number> (314)
518048-05-0

$$$$
pyrimethamine.cdx
csChFnd80/07171813002D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8951    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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (315)
597

>  <Formula> (315)
C12H13ClN4

>  <MolWeight> (315)
248.71142

>  <Item Name> (315)
Pyrimethamine

>  <Catalog Number> (315)
S2006

>  <Synonyms> (315)
Daraprim

>  <Target> (315)
NULL

>  <Form> (315)
Free Base

>  <URL> (315)
http://www.selleckchem.com/products/Pyrimethamine.html

>  <CAS Number> (315)
58-14-0

$$$$
Taurine.cdx
csChFnd80/07171813002D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (316)
599

>  <Formula> (316)
C2H7NO3S

>  <MolWeight> (316)
125.14688

>  <Item Name> (316)
Taurine

>  <Catalog Number> (316)
S2008

>  <Synonyms> (316)
2-Aminoethanesulfonic acid

>  <Target> (316)
Others

>  <Form> (316)
Free Base

>  <URL> (316)
http://www.selleckchem.com/products/Taurine.html

>  <CAS Number> (316)
107-35-7

$$$$
Synephrine.cdx
csChFnd80/07171813002D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (317)
606

>  <Formula> (317)
C9H13NO2

>  <MolWeight> (317)
167.20502

>  <Item Name> (317)
Synephrine (Oxedrine)

>  <Catalog Number> (317)
S2362

>  <Synonyms> (317)
Oxedrine, p-Synephrine, Sympatol, Parasympatol, Sympaethamine 

>  <Target> (317)
Androgen Receptor

>  <Form> (317)
Free Base

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

>  <CAS Number> (317)
94-07-5

$$$$
Tanshinone I.cdx
csChFnd80/07171813002D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.9278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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
  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> (318)
608

>  <Formula> (318)
C18H12O3

>  <MolWeight> (318)
276.28608

>  <Item Name> (318)
Tanshinone I

>  <Catalog Number> (318)
S2364

>  <Synonyms> (318)
N/A

>  <Target> (318)
Others

>  <Form> (318)
Free Base

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

>  <CAS Number> (318)
568-73-0

$$$$
Butylscopolamine bromide.cdx
csChFnd80/07171813002D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.5396    6.5698    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    8.4722    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6846    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8970    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8970    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6846    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0999    5.4760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7970    4.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3953    6.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6783    6.7887    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0999    8.2398    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    3.9638    6.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    4.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6638    5.0225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6783    7.7616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550    7.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3908    3.6295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    4.0809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4679    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8874    8.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2498   10.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2632   11.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243   12.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549    9.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
 19  8  1  6  0  0  0
 14 20  1  6  0  0  0
 13 21  1  6  0  0  0
 12 22  1  6  0  0  0
 11 23  1  1  0  0  0
 10 24  1  1  0  0  0
  9 25  2  0  0  0  0
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 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> (319)
621

>  <Formula> (319)
C21H30BrNO4

>  <MolWeight> (319)
440.3712

>  <Item Name> (319)
Butylscopolamine bromide (Scopolamine butylb

>  <Catalog Number> (319)
S2378

>  <Synonyms> (319)
Scopolamine butylbromide, Butylhyoscine

>  <Target> (319)
Others

>  <Form> (319)
Bromide

>  <URL> (319)
http://www.selleckchem.com/products/Butylscopolamine-bromide(Scopolamine-butylbromide).html

>  <CAS Number> (319)
149-64-4

$$$$
Indirubin.cdx
csChFnd80/07171813002D

 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
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M  END
>  <Mol_ID> (320)
629

>  <Formula> (320)
C16H10N2O2

>  <MolWeight> (320)
262.2628

>  <Item Name> (320)
Indirubin

>  <Catalog Number> (320)
S2386

>  <Synonyms> (320)
N/A

>  <Target> (320)
GSK-3

>  <Form> (320)
Free Base

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

>  <CAS Number> (320)
479-41-4 

$$$$
Lappaconite Hydrobromide.cdx
csChFnd80/07171813002D

 46 51  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  6  0  0  0
M  END
>  <Mol_ID> (321)
630

>  <Formula> (321)
C32H45BrN2O8

>  <MolWeight> (321)
665.6123

>  <Item Name> (321)
Lappaconite Hydrobromide

>  <Catalog Number> (321)
S2387

>  <Synonyms> (321)
N/A

>  <Target> (321)
Others

>  <Form> (321)
Hydrobromide

>  <URL> (321)
http://www.selleckchem.com/products/Lappaconite-Hydrobromide.html

>  <CAS Number> (321)
97792-45-5 

$$$$
Polydatin.cdx
csChFnd80/07171813002D

 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
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M  END
>  <Mol_ID> (322)
633

>  <Formula> (322)
C20H22O8

>  <MolWeight> (322)
390.38388

>  <Item Name> (322)
Polydatin(Piceid)

>  <Catalog Number> (322)
S2390

>  <Synonyms> (322)
Piceid, 3,4,5-Tsg, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside 

>  <Target> (322)
Phospholipase (e.g. PLA)

>  <Form> (322)
Free Base

>  <URL> (322)
http://www.selleckchem.com/products/Polydatin(Piceid).html

>  <CAS Number> (322)
65914-17-2

$$$$
Naringenin.cdx
csChFnd80/07171813002D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (323)
637

>  <Formula> (323)
C15H12O5

>  <MolWeight> (323)
272.25278

>  <Item Name> (323)
Naringenin

>  <Catalog Number> (323)
S2394

>  <Synonyms> (323)
N/A

>  <Target> (323)
P450

>  <Form> (323)
Free Base

>  <URL> (323)
http://www.selleckchem.com/products/Naringenin.html

>  <CAS Number> (323)
480-41-1

$$$$
S-(+)-Rolipram.cdx
csChFnd80/07171813002D

 20 22  0  0  0  0  0  0  0  0999 V2000
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S-(+)-Rolipram

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PDE

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

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85416-73-5

$$$$
Fudosteine.cdx
csChFnd80/07171813002D

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C6H13NO3S

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Fudosteine

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N/A

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Others

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Free Base

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

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13189-98-5

$$$$
Roflumilast.cdx
csChFnd80/07171813002D

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652

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Daxas

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PDE

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Free Base

>  <URL> (326)
http://www.selleckchem.com/products/Roflumilast(Daxas).html

>  <CAS Number> (326)
162401-32-3

$$$$
E7080.cdx
csChFnd80/07171813002D

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C21H19ClN4O4

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E7080 (Lenvatinib)

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S1164 

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N/A

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VEGFR

>  <Form> (327)
Free Base

>  <URL> (327)
http://www.selleckchem.com/products/E7080.html

>  <CAS Number> (327)
417716-92-8

$$$$
AZD8330.cdx
csChFnd80/07171813002D

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MEK

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Free Base

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http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

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869357-68-6

$$$$
Creatinine.cdx
csChFnd80/07171813002D

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>  <URL> (329)
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60-27-5

$$$$
Ethynodiol diacetate.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (330)
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C24H32O4

>  <MolWeight> (330)
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Ethynodiol diacetate

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S3160

>  <Synonyms> (330)
N/A 

>  <Target> (330)
Estrogen/progestogen Receptor

>  <Form> (330)
Free Base

>  <URL> (330)
http://www.selleckchem.com/products/ethynodiol-diacetate.html

>  <CAS Number> (330)
297-76-7

$$$$
Atomoxetine hydrochloride.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (331)
661

>  <Formula> (331)
C17H22ClNO

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291.81568

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Atomoxetine HCl

>  <Catalog Number> (331)
S3175

>  <Synonyms> (331)
N/A 

>  <Target> (331)
5-HT Receptor

>  <Form> (331)
hydrochloride

>  <URL> (331)
http://www.selleckchem.com/products/atomoxetine-hydrochloride.html

>  <CAS Number> (331)
82248-59-7

$$$$
BRL54443.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (332)
662

>  <Formula> (332)
C14H18N2O

>  <MolWeight> (332)
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BRL 54443

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S2852

>  <Synonyms> (332)
N/A 

>  <Target> (332)
5-HT Receptor

>  <Form> (332)
Free Base

>  <URL> (332)
http://www.selleckchem.com/products/brl-54443.html

>  <CAS Number> (332)
57477-39-1

$$$$
GSK 1292263.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (333)
663

>  <Formula> (333)
C23H28N4O4S

>  <MolWeight> (333)
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>  <Item Name> (333)
GSK1292263

>  <Catalog Number> (333)
S2149

>  <Synonyms> (333)
N/A

>  <Target> (333)
GPR 

>  <Form> (333)
Free Base

>  <URL> (333)
http://www.selleckchem.com/products/GSK1292263.html

>  <CAS Number> (333)
1032823-75-8

$$$$
Neratinib.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (334)
664

>  <Formula> (334)
C30H29ClN6O3

>  <MolWeight> (334)
557.04266

>  <Item Name> (334)
Neratinib (HKI-272)

>  <Catalog Number> (334)
S2150

>  <Synonyms> (334)
N/A 

>  <Target> (334)
HER2, EGFR

>  <Form> (334)
Free Base

>  <URL> (334)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

>  <CAS Number> (334)
698387-09-6

$$$$
Amitriptyline hydrochloride.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (335)
668

>  <Formula> (335)
C20H24ClN

>  <MolWeight> (335)
313.86426

>  <Item Name> (335)
Amitriptyline HCl 

>  <Catalog Number> (335)
S3183

>  <Synonyms> (335)
N/A 

>  <Target> (335)
5-HT Receptor

>  <Form> (335)
hydrochloride

>  <URL> (335)
http://www.selleckchem.com/products/amitriptyline-hydrochloride.html

>  <CAS Number> (335)
549-18-8

$$$$
KW2449.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (336)
671

>  <Formula> (336)
C20H20N4O

>  <MolWeight> (336)
332.399

>  <Item Name> (336)
KW 2449

>  <Catalog Number> (336)
S2158

>  <Synonyms> (336)
N/A

>  <Target> (336)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (336)
Free Base

>  <URL> (336)
http://www.selleckchem.com/products/KW-2449.html

>  <CAS Number> (336)
1000669-72-6

$$$$
raf265.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (337)
673

>  <Formula> (337)
C24H16F6N6O

>  <MolWeight> (337)
518.4138592

>  <Item Name> (337)
RAF265 (CHIR-265)

>  <Catalog Number> (337)
S2161

>  <Synonyms> (337)
N/A 

>  <Target> (337)
Raf, VEGFR

>  <Form> (337)
Free Base

>  <URL> (337)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

>  <CAS Number> (337)
927880-90-8

$$$$

csChFnd80/07171813002D

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S2170

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N/A 

>  <Target> (338)
HDAC 

>  <Form> (338)
Chloride

>  <URL> (338)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

>  <CAS Number> (338)
732302-99-7

$$$$
Daphnetin.cdx
csChFnd80/07171813002D

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Daphnetin

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S2554 

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N/A 

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DNA/RNA Synthesis

>  <Form> (339)
Free Base

>  <URL> (339)
http://www.selleckchem.com/products/Daphnetin.html

>  <CAS Number> (339)
486-35-1

$$$$
AG14361.cdx
csChFnd80/07171813002D

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678

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C19H20N4O

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AG14361

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S2178

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N/A

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PARP

>  <Form> (340)
Free Base

>  <URL> (340)
http://www.selleckchem.com/products/AG14361.html

>  <CAS Number> (340)
328543-09-5

$$$$
LY2784544.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (341)
679

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C23H25ClFN7O

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>  <Item Name> (341)
Gandotinib (LY2784544)

>  <Catalog Number> (341)
S2179

>  <Synonyms> (341)
N/A

>  <Target> (341)
JAK 

>  <Form> (341)
Free Base

>  <URL> (341)
http://www.selleckchem.com/products/LY2784544.html

>  <CAS Number> (341)
1229236-86-5

$$$$
Oxybutynin chloride.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (342)
683

>  <Formula> (342)
C22H32ClNO3

>  <MolWeight> (342)
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>  <Item Name> (342)
Oxybutynin chloride

>  <Catalog Number> (342)
S3117

>  <Synonyms> (342)
N/A 

>  <Target> (342)
AChR

>  <Form> (342)
Chloride

>  <URL> (342)
http://www.selleckchem.com/products/oxybutynin-chloride.html

>  <CAS Number> (342)
1508-65-2

$$$$
MLN9708.cdx
csChFnd80/07171813002D

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Proteasome

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1201902-80-8

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Kinesin

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Hydrochloride

>  <URL> (344)
http://www.selleckchem.com/products/SB-743921.html

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940929-33-9

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P450

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http://www.selleckchem.com/products/Avasimibe(CI-1011).html

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166518-60-1 

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EGFR, HER2

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VEGFR, Src, Raf, Bcr-Abl

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Free Base

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http://www.selleckchem.com/products/NVP-BHG712.html

>  <CAS Number> (351)
940310-85-0

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C21H22ClN3O4

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OSI-420 (Desmethyl Erlotinib)

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S2205

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CP-473420 

>  <Target> (352)
EGFR

>  <Form> (352)
Hydrochloride

>  <URL> (352)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

>  <CAS Number> (352)
183320-51-6

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700

>  <Formula> (353)
C22H19N7O

>  <MolWeight> (353)
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S2207

>  <Synonyms> (353)
N/A

>  <Target> (353)
PI3K

>  <Form> (353)
Free Base

>  <URL> (353)
http://www.selleckchem.com/products/PIK-293.html

>  <CAS Number> (353)
900185-01-5 

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Lentaron(R), 17-dione, CGP-32349, NSC 282175 

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Aromatase 

>  <Form> (354)
Free Base

>  <URL> (354)
http://www.selleckchem.com/products/Formestane.html

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566-48-3

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Syk

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Sodium Salt

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csChFnd80/07171813002D

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JAK

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Free Base

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http://www.selleckchem.com/products/AZ-960.html

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905586-69-8

$$$$
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GSI-IX

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Gamma-secretase, Beta Amyloid

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Free Base

>  <URL> (357)
http://www.selleckchem.com/products/DAPT-GSI-IX.html

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208255-80-5

$$$$
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HER2

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366017-09-6

$$$$
irinotecan.cdx
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M  END
>  <Mol_ID> (359)
707

>  <Formula> (359)
C33H45ClN4O9

>  <MolWeight> (359)
677.1848

>  <Item Name> (359)
Irinotecan HCl Trihydrate (Campto)

>  <Catalog Number> (359)
S2217 

>  <Synonyms> (359)
CPT 11, Camptosar, Campto, Irinotecan 

>  <Target> (359)
Topoisomerase

>  <Form> (359)
HCl & trihydrat

>  <URL> (359)
http://www.selleckchem.com/products/Irinotecan-Hcl-Trihydrate-Campto.html

>  <CAS Number> (359)
136572-09-3

$$$$
PP442.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (360)
708

>  <Formula> (360)
C16H16N6O

>  <MolWeight> (360)
308.33784

>  <Item Name> (360)
Torkinib (PP242)

>  <Catalog Number> (360)
S2218

>  <Synonyms> (360)
TORKinib 

>  <Target> (360)
mTOR

>  <Form> (360)
Free Base

>  <URL> (360)
http://www.selleckchem.com/products/PP242.html

>  <CAS Number> (360)
1092351-67-1

$$$$
CYT 387.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (361)
709

>  <Formula> (361)
C23H22N6O2

>  <MolWeight> (361)
414.45978

>  <Item Name> (361)
Momelotinib (CYT387)

>  <Catalog Number> (361)
S2219

>  <Synonyms> (361)
CYT 11387 

>  <Target> (361)
JAK 

>  <Form> (361)
Free Base

>  <URL> (361)
http://www.selleckchem.com/products/Cyt387.html

>  <CAS Number> (361)
1056634-68-4

$$$$
SB 590885.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (362)
710

>  <Formula> (362)
C27H27N5O2

>  <MolWeight> (362)
453.53558

>  <Item Name> (362)
SB590885

>  <Catalog Number> (362)
S2220

>  <Synonyms> (362)
GSK2118436 

>  <Target> (362)
Raf

>  <Form> (362)
Free Base

>  <URL> (362)
http://www.selleckchem.com/products/SB590885.html

>  <CAS Number> (362)
405554-55-4 

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (363)
712

>  <Formula> (363)
C22H18O11

>  <MolWeight> (363)
458.37172

>  <Item Name> (363)
(-)-Epigallocatechin gallate

>  <Catalog Number> (363)
S2250

>  <Synonyms> (363)
EGCG

>  <Target> (363)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (363)
Free Base

>  <URL> (363)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

>  <CAS Number> (363)
989-51-5

$$$$
(-)-Huperzine A.cdx
csChFnd80/07171813002D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2889    4.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6637    3.6331    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  2  0  0  0  0
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  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
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  3  9  1  0  0  0  0
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 11 12  1  0  0  0  0
 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (364)
713

>  <Formula> (364)
C15H18N2O

>  <MolWeight> (364)
242.31622

>  <Item Name> (364)
(-)-Huperzine A (HupA)

>  <Catalog Number> (364)
S2251

>  <Synonyms> (364)
N/A

>  <Target> (364)
AChR & GluR

>  <Form> (364)
Free Base

>  <URL> (364)
http://www.selleckchem.com/products/(-)-Huperzine-A.html

>  <CAS Number> (364)
102518-79-6

$$$$
Apigenin.cdx
csChFnd80/07171813002D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (365)
720

>  <Formula> (365)
C15H10O5

>  <MolWeight> (365)
270.2369

>  <Item Name> (365)
Apigenin

>  <Catalog Number> (365)
S2262

>  <Synonyms> (365)
N/A

>  <Target> (365)
P450

>  <Form> (365)
Free Base

>  <URL> (365)
http://www.selleckchem.com/products/Apigenin.html

>  <CAS Number> (365)
520-36-5

$$$$
Asiatic acid.cdx
csChFnd80/07171813002D

 38 42  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (366)
723

>  <Formula> (366)
C30H48O5

>  <MolWeight> (366)
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>  <Item Name> (366)
Asiatic acid

>  <Catalog Number> (366)
S2266

>  <Synonyms> (366)
N/A

>  <Target> (366)
p38 MAPK

>  <Form> (366)
Free Base

>  <URL> (366)
http://www.selleckchem.com/products/Asiatic-acid.html

>  <CAS Number> (366)
464-92-6

$$$$
Baicalein.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (367)
724

>  <Formula> (367)
C15H10O5

>  <MolWeight> (367)
270.2369

>  <Item Name> (367)
Baicalein

>  <Catalog Number> (367)
S2268

>  <Synonyms> (367)
N/A

>  <Target> (367)
P450

>  <Form> (367)
Free Base

>  <URL> (367)
http://www.selleckchem.com/products/Baicalein.html

>  <CAS Number> (367)
491-67-8

$$$$
VX 765.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (368)
729

>  <Formula> (368)
C24H33ClN4O6

>  <MolWeight> (368)
508.99502

>  <Item Name> (368)
Belnacasan (VX-765)

>  <Catalog Number> (368)
S2228

>  <Synonyms> (368)
N/A

>  <Target> (368)
Caspase

>  <Form> (368)
Free Base

>  <URL> (368)
http://www.selleckchem.com/products/VX-765.html

>  <CAS Number> (368)
273404-37-8

$$$$
Cryptotanshinone.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (369)
738

>  <Formula> (369)
C19H20O3

>  <MolWeight> (369)
296.3603

>  <Item Name> (369)
Cryptotanshinone

>  <Catalog Number> (369)
S2285 

>  <Synonyms> (369)
N/A

>  <Target> (369)
STAT

>  <Form> (369)
Free Base

>  <URL> (369)
http://www.selleckchem.com/products/Cryptotanshinone.html

>  <CAS Number> (369)
35825-57-1

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (370)
739

>  <Formula> (370)
C20H25ClN2O5

>  <MolWeight> (370)
408.8759

>  <Item Name> (370)
Amlodipine (Norvasc)

>  <Catalog Number> (370)
S1905

>  <Synonyms> (370)
Istin, Norvasc, Caduet

>  <Target> (370)
Calcium Channel

>  <Form> (370)
Free Base

>  <URL> (370)
http://www.selleckchem.com/products/Amlodipine(Norvasc).html

>  <CAS Number> (370)
88150-42-9

$$$$
dihydroartemisinin.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (371)
742

>  <Formula> (371)
C15H24O5

>  <MolWeight> (371)
284.34806

>  <Item Name> (371)
Dihydroartemisinin (DHA)

>  <Catalog Number> (371)
S2290

>  <Synonyms> (371)
N/A 

>  <Target> (371)
Others

>  <Form> (371)
Free Base

>  <URL> (371)
http://www.selleckchem.com/products/Dihydroartemisinin(DHA).html

>  <CAS Number> (371)
71939-50-9

$$$$
10-Hydroxycamptothecin.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (372)
750

>  <Formula> (372)
C20H16N2O5

>  <MolWeight> (372)
364.35144

>  <Item Name> (372)
10-Hydroxycamptothecin

>  <Catalog Number> (372)
S2423 

>  <Synonyms> (372)
N/A 

>  <Target> (372)
Topoisomerase

>  <Form> (372)
Free Base

>  <URL> (372)
http://www.selleckchem.com/products/10-hydroxycamptothecin.html

>  <CAS Number> (372)
19685-09-7

$$$$
Glycyrrhizic acid.cdx
csChFnd80/07171813002D

 61 67  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (373)
754

>  <Formula> (373)
C42H62O16

>  <MolWeight> (373)
822.93208

>  <Item Name> (373)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Catalog Number> (373)
S2302

>  <Synonyms> (373)
N/A

>  <Target> (373)
Others

>  <Form> (373)
Free Base

>  <URL> (373)
http://www.selleckchem.com/products/Glycyrrhizic-acid.html

>  <CAS Number> (373)
1405-86-3

$$$$
Tolbutamide.cdx
csChFnd80/07171813002D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (374)
758

>  <Formula> (374)
C12H18N2O3S

>  <MolWeight> (374)
270.34792

>  <Item Name> (374)
Tolbutamide

>  <Catalog Number> (374)
S2443 

>  <Synonyms> (374)
N/A 

>  <Target> (374)
Potassium Channel 

>  <Form> (374)
Free Base

>  <URL> (374)
http://www.selleckchem.com/products/tolbutamide.html

>  <CAS Number> (374)
64-77-7

$$$$
Hesperetin.cdx
csChFnd80/07171813002D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (375)
759

>  <Formula> (375)
C16H14O6

>  <MolWeight> (375)
302.27876

>  <Item Name> (375)
Hesperetin

>  <Catalog Number> (375)
S2308

>  <Synonyms> (375)
N/A

>  <Target> (375)
Histamine Receptor

>  <Form> (375)
Free Base

>  <URL> (375)
http://www.selleckchem.com/products/Hesperetin.html

>  <CAS Number> (375)
520-33-2

$$$$
Honokiol.cdx
csChFnd80/07171813002D

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C18H18O2

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Honokiol

>  <Catalog Number> (376)
S2310

>  <Synonyms> (376)
N/A

>  <Target> (376)
Akt, MEK

>  <Form> (376)
Free Base

>  <URL> (376)
http://www.selleckchem.com/products/Honokiol.html

>  <CAS Number> (376)
35354-74-6

$$$$
Icariin.cdx
csChFnd80/07171813002D

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763

>  <Formula> (377)
C33H40O15

>  <MolWeight> (377)
676.6617

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Icariin

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S2312

>  <Synonyms> (377)
N/A

>  <Target> (377)
PDE

>  <Form> (377)
Free Base

>  <URL> (377)
http://www.selleckchem.com/products/Icariin.html

>  <CAS Number> (377)
489-32-7

$$$$
Limonin.cdx
csChFnd80/07171813002D

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768

>  <Formula> (378)
C26H30O8

>  <MolWeight> (378)
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>  <Item Name> (378)
Limonin

>  <Catalog Number> (378)
S2319

>  <Synonyms> (378)
N/A

>  <Target> (378)
Others

>  <Form> (378)
Free Base

>  <URL> (378)
http://www.selleckchem.com/products/Limonin.html

>  <CAS Number> (378)
1180-71-8

$$$$
Luteolin.cdx
csChFnd80/07171813002D

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769

>  <Formula> (379)
C15H10O6

>  <MolWeight> (379)
286.2363

>  <Item Name> (379)
Luteolin

>  <Catalog Number> (379)
S2320

>  <Synonyms> (379)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (379)
PDE

>  <Form> (379)
Free Base

>  <URL> (379)
http://www.selleckchem.com/products/Luteolin(Luteolol).html

>  <CAS Number> (379)
491-70-3 

$$$$
matrine.cdx
csChFnd80/07171813002D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
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 14 15  1  0  0  0  0
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  5 22  1  6  0  0  0
M  END
>  <Mol_ID> (380)
771

>  <Formula> (380)
C15H24N2O

>  <MolWeight> (380)
248.36386

>  <Item Name> (380)
Matrine ((+)-Matrine)

>  <Catalog Number> (380)
S2322

>  <Synonyms> (380)
(+)-Matrine

>  <Target> (380)
Opioid Receptor

>  <Form> (380)
Free Base

>  <URL> (380)
http://www.selleckchem.com/products/Matrine((+)-Matrine).html

>  <CAS Number> (380)
519-02-8 

$$$$
Myricetin.cdx
csChFnd80/07171813002D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 15  1  0  0  0  0
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 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (381)
775

>  <Formula> (381)
C15H10O8

>  <MolWeight> (381)
318.2351

>  <Item Name> (381)
Myricetin (Cannabiscetin)

>  <Catalog Number> (381)
S2326

>  <Synonyms> (381)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (381)
NULL

>  <Form> (381)
Free Base

>  <URL> (381)
http://www.selleckchem.com/products/Myricetin(Cannabiscetin).html

>  <CAS Number> (381)
529-44-2

$$$$
Oridonin.cdx
csChFnd80/07171813002D

 28 32  0  0  0  0  0  0  0  0999 V2000
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    1.3429    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5097    5.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
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 15  9  1  0  0  0  0
  9  7  1  1  0  0  0
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 14 16  1  0  0  0  0
 11 17  2  0  0  0  0
 10 18  2  0  0  0  0
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  8 20  1  6  0  0  0
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  5 24  1  1  0  0  0
  6 25  1  1  0  0  0
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  7 26  1  1  0  0  0
 12 27  1  6  0  0  0
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M  END
>  <Mol_ID> (382)
782

>  <Formula> (382)
C20H28O6

>  <MolWeight> (382)
364.43272

>  <Item Name> (382)
Oridonin (Isodonol)

>  <Catalog Number> (382)
S2335

>  <Synonyms> (382)
Isodonol

>  <Target> (382)
Others

>  <Form> (382)
Free Base

>  <URL> (382)
http://www.selleckchem.com/products/Oridonin(Isodonol).html

>  <CAS Number> (382)
28957-04-2

$$$$
Parthenolide.cdx
csChFnd80/07171813002D

 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
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    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
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    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> (383)
787

>  <Formula> (383)
C15H20O3

>  <MolWeight> (383)
248.3175

>  <Item Name> (383)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (383)
S2341

>  <Synonyms> (383)
N/A 

>  <Target> (383)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (383)
Free Base

>  <URL> (383)
http://www.selleckchem.com/products/Parthenolide((-)-Parthenolide).html

>  <CAS Number> (383)
20554-84-1

$$$$
Dihydromyricetin.cdx
csChFnd80/07171813002D

 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
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
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 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (384)
797

>  <Formula> (384)
C15H12O8

>  <MolWeight> (384)
320.25098

>  <Item Name> (384)
Dihydromyricetin (Ampeloptin)

>  <Catalog Number> (384)
S2399

>  <Synonyms> (384)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (384)
Others

>  <Form> (384)
Free Base

>  <URL> (384)
http://www.selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

>  <CAS Number> (384)
27200-12-0

$$$$
Sodium Danshensu.cdx
csChFnd80/07171813002D

 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
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    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
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    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> (385)
799

>  <Formula> (385)
C9H9NaO5

>  <MolWeight> (385)
220.15453

>  <Item Name> (385)
Sodium Danshensu

>  <Catalog Number> (385)
S2401

>  <Synonyms> (385)
N/A

>  <Target> (385)
P450

>  <Form> (385)
Sodium Salt

>  <URL> (385)
http://www.selleckchem.com/products/Sodium-Danshensu.html

>  <CAS Number> (385)
67920-52-9

$$$$
Sophocarpine.cdx
csChFnd80/07171813002D

 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
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    4.8497    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    4.1951    0.0000 C   0  0  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
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 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> (386)
803

>  <Formula> (386)
C15H22N2O

>  <MolWeight> (386)
246.34798

>  <Item Name> (386)
Sophocarpine

>  <Catalog Number> (386)
S2405 

>  <Synonyms> (386)
N/A

>  <Target> (386)
Others

>  <Form> (386)
Free Base

>  <URL> (386)
http://www.selleckchem.com/products/Sophocarpine.html

>  <CAS Number> (386)
6483-15-4

$$$$
Chrysophanic acid.cdx
csChFnd80/07171813002D

 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> (387)
804

>  <Formula> (387)
C15H10O4

>  <MolWeight> (387)
254.2375

>  <Item Name> (387)
Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (387)
S2406

>  <Synonyms> (387)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (387)
EGFR, mTOR

>  <Form> (387)
Free Base

>  <URL> (387)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (387)
481-74-3

$$$$
Amantadine HCl.cdx
csChFnd80/07171813002D

 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> (388)
806

>  <Formula> (388)
C10H18ClN

>  <MolWeight> (388)
187.70962

>  <Item Name> (388)
Amantadine hydrochloride (Symmetrel)

>  <Catalog Number> (388)
S2451

>  <Synonyms> (388)
Symmetrel

>  <Target> (388)
Dopamine Receptor

>  <Form> (388)
Hydrochloride

>  <URL> (388)
selleckchem.com/products/Amantadine-hydrochloride(Symmetrel).html

>  <CAS Number> (388)
665-66-7

$$$$
Amfebutamone HCl.cdx
csChFnd80/07171813002D

 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
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  5  8  1  0  0  0  0
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 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> (389)
807

>  <Formula> (389)
C13H19Cl2NO

>  <MolWeight> (389)
276.20206

>  <Item Name> (389)
Amfebutamone (Bupropion) HCl

>  <Catalog Number> (389)
S2452

>  <Synonyms> (389)
Wellbutrin, Zyban, Budeprion

>  <Target> (389)
Dopamine Receptor

>  <Form> (389)
Hydrochloride

>  <URL> (389)
http://www.selleckchem.com/products/Amfebutamone-hydrochloride(Bupropion).html

>  <CAS Number> (389)
31677-93-7

$$$$
Benserazide hydrochloride.cdx
csChFnd80/07171813002D

 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
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    3.6458    6.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.9634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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   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
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  4 10  1  0  0  0  0
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 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> (390)
808

>  <Formula> (390)
C10H16ClN3O5

>  <MolWeight> (390)
293.70414

>  <Item Name> (390)
Benserazide HCl

>  <Catalog Number> (390)
S2453

>  <Synonyms> (390)
Ro-4-4602

>  <Target> (390)
Dopamine Receptor

>  <Form> (390)
Hydrochloride

>  <URL> (390)
selleckchem.com/products/Benserazide-hydrochloride(Serazide).html

>  <CAS Number> (390)
14919-77-8

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/07171813002D

 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
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    2.4249    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  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
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 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> (391)
809

>  <Formula> (391)
C18H29ClN2O

>  <MolWeight> (391)
324.88866

>  <Item Name> (391)
Bupivacaine hydrochloride (Marcain)

>  <Catalog Number> (391)
S2454

>  <Synonyms> (391)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (391)
Sodium Channel

>  <Form> (391)
Hydrochloride

>  <URL> (391)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

>  <CAS Number> (391)
18010-40-7

$$$$
Astragaloside A.cdx
csChFnd80/07171813002D

 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
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    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
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   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
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 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> (392)
810

>  <Formula> (392)
C41H68O14

>  <MolWeight> (392)
784.97022

>  <Item Name> (392)
Astragaloside A

>  <Catalog Number> (392)
S2415

>  <Synonyms> (392)
Cyclosiversioside F

>  <Target> (392)
Calcium Channel

>  <Form> (392)
Free Base

>  <URL> (392)
http://www.selleckchem.com/products/astragaloside-a.html

>  <CAS Number> (392)
83207-58-3

$$$$
Carbamyl-beta-methylcholine chloride.cdx
csChFnd80/07171813002D

 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> (393)
811

>  <Formula> (393)
C7H17ClN2O2

>  <MolWeight> (393)
196.67508

>  <Item Name> (393)
Bethanechol chloride

>  <Catalog Number> (393)
S2455

>  <Synonyms> (393)
N/A 

>  <Target> (393)
AChR

>  <Form> (393)
quaternary-N Chloride salt

>  <URL> (393)
selleckchem.com/products/Carbamyl-beta-methylcholine-chloride(Bethanechol-chloride).html

>  <CAS Number> (393)
590-63-6

$$$$
Chlorpromazine HCl.cdx
csChFnd80/07171813002D

 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> (394)
812

>  <Formula> (394)
C17H20Cl2N2S

>  <MolWeight> (394)
355.3251

>  <Item Name> (394)
Chlorpromazine HCl

>  <Catalog Number> (394)
S2456

>  <Synonyms> (394)
Sonazine

>  <Target> (394)
Dopamine Receptor, Potassium Channel

>  <Form> (394)
Hydrochloride

>  <URL> (394)
http://www.selleckchem.com/products/Chlorpromazine-hydrochloride(Sonazine).html

>  <CAS Number> (394)
69-09-0

$$$$
Clonidine HCl.cdx
csChFnd80/07171813002D

 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> (395)
814

>  <Formula> (395)
C9H10Cl3N3

>  <MolWeight> (395)
266.5548

>  <Item Name> (395)
Clonidine hydrochloride (Catapres)

>  <Catalog Number> (395)
S2458

>  <Synonyms> (395)
Catapres

>  <Target> (395)
Adrenergic Receptor

>  <Form> (395)
Hydrochloride

>  <URL> (395)
http://www.selleckchem.com/products/Clonidine-hydrochloride(Catapres).html

>  <CAS Number> (395)
4205-91-8

$$$$
Dehydroepiandrosterone.cdx
csChFnd80/07171813002D

 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> (396)
816

>  <Formula> (396)
C19H28O2

>  <MolWeight> (396)
288.42442

>  <Item Name> (396)
Dehydroepiandrosterone (DHEA)

>  <Catalog Number> (396)
S2604

>  <Synonyms> (396)
DHEA

>  <Target> (396)
Androgen Receptor

>  <Form> (396)
Free Base

>  <URL> (396)
http://www.selleckchem.com/products/Dehydroepiandrosterone(DHEA).html

>  <CAS Number> (396)
53-43-0

$$$$
Domperidone.cdx
csChFnd80/07171813002D

 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> (397)
817

>  <Formula> (397)
C22H24ClN5O2

>  <MolWeight> (397)
425.91126

>  <Item Name> (397)
Domperidone (Motilium)

>  <Catalog Number> (397)
S2461

>  <Synonyms> (397)
Motilium, Motillium, Motinorm, Costi 

>  <Target> (397)
Dopamine Receptor

>  <Form> (397)
Free Base

>  <URL> (397)
http://www.selleckchem.com/products/Domperidone(Motilium).html

>  <CAS Number> (397)
57808-66-9

$$$$
Donepezil HCl.cdx
csChFnd80/07171813002D

 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> (398)
818

>  <Formula> (398)
C24H30ClNO3

>  <MolWeight> (398)
415.9529

>  <Item Name> (398)
Donepezil HCl (Aricept)

>  <Catalog Number> (398)
S2462

>  <Synonyms> (398)
N/A 

>  <Target> (398)
AChR

>  <Form> (398)
Hydrochloride

>  <URL> (398)
http://www.selleckchem.com/products/Donepezil-hydrochloride(Aricept).html

>  <CAS Number> (398)
120011-70-3

$$$$
Gallamine triethiodide.cdx
csChFnd80/07171813002D

 39 36  0  0  0  0  0  0  0  0999 V2000
    8.1209    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1209    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    5.4201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    6.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    7.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7540    8.2129    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.7540    4.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9622    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1705    4.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3787    3.3250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.9127    4.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4962    4.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880    3.3250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.9664    8.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4540    7.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0540    9.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7540   10.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3187    8.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    5.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5911    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6787    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0787    4.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4310    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9535    1.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3264    1.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0756    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    4.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9880    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6257    0.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7233    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    5.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4924    4.7392    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    8.0924    4.7392    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    8.7924    3.3392    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 33 34  1  0  0  0  0
 31 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (399)
823

>  <Formula> (399)
C30H60I3N3O3

>  <MolWeight> (399)
891.52911

>  <Item Name> (399)
Gallamine triethiodide (Flaxedil)

>  <Catalog Number> (399)
S2471

>  <Synonyms> (399)
Flaxedil

>  <Target> (399)
AChR

>  <Form> (399)
tri-quaternary-N iodide salt

>  <URL> (399)
http://www.selleckchem.com/products/Gallamine-triethiodide(Flaxedil).html

>  <CAS Number> (399)
65-29-2

$$$$
Hexestrol.cdx
csChFnd80/07171813002D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   11.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (400)
825

>  <Formula> (400)
C18H22O2

>  <MolWeight> (400)
270.36608

>  <Item Name> (400)
Hexestrol (Bibenzyl)

>  <Catalog Number> (400)
S2473

>  <Synonyms> (400)
Bibenzyl, Cycloestrol, Dihydro-stilbestro, Dihydrostilbestrol, Estra-Plex 

>  <Target> (400)
Estrogen/progestogen Receptor

>  <Form> (400)
Free Base

>  <URL> (400)
http://www.selleckchem.com/products/Hexestrol(Bibenzyl).html

>  <CAS Number> (400)
84-16-2

$$$$
Imatinib.cdx
csChFnd80/07171813002D

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>  <Formula> (401)
C29H31N7O

>  <MolWeight> (401)
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>  <Item Name> (401)
Imatinib (STI571) 

>  <Catalog Number> (401)
S2475 

>  <Synonyms> (401)
STI571, Glivec

>  <Form> (401)
Free Base

>  <URL> (401)
http://www.selleckchem.com/products/Imatinib(STI571).html

>  <CAS Number> (401)
152459-95-5

$$$$
Loperamide HCl.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (402)
828

>  <Formula> (402)
C29H34Cl2N2O2

>  <MolWeight> (402)
513.49846

>  <Item Name> (402)
Loperamide hydrochloride

>  <Catalog Number> (402)
S2480

>  <Synonyms> (402)
N/A

>  <Target> (402)
Opioid Receptor

>  <Form> (402)
Hydrochloride

>  <URL> (402)
http://www.selleckchem.com/products/Loperamide-hydrochloride.html

>  <CAS Number> (402)
34552-83-5

$$$$
LY 411575.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (403)
831

>  <Formula> (403)
C26H23F2N3O4

>  <MolWeight> (403)
479.4753264

>  <Item Name> (403)
LY411575

>  <Catalog Number> (403)
S2714

>  <Synonyms> (403)
N/A 

>  <Target> (403)
Gamma-secretase

>  <Form> (403)
Free Base

>  <URL> (403)
http://www.selleckchem.com/products/ly-411575.html

>  <CAS Number> (403)
209984-57-6

$$$$
PCI-32765.cdx
csChFnd80/07171813002D

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csChFnd80/07171813002D

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    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    4.8413    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1033    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6703    2.8052    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0397    2.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7397    3.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8029    4.7670    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
   18.1272    3.8724    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 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 21  2  0  0  0  0
 22 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 23  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 31  2  0  0  0  0
  9 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (408)
838

>  <Formula> (408)
C28H21N7OS

>  <MolWeight> (408)
503.57764

>  <Item Name> (408)
AMG 900

>  <Catalog Number> (408)
S2719

>  <Synonyms> (408)
N/A

>  <Target> (408)
Aurora Kinase

>  <Form> (408)
Free Base

>  <URL> (408)
http://www.selleckchem.com/products/amg-900.html

>  <CAS Number> (408)
945595-80-2

$$$$
Milrinone.cdx
csChFnd80/07171813002D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0024    0.0000 O   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
    8.4718    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  3  0  0  0  0
M  END
>  <Mol_ID> (409)
840

>  <Formula> (409)
C12H9N3O

>  <MolWeight> (409)
211.21936

>  <Item Name> (409)
Milrinone (Primacor)

>  <Catalog Number> (409)
S2484

>  <Synonyms> (409)
Primacor

>  <Target> (409)
ATPase

>  <Form> (409)
Free Base

>  <URL> (409)
http://www.selleckchem.com/products/Milrinone(Primacor).html

>  <CAS Number> (409)
78415-72-2

$$$$
nateglinide.cdx
csChFnd80/07171813002D

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  1  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (410)
844

>  <Formula> (410)
C19H27NO3

>  <MolWeight> (410)
317.42258

>  <Item Name> (410)
Nateglinide (Starlix)

>  <Catalog Number> (410)
S2489

>  <Synonyms> (410)
Starlix

>  <Target> (410)
Potassium Channel

>  <Form> (410)
Free Base

>  <URL> (410)
http://www.selleckchem.com/products/Nateglinide(Starlix).html

>  <CAS Number> (410)
105816-04-4

$$$$
Neostigmine bromide.cdx
csChFnd80/07171813002D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4429    0.6951    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (411)
846

>  <Formula> (411)
C12H19BrN2O2

>  <MolWeight> (411)
303.19546

>  <Item Name> (411)
Neostigmine bromide (Prostigmin)

>  <Catalog Number> (411)
S2490

>  <Synonyms> (411)
Prostigmin, Vagostigmin

>  <Target> (411)
AChR

>  <Form> (411)
Bromide

>  <URL> (411)
http://www.selleckchem.com/products/Neostigmine-bromide(Prostigmin).html

>  <CAS Number> (411)
114-80-7

$$$$
Nitrendipine.cdx
csChFnd80/07171813002D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8413    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4744    8.3879    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6827    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <Mol_ID> (412)
847

>  <Formula> (412)
C18H20N2O6

>  <MolWeight> (412)
360.3612

>  <Item Name> (412)
Nitrendipine

>  <Catalog Number> (412)
S2491

>  <Synonyms> (412)
N/A

>  <Target> (412)
Calcium Channel

>  <Form> (412)
Free Base

>  <URL> (412)
http://www.selleckchem.com/products/Nitrendipine.html

>  <CAS Number> (412)
39562-70-4

$$$$
Olopatadine HCl.cdx
csChFnd80/07171813002D

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.9370    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    6.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (413)
850

>  <Formula> (413)
C21H24ClNO3

>  <MolWeight> (413)
373.87316

>  <Item Name> (413)
Olopatadine hydrochloride (Opatanol)

>  <Catalog Number> (413)
S2494

>  <Synonyms> (413)
Opatanol, Pataday, Patanase, Allelock 

>  <Target> (413)
Histamine Receptor

>  <Form> (413)
Hydrochloride

>  <URL> (413)
http://www.selleckchem.com/products/Olopatadine-hydrochloride(Opatanol).html

>  <CAS Number> (413)
140462-76-6

$$$$
Ozagrel.cdx
csChFnd80/07171813002D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (414)
852

>  <Formula> (414)
C13H12N2O2

>  <MolWeight> (414)
228.24658

>  <Item Name> (414)
Ozagrel

>  <Catalog Number> (414)
S2496

>  <Synonyms> (414)
OKY 046 

>  <Target> (414)
Factor Xa

>  <Form> (414)
Free Base

>  <URL> (414)
http://www.selleckchem.com/products/Ozagrel.html

>  <CAS Number> (414)
82571-53-7

$$$$
GSK2126458.cdx
csChFnd80/07171813002D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (415)
854

>  <Formula> (415)
C25H17F2N5O3S

>  <MolWeight> (415)
505.4959864

>  <Item Name> (415)
Omipalisib (GSK2126458, GSK458)

>  <Catalog Number> (415)
S2658

>  <Synonyms> (415)
N/A 

>  <Target> (415)
PI3K, mTOR

>  <Form> (415)
Free Base

>  <URL> (415)
http://www.selleckchem.com/products/gsk2126458.html

>  <CAS Number> (415)
1086062-66-9 

$$$$
Racecadotril.cdx
csChFnd80/07171813002D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (416)
856

>  <Formula> (416)
C21H23NO4S

>  <MolWeight> (416)
385.47662

>  <Item Name> (416)
Racecadotril (Acetorphan)

>  <Catalog Number> (416)
S2503

>  <Synonyms> (416)
Acetorphan

>  <Target> (416)
Opioid Receptor

>  <Form> (416)
Free Base

>  <URL> (416)
http://www.selleckchem.com/products/Racecadotril(Acetorphan).html

>  <CAS Number> (416)
81110-73-8

$$$$
Salbutamol sulfate.cdx
csChFnd80/07171813002D

 22 21  0  0  0  0  0  0  0  0999 V2000
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 18 21  1  0  0  0  0
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M  END
>  <Mol_ID> (417)
859

>  <Formula> (417)
C13H23NO7S

>  <MolWeight> (417)
337.38922

>  <Item Name> (417)
Salbutamol sulfate (Albuterol)

>  <Catalog Number> (417)
S2507

>  <Synonyms> (417)
Albuterol, Ventolin, Aerolin, Ventorlin, Asthalin, Asthavent

>  <Target> (417)
Adrenergic Receptor

>  <Form> (417)
Sulfate

>  <URL> (417)
http://www.selleckchem.com/products/Salbutamol-sulfate(Albuterol).html

>  <CAS Number> (417)
51022-70-9

$$$$
Scopolamine hydrobromide.cdx
csChFnd80/07171813002D

 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> (418)
860

>  <Formula> (418)
C17H22BrNO4

>  <MolWeight> (418)
384.26488

>  <Item Name> (418)
Scopolamine hydrobromide

>  <Catalog Number> (418)
S2508

>  <Synonyms> (418)
N/A

>  <Target> (418)
AChR

>  <Form> (418)
Hydrobromide

>  <URL> (418)
http://www.selleckchem.com/products/Scopolamine-hydrobromide.html

>  <CAS Number> (418)
114-49-8

$$$$
Sotalol HCl.cdx
csChFnd80/07171813002D

 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> (419)
861

>  <Formula> (419)
C12H21ClN2O3S

>  <MolWeight> (419)
308.82474

>  <Item Name> (419)
Sotalol HCl

>  <Catalog Number> (419)
S2509

>  <Synonyms> (419)
Sotalex

>  <Target> (419)
Adrenergic Receptor

>  <Form> (419)
Hydrochloride

>  <URL> (419)
http://www.selleckchem.com/products/Sotalol-hydrochloride(Betapace).html

>  <CAS Number> (419)
959-24-0

$$$$
Sulfadoxine.cdx
csChFnd80/07171813002D

 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
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    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> (420)
863

>  <Formula> (420)
C12H14N4O4S

>  <MolWeight> (420)
310.32896

>  <Item Name> (420)
Sulfadoxine (Sulphadoxine)

>  <Catalog Number> (420)
S2511

>  <Synonyms> (420)
Sulphadoxine

>  <Target> (420)
Antifection

>  <Form> (420)
Free Base

>  <URL> (420)
http://www.selleckchem.com/products/Sulfadoxine(Sulphadoxine).html

>  <CAS Number> (420)
2447-57-6

$$$$
Vardenafil hydrochloride trihydrate.cdx
csChFnd80/07171813002D

 38 37  0  0  0  0  0  0  0  0999 V2000
    4.8518    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    3.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0642    2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767    3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767    4.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0642    5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    2.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4311    3.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4849    5.5392    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    4.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    3.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9098    2.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1222    3.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1222    4.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9098    5.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7849    6.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1849    6.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    5.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    4.8368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5429    7.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    6.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    9.0320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0868    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9097    6.2368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0868    7.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5179    3.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5179    8.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8826    3.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3137    2.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6845    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4338    3.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0338    3.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7338    2.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  2  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 18  1  0  0  0  0
 25 27  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 24  2  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (421)
865

>  <Formula> (421)
C23H39ClN6O7S

>  <MolWeight> (421)
579.10976

>  <Item Name> (421)
Vardenafil Hydrochloride Trihydrate (Vivanza

>  <Catalog Number> (421)
S2515

>  <Synonyms> (421)
Levitra 

>  <Target> (421)
PDE

>  <Form> (421)
Hydrochloride trihydrate

>  <URL> (421)
http://www.selleckchem.com/products/Vardenafil(Vivanza).html

>  <CAS Number> (421)
224785-90-4

$$$$
Maprotiline hydrochloride.cdx
csChFnd80/07171813002D

 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
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    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 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> (422)
866

>  <Formula> (422)
C20H24ClN

>  <MolWeight> (422)
313.86426

>  <Item Name> (422)
Maprotiline hydrochloride

>  <Catalog Number> (422)
S2517

>  <Synonyms> (422)
Deprilept, Ludiomil, Psymion

>  <Target> (422)
Reuptake inhibitor

>  <Form> (422)
Hydrochloride

>  <URL> (422)
http://www.selleckchem.com/products/Maprotiline-hydrochloride.html

>  <CAS Number> (422)
10347-81-6

$$$$
Naphazoline hydrochloride.cdx
csChFnd80/07171813002D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5695    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3327    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9201    3.3104    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  1  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (423)
867

>  <Formula> (423)
C14H15ClN2

>  <MolWeight> (423)
246.7353

>  <Item Name> (423)
Naphazoline hydrochloride (Naphcon)

>  <Catalog Number> (423)
S2519

>  <Synonyms> (423)
Naphcon, Albalon

>  <Target> (423)
Adrenergic Receptor

>  <Form> (423)
Hydrochloride

>  <URL> (423)
http://www.selleckchem.com/products/Naphazoline-hydrochloride-Naphcon.html

>  <CAS Number> (423)
550-99-2

$$$$
Epinephrine bitartrate.cdx
csChFnd80/07171813002D

 23 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.4122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8582    5.8122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    4.4146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    3.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8193    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0360    2.1024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8193    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6069    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0360    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2484    1.4024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2484    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4609    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4609    3.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6733    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  6  0  0  0
 15 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (424)
868

>  <Formula> (424)
C13H19NO9

>  <MolWeight> (424)
333.29126

>  <Item Name> (424)
Epinephrine bitartrate (Adrenalinium)

>  <Catalog Number> (424)
S2521

>  <Synonyms> (424)
D02149, Adrenalinetartrate, Adrenaline tatrate, Epinephrine Acid Tartrate 

>  <Target> (424)
Adrenergic Receptor

>  <Form> (424)
tartrate

>  <URL> (424)
http://www.selleckchem.com/products/Epinephrine-bitartrate-Adrenalinium.html

>  <CAS Number> (424)
51-42-3

$$$$
L-Adrenaline.cdx
csChFnd80/07171813002D

 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> (425)
869

>  <Formula> (425)
C9H13NO3

>  <MolWeight> (425)
183.20442

>  <Item Name> (425)
L-Adrenaline (Epinephrine)

>  <Catalog Number> (425)
S2522

>  <Synonyms> (425)
Adrenaline, d-Adrenaline, Adnephrine, Adrenalin, Chelafrin, Epinefrina, Epinephran, Epirenan, Exadri 

>  <Target> (425)
Adrenergic Receptor

>  <Form> (425)
Free Base

>  <URL> (425)
http://www.selleckchem.com/products/L-Adrenaline-Epinephrine.html

>  <CAS Number> (425)
51-43-4

$$$$
Phenytoin sodium.cdx
csChFnd80/07171813002D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.3373    4.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741    2.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.8612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7067    4.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7435    5.1871    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.0750    4.7545    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.2840    0.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2951    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3051    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0097    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
  3  8  2  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  9 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  9  1  0  0  0  0
M  END
>  <Mol_ID> (426)
870

>  <Formula> (426)
C15H11N2NaO2

>  <MolWeight> (426)
274.24981

>  <Item Name> (426)
Phenytoin sodium (Dilantin)

>  <Catalog Number> (426)
S2524

>  <Synonyms> (426)
Aleviatin, Diphenylhydantoin sodium, Eptoin, Phenytoin soluble, Prompt; Phenytek 

>  <Target> (426)
Sodium Channel

>  <Form> (426)
Sodium Salt

>  <URL> (426)
http://www.selleckchem.com/products/Phenytoin-sodium-Dilantin.html

>  <CAS Number> (426)
630-93-3

$$$$
Dopamine hydrochloride.cdx
csChFnd80/07171813002D

 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> (427)
874

>  <Formula> (427)
C8H12ClNO2

>  <MolWeight> (427)
189.63938

>  <Item Name> (427)
Dopamine hydrochloride (Inotropin)

>  <Catalog Number> (427)
S2529

>  <Synonyms> (427)
ASL 279, Cardiosteril, Dopamine Fresenius, Dopastat, Intropin, Rascordin, Revivan, Tensamin 

>  <Target> (427)
Dopamine Receptor

>  <Form> (427)
Hydrochloride 

>  <URL> (427)
http://www.selleckchem.com/products/Dopamine-hydrochloride-Inotropin.html

>  <CAS Number> (427)
62-31-7

$$$$
Asaraldehyde.cdx
csChFnd80/07171813002D

 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> (428)
876

>  <Formula> (428)
C10H12O4

>  <MolWeight> (428)
196.19988

>  <Item Name> (428)
Asaraldehyde (Asaronaldehyde)

>  <Catalog Number> (428)
S2531

>  <Synonyms> (428)
Asaronaldehyde, Asarylaldehyde, NSC 89299 

>  <Target> (428)
COX

>  <Form> (428)
Free Base

>  <URL> (428)
http://www.selleckchem.com/products/Asaraldehyde-Asaronaldehyde.html

>  <CAS Number> (428)
4460-86-0 

$$$$
Ritodrine hydrochloride.cdx
csChFnd80/07171813002D

 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
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M  END
>  <Mol_ID> (429)
878

>  <Formula> (429)
C17H22ClNO3

>  <MolWeight> (429)
323.81448

>  <Item Name> (429)
Ritodrine hydrochloride (Yutopar)

>  <Catalog Number> (429)
S2533

>  <Synonyms> (429)
DU 21220; Miolene; NSC 291565

>  <Target> (429)
Adrenergic Receptor

>  <Form> (429)
Hydrochloride

>  <URL> (429)
www.selleckchem.com/products/Ritodrine-hydrochloride-Yutopar.html

>  <CAS Number> (429)
23239-51-2

$$$$
untitled.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (430)
883

>  <Formula> (430)
C19H18ClN3O5S

>  <MolWeight> (430)
435.88132

>  <Item Name> (430)
Rivaroxaban (Xarelto)

>  <Catalog Number> (430)
S3002

>  <Synonyms> (430)
N/A 

>  <Target> (430)
Factor Xa

>  <Form> (430)
Free Base

>  <URL> (430)
http://www.selleckchem.com/products/Rivaroxaban.html

>  <CAS Number> (430)
366789-02-8

$$$$
fty720.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (431)
884

>  <Formula> (431)
C19H34ClNO2

>  <MolWeight> (431)
343.93176

>  <Item Name> (431)
Fingolimod (FTY720) HCl

>  <Catalog Number> (431)
S5002

>  <Synonyms> (431)
Gilenia 

>  <Target> (431)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (431)
Hydrochloride

>  <URL> (431)
http://www.selleckchem.com/products/FTY720.html

$$$$
untitled.cdx
csChFnd80/07171813002D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (432)
888

>  <Formula> (432)
C15H9FN2O3

>  <MolWeight> (432)
284.2419632

>  <Item Name> (432)
PTC124 (Ataluren)

>  <Catalog Number> (432)
S6003

>  <Synonyms> (432)
N/A 

>  <Target> (432)
CFTR

>  <Form> (432)
Free Base

>  <URL> (432)
http://www.selleckchem.com/products/PTC124.html

>  <CAS Number> (432)
775304-57-9

$$$$
untitled.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (433)
889

>  <Formula> (433)
C19H12F4N4O2

>  <MolWeight> (433)
404.3177928

>  <Item Name> (433)
VX-702

>  <Catalog Number> (433)
S6005

>  <Synonyms> (433)
N/A

>  <Target> (433)
p38 MAPK 

>  <Form> (433)
Free Base

>  <URL> (433)
http://www.selleckchem.com/products/VX-702.html

>  <CAS Number> (433)
745833-23-2

$$$$
NUTRESTORE (glutamine).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (434)
890

>  <Formula> (434)
C5H10N2O3

>  <MolWeight> (434)
146.1445

>  <Item Name> (434)
L-Glutamine

>  <Catalog Number> (434)
S1749

>  <Synonyms> (434)
N/A

>  <Target> (434)
Others

>  <Form> (434)
Free Base

>  <URL> (434)
http://www.selleckchem.com/products/Glutamine.html

>  <CAS Number> (434)
56-85-9

$$$$
CP-690550 citrate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (435)
891

>  <Formula> (435)
C22H28N6O8

>  <MolWeight> (435)
504.49312

>  <Item Name> (435)
Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (435)
S5001

>  <Synonyms> (435)
N/A 

>  <Target> (435)
JAK

>  <Form> (435)
Citrate

>  <URL> (435)
http://www.selleckchem.com/products/CP-690550.html

>  <CAS Number> (435)
540737-29-9

$$$$
Toremifene Citrate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (436)
892

>  <Formula> (436)
C32H36ClNO8

>  <MolWeight> (436)
598.08314

>  <Item Name> (436)
Toremifene Citrate (Fareston, Acapodene)

>  <Catalog Number> (436)
S1776

>  <Synonyms> (436)
Fareston, Acapodene

>  <Target> (436)
Estrogen/progestogen Receptor

>  <Form> (436)
Citrate 

>  <URL> (436)
www.selleckchem.com/products/Toremifene-Citrate(Fareston).html

>  <CAS Number> (436)
89778-27-8

$$$$
CAL-1011.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (437)
893

>  <Formula> (437)
C22H18FN7O

>  <MolWeight> (437)
415.4230232

>  <Item Name> (437)
CAL-101 (GS-1101)

>  <Catalog Number> (437)
S2226

>  <Synonyms> (437)
CAL101

>  <Target> (437)
PI3K 

>  <Form> (437)
Free Base

>  <URL> (437)
http://www.selleckchem.com/products/CAL-101.html

>  <CAS Number> (437)
870281-82-6

$$$$
BI 6727.cdx
csChFnd80/07171813002D

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>  <Target> (438)
PLK 

>  <Form> (438)
Free Base

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http://www.selleckchem.com/products/BI6727-Volasertib.html

>  <CAS Number> (438)
755038-65-4

$$$$
PIK-294.cdx
csChFnd80/07171813002D

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>  <Synonyms> (439)
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>  <Target> (439)
PI3K 

>  <Form> (439)
Free Base

>  <URL> (439)
http://www.selleckchem.com/products/PIK-294.html

>  <CAS Number> (439)
900185-02-6

$$$$
TAME.cdx
csChFnd80/07171813002D

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897

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C14H22N4O4S

>  <MolWeight> (440)
342.41388

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TAME

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S2225 

>  <Synonyms> (440)
N/A

>  <Target> (440)
APC

>  <Form> (440)
Free Base

>  <URL> (440)
http://www.selleckchem.com/products/TAME.html

>  <CAS Number> (440)
901-47-3

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (441)
898

>  <Formula> (441)
C20H16ClN5O3

>  <MolWeight> (441)
409.82574

>  <Item Name> (441)
Telatinib (BAY 57-9352)

>  <Catalog Number> (441)
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>  <Synonyms> (441)
N/A 

>  <Target> (441)
VEGFR, PDGFR, c-Kit

>  <Form> (441)
Free Base

>  <URL> (441)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

>  <CAS Number> (441)
332012-40-5

$$$$
Lomefloxacin hydrochloride.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (442)
900

>  <Formula> (442)
C17H20ClF2N3O3

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>  <Item Name> (442)
Lomefloxacin hydrochloride (Maxaquin)

>  <Catalog Number> (442)
S2539

>  <Synonyms> (442)
Maxaquin, Okacyn, Uniquin

>  <Target> (442)
Antifection

>  <Form> (442)
Hydrochloride 

>  <URL> (442)
http://www.selleckchem.com/products/Lomefloxacin-hydrochloride-Maxaquin.html

>  <CAS Number> (442)
98079-52-8

$$$$
Phenformin hydrochloride.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (443)
905

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C10H16ClN5

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241.72054

>  <Item Name> (443)
Phenformin hydrochloride 

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S2542

>  <Synonyms> (443)
N/A

>  <Target> (443)
AMPK

>  <Form> (443)
Hydrochloride 

>  <URL> (443)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

>  <CAS Number> (443)
834-28-6

$$$$
AZD5438.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (444)
908

>  <Formula> (444)
C18H21N5O2S

>  <MolWeight> (444)
371.45664

>  <Item Name> (444)
AZD5438

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S2621

>  <Synonyms> (444)
N/A 

>  <Target> (444)
CDK

>  <Form> (444)
Free Base

>  <URL> (444)
http://www.selleckchem.com/products/AZD5438.html

>  <CAS Number> (444)
602306-29-6 

$$$$
CK-1827452.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (445)
909

>  <Formula> (445)
C20H24FN5O3

>  <MolWeight> (445)
401.4346632

>  <Item Name> (445)
Omecamtiv mecarbil (CK-1827452)

>  <Catalog Number> (445)
S2623

>  <Synonyms> (445)
CK-1827452, CK1827452 

>  <Target> (445)
ATPase

>  <Form> (445)
Free Base

>  <URL> (445)
http://www.selleckchem.com/products/Omecamtiv-mecarbil-CK-1827452.html

>  <CAS Number> (445)
873697-71-3

$$$$
MG132.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (446)
910

>  <Formula> (446)
C26H41N3O5

>  <MolWeight> (446)
475.62084

>  <Item Name> (446)
MG-132

>  <Catalog Number> (446)
S2619

>  <Synonyms> (446)
N/A 

>  <Target> (446)
Proteasome

>  <Form> (446)
Free Base

>  <URL> (446)
http://www.selleckchem.com/products/MG132.html

>  <CAS Number> (446)
133407-82-6 

$$$$
OSI-027.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (447)
911

>  <Formula> (447)
C21H22N6O3

>  <MolWeight> (447)
406.43778

>  <Item Name> (447)
OSI-027

>  <Catalog Number> (447)
S2624

>  <Synonyms> (447)
N/A 

>  <Target> (447)
mTOR

>  <Form> (447)
Free Base

>  <URL> (447)
http://www.selleckchem.com/products/OSI027.html

>  <CAS Number> (447)
936890-98-1

$$$$
PP121.cdx
csChFnd80/07171813002D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (448)
912

>  <Formula> (448)
C17H17N7

>  <MolWeight> (448)
319.36378

>  <Item Name> (448)
PP-121

>  <Catalog Number> (448)
S2622

>  <Synonyms> (448)
N/A

>  <Target> (448)
DNA-PK, mTOR, PDGF

>  <Form> (448)
Free Base

>  <URL> (448)
http://www.selleckchem.com/products/PP121.html

>  <CAS Number> (448)
1092788-83-4

$$$$
WP1130.cdx
csChFnd80/07171813002D

 24 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (449)
915

>  <Formula> (449)
C19H18BrN3O

>  <MolWeight> (449)
384.26972

>  <Item Name> (449)
Degrasyn (WP1130)

>  <Catalog Number> (449)
S2243

>  <Synonyms> (449)
N/A

>  <Target> (449)
DUB, Bcr-Abl

>  <Form> (449)
Free Base

>  <URL> (449)
http://www.selleckchem.com/products/WP1130.html

>  <CAS Number> (449)
856243-80-6

$$$$
Clomifene citrate.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (450)
916

>  <Formula> (450)
C32H36ClNO8

>  <MolWeight> (450)
598.08314

>  <Item Name> (450)
Clomifene citrate (Serophene)

>  <Catalog Number> (450)
S2561

>  <Synonyms> (450)
Clomid, Serophene, Milophene

>  <Target> (450)
Estrogen/progestogen Receptor

>  <Form> (450)
Citrate

>  <URL> (450)
http://www.selleckchem.com/products/Clomifene-citrate-Serophene.html

>  <CAS Number> (450)
50-41-9

$$$$
Hydralazine hydrochloride.cdx
csChFnd80/07171813002D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (451)
920

>  <Formula> (451)
C8H9ClN4

>  <MolWeight> (451)
196.63686

>  <Item Name> (451)
Hydralazine hydrochloride

>  <Catalog Number> (451)
S2562

>  <Synonyms> (451)
Apresoline

>  <Target> (451)
Others

>  <Form> (451)
Hydrochloride

>  <URL> (451)
http://www.selleckchem.com/products/Hydralazine-hydrochloride.html

>  <CAS Number> (451)
304-20-1

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (452)
921

>  <Formula> (452)
C11H18ClNO3

>  <MolWeight> (452)
247.71852

>  <Item Name> (452)
Isoprenaline hydrochloride

>  <Catalog Number> (452)
S2566

>  <Synonyms> (452)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (452)
Adrenergic Receptor

>  <Form> (452)
Hydrochloride

>  <URL> (452)
http://www.selleckchem.com/products/Isoprenaline-hydrochloride.html

>  <CAS Number> (452)
51-30-9

$$$$
BKM-120.cdx
csChFnd80/07171813002D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 17  8  1  0  0  0  0
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M  END
>  <Mol_ID> (453)
923

>  <Formula> (453)
C18H21F3N6O2

>  <MolWeight> (453)
410.3935496

>  <Item Name> (453)
BKM120 (NVP-BKM120)

>  <Catalog Number> (453)
S2247 

>  <Synonyms> (453)
N/A 

>  <Target> (453)
PI3K

>  <Form> (453)
Free Base

>  <URL> (453)
http://www.selleckchem.com/products/BKM-120.html

>  <CAS Number> (453)
944396-07-0

$$$$
CX-4945.cdx
csChFnd80/07171813002D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (454)
925

>  <Formula> (454)
C19H12ClN3O2

>  <MolWeight> (454)
349.77048

>  <Item Name> (454)
cx-4945 (Silmitasertib)

>  <Catalog Number> (454)
S2248

>  <Synonyms> (454)
N/A 

>  <Target> (454)
PKC

>  <Form> (454)
Free Base

>  <URL> (454)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

>  <CAS Number> (454)
1009820-21-6

$$$$
GW3965 hydrochloride.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (455)
927

>  <Formula> (455)
C33H32Cl2F3NO3

>  <MolWeight> (455)
618.5132896

>  <Item Name> (455)
GW3965 HCl

>  <Catalog Number> (455)
S2630

>  <Synonyms> (455)
GW-3965

>  <Target> (455)
Liver X Receptor

>  <Form> (455)
hydrochloride

>  <URL> (455)
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405911-17-3

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Cannabinoid Receptor

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Free Base

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http://www.selleckchem.com/products/AM-1241.html

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444912-48-5

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>  <Target> (485)
GSK-3

>  <Form> (485)
Free Base

>  <URL> (485)
http://www.selleckchem.com/products/TWS119.html

>  <CAS Number> (485)
601514-19-6

$$$$
Apatinib.cdx
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>  <Target> (486)
VEGFR

>  <Form> (486)
mesylate

>  <URL> (486)
http://www.selleckchem.com/products/Apatinib-YN968D1.html

>  <CAS Number> (486)
811803-05-1

$$$$
untitled.cdx
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IGF-1R

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>  <URL> (487)
http://www.selleckchem.com/products/BMS-536924.html

>  <CAS Number> (487)
468740-43-4

$$$$
937174-76-0.cdx
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Akt

>  <Form> (488)
Free Base

>  <URL> (488)
http://www.selleckchem.com/products/GSK690693.html

>  <CAS Number> (488)
937174-76-0

$$$$
LY2603618.cdx
csChFnd80/07171813002D

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>  <Formula> (489)
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>  <MolWeight> (489)
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S2626

>  <Synonyms> (489)
N/A 

>  <Target> (489)
Chk

>  <Form> (489)
Free Base

>  <URL> (489)
http://www.selleckchem.com/products/LY2603618-IC-83.html

>  <CAS Number> (489)
911222-45-2

$$$$
Neomycin sulfate.cdx
csChFnd80/07171813002D

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974

>  <Formula> (490)
C23H48N6O17S

>  <MolWeight> (490)
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>  <Item Name> (490)
Neomycin sulfate

>  <Catalog Number> (490)
S2568 

>  <Synonyms> (490)
N/A

>  <Target> (490)
Antifection

>  <Form> (490)
Sulfate

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

>  <CAS Number> (490)
1405-10-3

$$$$
Clinofbrate.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (491)
977

>  <Formula> (491)
C28H36O6

>  <MolWeight> (491)
468.58184

>  <Item Name> (491)
Clinofibrate

>  <Catalog Number> (491)
S2664

>  <Synonyms> (491)
Lipoclin

>  <Target> (491)
RAAS

>  <Form> (491)
Free Base

>  <URL> (491)
http://www.selleckchem.com/products/clinofibrate.html

>  <CAS Number> (491)
30299-08-2

$$$$
GSK1120212.cdx
csChFnd80/07171813002D

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HSP

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http://www.selleckchem.com/products/pf-04929113.html

>  <CAS Number> (495)
908115-27-5

$$$$
ADL5859.cdx
csChFnd80/07171813002D

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C24H29ClN2O3

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ADL5859 HCl

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>  <Target> (496)
Opioid Receptor

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Hydrochloride

>  <URL> (496)
http://www.selleckchem.com/products/ADL-5859.html

>  <CAS Number> (496)
850173-95-4

$$$$
Ciprofibrate.cdx
csChFnd80/07171813002D

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N/A

>  <Target> (497)
PPAR

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Free Base

>  <URL> (497)
http://www.selleckchem.com/products/ciprofibrate.html

>  <CAS Number> (497)
52214-84-3

$$$$
PHA-665752.cdx
csChFnd80/07171813002D

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c-Met

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Free Base

>  <URL> (498)
http://www.selleckchem.com/products/PHA-665752.html

>  <CAS Number> (498)
477575-56-7

$$$$
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csChFnd80/07171813002D

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HSP

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30562-34-6

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844499-71-4

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897016-82-9

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N/A

>  <Target> (507)
JAK 

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Free Base

>  <URL> (507)
http://www.selleckchem.com/products/tg-101348.html

>  <CAS Number> (507)
936091-26-8

$$$$
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>  <Target> (508)
Kinesin

>  <Form> (508)
Free Base

>  <URL> (508)
http://www.selleckchem.com/products/az-3146.html

>  <CAS Number> (508)
1124329-14-1

$$$$
CH2132799.cdx
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PI3K, mTOR

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Free Base

>  <URL> (509)
http://www.selleckchem.com/products/ch5132799.html

>  <CAS Number> (509)
1007207-67-1

$$$$
GDC 0980.cdx
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mTOR, PI3K

>  <Form> (510)
Free Base

>  <URL> (510)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

>  <CAS Number> (510)
1032754-93-0

$$$$
Nepicastat hydrochloride.cdx
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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (511)
1003

>  <Formula> (511)
C14H16ClF2N3S

>  <MolWeight> (511)
331.8117464

>  <Item Name> (511)
Nepicastat hydrochloride

>  <Catalog Number> (511)
S2695

>  <Synonyms> (511)
SYN117

>  <Target> (511)
Hydroxylase

>  <Form> (511)
Hydrochloride

>  <URL> (511)
http://www.selleckchem.com/products/nepicastat-hydrochloride.html

>  <CAS Number> (511)
170151-24-3

$$$$
CARVEDILOL (carvedilol).cdx
csChFnd80/07171813002D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.0404    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
  5 14  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (512)
1006

>  <Formula> (512)
C24H26N2O4

>  <MolWeight> (512)
406.47424

>  <Item Name> (512)
Carvedilol

>  <Catalog Number> (512)
S1831

>  <Synonyms> (512)
Coreg, Dilatrend

>  <Target> (512)
Adrenergic Receptor

>  <Form> (512)
Free Base

>  <URL> (512)
http://www.selleckchem.com/products/carvedilol.html

>  <CAS Number> (512)
72956-09-3

$$$$
Phenylephrine hydrochloride.cdx
csChFnd80/07171813002D

 14 13  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  8 12  1  1  0  0  0
  8 13  1  6  0  0  0
M  END
>  <Mol_ID> (513)
1008

>  <Formula> (513)
C9H14ClNO2

>  <MolWeight> (513)
203.66596

>  <Item Name> (513)
Phenylephrine hydrochloride

>  <Catalog Number> (513)
S2569

>  <Synonyms> (513)
N/A

>  <Target> (513)
Adrenergic Receptor

>  <Form> (513)
Hydrochloride

>  <URL> (513)
http://www.selleckchem.com/products/Phenylephrine-hydrochloride.html

>  <CAS Number> (513)
61-76-7

$$$$
ADONITOL.cdx
csChFnd80/07171813002D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8540    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  3  8  1  6  0  0  0
  5  9  1  6  0  0  0
  4 10  1  1  0  0  0
M  END
>  <Mol_ID> (514)
1011

>  <Formula> (514)
C5H12O5

>  <MolWeight> (514)
152.14578

>  <Item Name> (514)
Ribitol (Adonitol)

>  <Catalog Number> (514)
S2612 

>  <Synonyms> (514)
Adonite 
)

>  <Target> (514)
Antifection

>  <Form> (514)
Free Base

>  <URL> (514)
http://www.selleckchem.com/products/ribitol-adonitol.html

>  <CAS Number> (514)
488-81-3 

$$$$
NU-7441(KU-57788).cdx
csChFnd80/07171813002D

 30 35  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 17 11  1  0  0  0  0
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 18 19  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (515)
1014

>  <Formula> (515)
C25H19NO3S

>  <MolWeight> (515)
413.48826

>  <Item Name> (515)
NU7441(KU-57788)

>  <Catalog Number> (515)
S2638

>  <Synonyms> (515)
N/A 

>  <Target> (515)
DNA-PK, PI3K

>  <Form> (515)
Free Base

>  <URL> (515)
http://www.selleckchem.com/products/nu7441.html

>  <CAS Number> (515)
503468-95-9 

$$$$
SCH 900776.cdx
csChFnd80/07171813002D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.9324    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9324    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9324    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  5 13  1  0  0  0  0
  4 14  1  0  0  0  0
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 15 16  2  0  0  0  0
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 17  1  2  0  0  0  0
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 22 18  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (516)
1015

>  <Formula> (516)
C15H18BrN7

>  <MolWeight> (516)
376.25432

>  <Item Name> (516)
MK-8776 (SCH 900776)

>  <Catalog Number> (516)
S2735

>  <Synonyms> (516)
N/A

>  <Target> (516)
CHK

>  <Form> (516)
Free Base

>  <URL> (516)
http://www.selleckchem.com/products/sch-900776.html

>  <CAS Number> (516)
891494-63-6

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/07171813002D

 30 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (517)
1016

>  <Formula> (517)
C21H21Cl2NO5

>  <MolWeight> (517)
438.30114

>  <Item Name> (517)
Flavopiridol (Alvocidib) HCl

>  <Catalog Number> (517)
S2679

>  <Synonyms> (517)
N/A

>  <Target> (517)
CDK

>  <Form> (517)
Hydrochloride

>  <URL> (517)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

>  <CAS Number> (517)
131740-09-5

$$$$
PH797804.cdx
csChFnd80/07171813002D

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1017

>  <Formula> (518)
C22H19BrF2N2O3

>  <MolWeight> (518)
477.2986664

>  <Item Name> (518)
PH-797804

>  <Catalog Number> (518)
S2726

>  <Synonyms> (518)
N/A

>  <Target> (518)
p38 MAPK

>  <Form> (518)
Free Base

>  <URL> (518)
http://www.selleckchem.com/products/ph-797804.html

>  <CAS Number> (518)
586379-66-0

$$$$
PF299804.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (519)
1018

>  <Formula> (519)
C24H25ClFN5O2

>  <MolWeight> (519)
469.9390032

>  <Item Name> (519)
Dacomitinib (PF299804, PF-00299804)

>  <Catalog Number> (519)
S2727

>  <Synonyms> (519)
N/A

>  <Target> (519)
EGFR

>  <Form> (519)
Free Base

>  <URL> (519)
http://www.selleckchem.com/products/pf299804.html

>  <CAS Number> (519)
1110813-31-4

$$$$
SB415286.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (520)
1019

>  <Formula> (520)
C16H10ClN3O5

>  <MolWeight> (520)
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>  <Item Name> (520)
SB 415286

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S2729

>  <Synonyms> (520)
N/A

>  <Target> (520)
GSK-3

>  <Form> (520)
Free Base

>  <URL> (520)
http://www.selleckchem.com/products/sb-415286.html

>  <CAS Number> (520)
264218-23-7

$$$$
INK 128.cdx
csChFnd80/07171813002D

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   10.0757    6.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4404    7.0344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3739    5.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9739    3.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7739    4.5976    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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 25 21  1  0  0  0  0
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 26 27  1  0  0  0  0
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 31 28  1  0  0  0  0
 28 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END
>  <Mol_ID> (525)
1024

>  <Formula> (525)
C26H29N5O2

>  <MolWeight> (525)
443.54076

>  <Item Name> (525)
Crenolanib (CP-868596)

>  <Catalog Number> (525)
S2730 

>  <Synonyms> (525)
N/A 

>  <Target> (525)
PDGFR

>  <Form> (525)
Free Base

>  <URL> (525)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

>  <CAS Number> (525)
670220-88-9

$$$$
PAC1.cdx
csChFnd80/07171813002D

 29 31  0  0  0  0  0  0  0  0999 V2000
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   10.8951    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
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  3  9  1  0  0  0  0
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 13  3  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 17  2  0  0  0  0
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 18 19  2  0  0  0  0
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 25 20  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (526)
1028

>  <Formula> (526)
C23H28N4O2

>  <MolWeight> (526)
392.49402

>  <Item Name> (526)
PAC-1

>  <Catalog Number> (526)
S2738

>  <Synonyms> (526)
Procaspase activating compound 1

>  <Target> (526)
Caspase

>  <Form> (526)
Free Base

>  <URL> (526)
http://www.selleckchem.com/products/pac-1.html

>  <CAS Number> (526)
315183-21-2

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/07171813002D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  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
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  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 16 12  1  0  0  0  0
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 24 14  1  0  0  0  0
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M  END
>  <Mol_ID> (527)
1030

>  <Formula> (527)
C20H22ClN3O2

>  <MolWeight> (527)
371.86058

>  <Item Name> (527)
Tubastatin A hydrochloride

>  <Catalog Number> (527)
S2627 

>  <Synonyms> (527)
N/A

>  <Target> (527)
HDAC

>  <Form> (527)
Hydrochloride

>  <URL> (527)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

>  <CAS Number> (527)
1310693-92-5

$$$$
AG-1478.cdx
csChFnd80/07171813002D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (528)
1031

>  <Formula> (528)
C16H14ClN3O2

>  <MolWeight> (528)
315.75426

>  <Item Name> (528)
AG-1478 (Tyrphostin AG-1478)

>  <Catalog Number> (528)
S2728

>  <Synonyms> (528)
Tyrphostin AG-1478

>  <Target> (528)
EGFR

>  <Form> (528)
Free Base

>  <URL> (528)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

>  <CAS Number> (528)
153436-53-4

$$$$
PF-04691502.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (529)
1032

>  <Formula> (529)
C22H27N5O4

>  <MolWeight> (529)
425.48088

>  <Item Name> (529)
PF-04691502

>  <Catalog Number> (529)
S2743

>  <Synonyms> (529)
N/A

>  <Target> (529)
mTOR, PI3K, Akt

>  <Form> (529)
Free Base

>  <URL> (529)
http://www.selleckchem.com/products/pf-04691502.html

>  <CAS Number> (529)
1013101-36-4 

$$$$
ATP disodium salt.cdx
csChFnd80/07171813002D

 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> (530)
1036

>  <Formula> (530)
C10H14N5Na2O13P3

>  <MolWeight> (530)
551.144683

>  <Item Name> (530)
ATP (Adenosine-Triphosphate)

>  <Catalog Number> (530)
S1985

>  <Synonyms> (530)
N/A 

>  <Target> (530)
Others

>  <Form> (530)
Disodium Salt

>  <URL> (530)
http://www.selleckchem.com/products/atp-Adenosine-Triphosphate.html

>  <CAS Number> (530)
987-65-5

$$$$
Benidipine hydrochloride.cdx
csChFnd80/07171813002D

 38 40  0  0  0  0  0  0  0  0999 V2000
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 12  1  1  0  0  0  0
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 25 26  2  0  0  0  0
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M  END
>  <Mol_ID> (531)
1037

>  <Formula> (531)
C28H32ClN3O6

>  <MolWeight> (531)
542.02318

>  <Item Name> (531)
Benidipine hydrochloride

>  <Catalog Number> (531)
S2017

>  <Synonyms> (531)
N/A

>  <Target> (531)
calcium channel

>  <Form> (531)
Hydrochloride

>  <URL> (531)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

>  <CAS Number> (531)
91599-74-5

$$$$
Formoterol fumarate.cdx
csChFnd80/07171813002D

 58 59  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (532)
1041

>  <Formula> (532)
C42H52N4O12

>  <MolWeight> (532)
804.88188

>  <Item Name> (532)
Formoterol hemifumarate

>  <Catalog Number> (532)
S2020

>  <Synonyms> (532)
N/A

>  <Target> (532)
Adrenergic Receptor

>  <Form> (532)
Hemifumarate

>  <URL> (532)
http://www.selleckchem.com/products/formoterol-hemifumarate.html

>  <CAS Number> (532)
43229-80-7

$$$$
Ketotifen fumarate.cdx
csChFnd80/07171813002D

 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
    1.2570    1.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3515    0.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7164    1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    2.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7164    3.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3515    3.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4610    5.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    3.9910    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    4.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9707    4.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8435    5.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9012    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7200    2.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0960    2.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3084    3.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5166    2.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7249    3.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8877    3.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0960    1.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9331    2.6393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7249    4.7320    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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  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  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  1  1  0  0  0  0
  2 11  2  0  0  0  0
  6 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 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  4 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  5  1  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
 23 27  1  0  0  0  0
 23 28  2  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (533)
1042

>  <Formula> (533)
C23H23NO5S

>  <MolWeight> (533)
425.49742

>  <Item Name> (533)
Ketotifen fumarate (Zaditor)

>  <Catalog Number> (533)
S2024

>  <Synonyms> (533)
N/A 

>  <Target> (533)
Histamine Receptor

>  <Form> (533)
Fumarate 

>  <URL> (533)
http://www.selleckchem.com/products/ketotifen-fumarate-zaditor.html

>  <CAS Number> (533)
34580-14-8

$$$$
Lacidipine.cdx
csChFnd80/07171813002D

 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
    4.8497    2.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    5.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    6.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    8.5495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    8.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    5.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    6.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    5.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    6.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6879    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3879    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7928    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4928    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4928    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8928    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5928    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5928    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2977    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.3422    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5 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
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
  8 20  1  0  0  0  0
 20 33  2  0  0  0  0
M  END
>  <Mol_ID> (534)
1043

>  <Formula> (534)
C26H33NO6

>  <MolWeight> (534)
455.54332

>  <Item Name> (534)
Lacidipine (Lacipil, Motens)

>  <Catalog Number> (534)
S1994

>  <Synonyms> (534)
Lacipil, Motens

>  <Target> (534)
Calcium Channel 

>  <Form> (534)
Free Base

>  <URL> (534)
http://www.selleckchem.com/products/lacidipine-lacipil-motens.html

>  <CAS Number> (534)
103890-78-4

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/07171813002D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.2829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.5829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (535)
1048

>  <Formula> (535)
C12H20ClN3O

>  <MolWeight> (535)
257.7597

>  <Item Name> (535)
Procarbazine hydrochloride (Matulane)

>  <Catalog Number> (535)
S1995

>  <Synonyms> (535)
N/A 

>  <Target> (535)
DNA/RNA

>  <Form> (535)
Hydrochloride

>  <URL> (535)
http://www.selleckchem.com/products/procarbazine-hydrochloride-matulane.html

>  <CAS Number> (535)
366-70-1

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/07171813002D

 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> (536)
1051

>  <Formula> (536)
C15H25ClN2O2

>  <MolWeight> (536)
300.8242

>  <Item Name> (536)
Tetracaine hydrochloride (Pontocaine)

>  <Catalog Number> (536)
S2573 

>  <Synonyms> (536)
N/A 

>  <Target> (536)
Calcium Channel

>  <Form> (536)
Hydrochloride 

>  <URL> (536)
http://www.selleckchem.com/products/tetracaine-hydrochloride-pontocaine.html

>  <CAS Number> (536)
136-47-0

$$$$
Ticlopidine hydrochloride.cdx
csChFnd80/07171813002D

 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> (537)
1052

>  <Formula> (537)
C14H15Cl2NS

>  <MolWeight> (537)
300.2466

>  <Item Name> (537)
Ticlopidine hydrochloride

>  <Catalog Number> (537)
S1984

>  <Synonyms> (537)
N/A

>  <Target> (537)
P2 Receptor

>  <Form> (537)
Hydrochloride

>  <URL> (537)
http://www.selleckchem.com/products/ticlopidine-hydrochloride.html

>  <CAS Number> (537)
53885-35-1

$$$$
Disodium Cromoglycate.cdx
csChFnd80/07171813002D

 36 37  0  0  0  0  0  0  0  0999 V2000
    3.6289   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    9.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  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
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
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 30 26  1  0  0  0  0
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 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> (538)
1060

>  <Formula> (538)
C23H14Na2O11

>  <MolWeight> (538)
512.3302

>  <Item Name> (538)
Disodium Cromoglycate

>  <Catalog Number> (538)
S1911

>  <Synonyms> (538)
Gynazole

>  <Target> (538)
Calcium Channel

>  <Form> (538)
Disodium Salt

>  <URL> (538)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

>  <CAS Number> (538)
15826-37-6

$$$$
Tranexamic acid.cdx
csChFnd80/07171813002D

 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> (539)
1068

>  <Formula> (539)
C8H15NO2

>  <MolWeight> (539)
157.2102

>  <Item Name> (539)
Tranexamic acid (Transamin)

>  <Catalog Number> (539)
S1875

>  <Synonyms> (539)
Cyklokapron 

>  <Form> (539)
Free Base

>  <URL> (539)
http://www.selleckchem.com/products/tranexamic-acid-transamin.html

>  <CAS Number> (539)
1197-18-8

$$$$
ENALAPRILAT (enalaprilat).cdx
csChFnd80/07171813002D

 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> (540)
1070

>  <Formula> (540)
C18H28N2O7

>  <MolWeight> (540)
384.42412

>  <Item Name> (540)
Enalaprilat dihydrate

>  <Catalog Number> (540)
S1657

>  <Synonyms> (540)
N/A

>  <Target> (540)
RAAS

>  <Form> (540)
Dihydrate

>  <URL> (540)
http://www.selleckchem.com/products/Enalaprilat.html

>  <CAS Number> (540)
84680-54-6 

$$$$
Acemetacin.cdx
csChFnd80/07171813002D

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.6139    8.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6139    6.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4812    6.1728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9139    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3139    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7465    6.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2139    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9139    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3139    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0139    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1544    6.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8643    7.9686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1176    5.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0114    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3139    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0734    6.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1101    5.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4370    6.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4738    5.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8007    5.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8374    4.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0907    6.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8201    4.3057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    6.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7457    5.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368    3.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683    3.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4087    4.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8633    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  2  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 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
 20 22  2  0  0  0  0
 17 23  2  0  0  0  0
 13 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 13  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (541)
1072

>  <Formula> (541)
C21H18ClNO6

>  <MolWeight> (541)
415.82372

>  <Item Name> (541)
Acemetacin (Emflex)

>  <Catalog Number> (541)
S2602

>  <Synonyms> (541)
N/A 

>  <Target> (541)
COX

>  <Form> (541)
Free Base

>  <URL> (541)
http://www.selleckchem.com/products/acemetacin-emflex.html

>  <CAS Number> (541)
53164-05-9

$$$$
Nystatin (Fungicidin).cdx
csChFnd80/07171813002D

 67 69  0  0  0  0  0  0  0  0999 V2000
    2.4207    9.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4828   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    9.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    9.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7575   10.4879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3948    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3948    9.7879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1823   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6072    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.8196    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8196    9.7879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6072   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    6.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (542)
1074

>  <Formula> (542)
C47H75NO17

>  <MolWeight> (542)
926.0949

>  <Item Name> (542)
Nystatin (Fungicidin)

>  <Catalog Number> (542)
S1934

>  <Synonyms> (542)
N/A

>  <Target> (542)
Others

>  <Form> (542)
Free Base

>  <URL> (542)
http://www.selleckchem.com/products/Nystatin(Mycostatin).htm

>  <CAS Number> (542)
1400-61-9

$$$$
Flubendazole.cdx
csChFnd80/07171813002D

 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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M  END
>  <Mol_ID> (543)
1079

>  <Formula> (543)
C16H12FN3O3

>  <MolWeight> (543)
313.2831832

>  <Item Name> (543)
Flubendazole (Flutelmium)

>  <Catalog Number> (543)
S1837

>  <Synonyms> (543)
N/A 

>  <Target> (543)
Others

>  <Form> (543)
Free Base

>  <URL> (543)
http://www.selleckchem.com/products/flubendazole-flutelmium.html

>  <CAS Number> (543)
31430-15-6

$$$$
NADIDE.cdx
csChFnd80/07171813002D

 44 48  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  6  0  0  0
M  END
>  <Mol_ID> (544)
1083

>  <Formula> (544)
C21H27N7O14P2

>  <MolWeight> (544)
663.425102

>  <Item Name> (544)
NAD+

>  <Catalog Number> (544)
S2518

>  <Synonyms> (544)
N/A

>  <Target> (544)
Others

>  <Form> (544)
Free Base

>  <URL> (544)
http://www.selleckchem.com/products/nad.html

>  <CAS Number> (544)
53-84-9

$$$$
Phenacetin.cdx
csChFnd80/07171813002D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (545)
1084

>  <Formula> (545)
C10H13NO2

>  <MolWeight> (545)
179.21572

>  <Item Name> (545)
Phenacetin

>  <Catalog Number> (545)
S2577

>  <Synonyms> (545)
N/A

>  <Target> (545)
COX

>  <Form> (545)
Free Base

>  <URL> (545)
http://www.selleckchem.com/products/phenacetin.html

>  <CAS Number> (545)
62-44-2

$$$$
Streptomycin sulfate.cdx
csChFnd80/07171813002D

 99100  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (546)
1086

>  <Formula> (546)
C42H84N14O36S3

>  <MolWeight> (546)
1457.38356

>  <Item Name> (546)
Streptomycin sulfate

>  <Catalog Number> (546)
S2572

>  <Synonyms> (546)
N/A

>  <Target> (546)
Antifection

>  <Form> (546)
1.5 Sulfate

>  <URL> (546)
http://www.selleckchem.com/products/streptomycin-sulfate.html

>  <CAS Number> (546)
3810-74-0 

$$$$
Tolfenamic acid.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (547)
1089

>  <Formula> (547)
C14H12ClNO2

>  <MolWeight> (547)
261.70358

>  <Item Name> (547)
Tolfenamic acid

>  <Catalog Number> (547)
S1959

>  <Synonyms> (547)
N/A

>  <Target> (547)
COX

>  <Form> (547)
Free Base

>  <URL> (547)
http://www.selleckchem.com/products/tolfenamic-acid.html

>  <CAS Number> (547)
13710-19-5

$$$$
Zidovudine.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (548)
1091

>  <Formula> (548)
C10H13N5O4

>  <MolWeight> (548)
267.24132

>  <Item Name> (548)
Zidovudine (Retrovir)

>  <Catalog Number> (548)
S2579

>  <Synonyms> (548)
azidothymidine

>  <Target> (548)
Reverse Transcriptase

>  <Form> (548)
Free Base

>  <URL> (548)
http://www.selleckchem.com/products/zidovudine-retrovir.html

>  <CAS Number> (548)
30516-87-1

$$$$
Gliclazide.cdx
csChFnd80/07171813002D

 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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9532    2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8900    3.2685    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1900    4.4810    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8206    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2594    3.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4057    4.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1268    5.5214    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  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
  8 14  2  0  0  0  0
  8 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (549)
1097

>  <Formula> (549)
C15H21N3O3S

>  <MolWeight> (549)
323.41054

>  <Item Name> (549)
Gliclazide (Diamicron)

>  <Catalog Number> (549)
S2601 

>  <Synonyms> (549)
N/A 

>  <Target> (549)
Potassium Channel

>  <Form> (549)
Free Base

>  <URL> (549)
http://www.selleckchem.com/products/gliclazide-diamicron.html

>  <CAS Number> (549)
21187-98-4

$$$$
Quinapril hydrochloride.cdx
csChFnd80/07171813002D

 33 34  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  2  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.0949    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9994    2.4354    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
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 12 14  2  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 13 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 13  1  0  0  0  0
 20 25  1  1  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 22 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 23  1  0  0  0  0
 11 32  1  1  0  0  0
M  END
>  <Mol_ID> (550)
1100

>  <Formula> (550)
C25H31ClN2O5

>  <MolWeight> (550)
474.97704

>  <Item Name> (550)
Quinapril hydrochloride (Accupril)

>  <Catalog Number> (550)
S2581

>  <Synonyms> (550)
N/A 

>  <Target> (550)
RAAS

>  <Form> (550)
Hydrochloride

>  <URL> (550)
http://www.selleckchem.com/products/quinapril-hydrochloride-accupril.html

>  <CAS Number> (550)
82586-55-8

$$$$
Scopine.cdx
csChFnd80/07171813002D

 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
    0.8018    2.1613    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4001    3.4272    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6833    3.9859    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1048    5.4372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9689    3.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4127    2.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7230    1.1427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.4272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1156    4.7931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3683    0.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1114    1.2778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5237    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6833    4.9589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147    6.4273    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
  1  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9  2  1  0  0  0  0
  3 10  1  6  0  0  0
  2 11  1  6  0  0  0
  1 12  1  1  0  0  0
  8 13  1  6  0  0  0
  4 14  1  6  0  0  0
  5 15  1  0  0  0  0
M  END
>  <Mol_ID> (551)
1102

>  <Formula> (551)
C8H13NO2

>  <MolWeight> (551)
155.19432

>  <Item Name> (551)
Scopine

>  <Catalog Number> (551)
S2545

>  <Synonyms> (551)
N/A

>  <Target> (551)
Adrenergic Receptor

>  <Form> (551)
Free Base

>  <URL> (551)
http://www.selleckchem.com/products/scopine.html

>  <CAS Number> (551)
498-45-3

$$$$
Captopril.cdx
csChFnd80/07171813002D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.8903    4.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3229    3.5575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6544    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    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> (552)
1104

>  <Formula> (552)
C9H15NO3S

>  <MolWeight> (552)
217.2853

>  <Item Name> (552)
Captopril (Capoten)

>  <Catalog Number> (552)
S2051

>  <Synonyms> (552)
N/A 

>  <Target> (552)
RAAS

>  <Form> (552)
Free Base

>  <URL> (552)
http://www.selleckchem.com/products/captopril-capoten.html

>  <CAS Number> (552)
62571-86-2

$$$$
Clindamycin phosphate.cdx
csChFnd80/07171813002D

 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
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    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
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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  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> (553)
1105

>  <Formula> (553)
C18H34ClN2O8PS

>  <MolWeight> (553)
504.962921

>  <Item Name> (553)
Clindamycin phosphate

>  <Catalog Number> (553)
S2048

>  <Synonyms> (553)
N/A

>  <Target> (553)
Antifection

>  <Form> (553)
Free Base

>  <URL> (553)
http://www.selleckchem.com/products/clindamycin-phosphate.html

>  <CAS Number> (553)
24729-96-2

$$$$
Etidronate.cdx
csChFnd80/07171813002D

 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
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  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (554)
1110

>  <Formula> (554)
C2H8O7P2

>  <MolWeight> (554)
206.028242

>  <Item Name> (554)
Etidronate (Didronel)

>  <Catalog Number> (554)
S1857

>  <Synonyms> (554)
N/A 

>  <Target> (554)
phosphatase

>  <Form> (554)
Free Base

>  <URL> (554)
http://www.selleckchem.com/products/etidronate-didronel.html

>  <CAS Number> (554)
2809-21-4

$$$$
Gimeracil.cdx
csChFnd80/07171813002D

  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
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  1  8  1  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (555)
1111

>  <Formula> (555)
C5H4ClNO2

>  <MolWeight> (555)
145.54376

>  <Item Name> (555)
Gimeracil

>  <Catalog Number> (555)
S2055

>  <Synonyms> (555)
N/A

>  <Target> (555)
Dehydrogenase

>  <Form> (555)
Free Base

>  <URL> (555)
http://www.selleckchem.com/products/gimeracil.html

>  <CAS Number> (555)
103766-25-2

$$$$
Lornoxicam.cdx
csChFnd80/07171813002D

 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> (556)
1112

>  <Formula> (556)
C13H10ClN3O4S2

>  <MolWeight> (556)
371.8192

>  <Item Name> (556)
Lornoxicam (Xefo)

>  <Catalog Number> (556)
S2047

>  <Synonyms> (556)
N/A 

>  <Target> (556)
COX

>  <Form> (556)
Free Base

>  <URL> (556)
http://www.selleckchem.com/products/lornoxicam-xefo.html

>  <CAS Number> (556)
70374-39-9

$$$$
Memantine HCl.cdx
csChFnd80/07171813002D

 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
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  4 11  1  0  0  0  0
 11 10  1  0  0  0  0
  2 12  1  0  0  0  0
  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (557)
1113

>  <Formula> (557)
C12H22ClN

>  <MolWeight> (557)
215.76278

>  <Item Name> (557)
Memantine hydrochloride (Namenda)

>  <Catalog Number> (557)
S2043

>  <Synonyms> (557)
N/A 

>  <Target> (557)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (557)
Hydrochloride

>  <URL> (557)
http://www.selleckchem.com/products/memantine-hydrochloride-namenda.html

>  <CAS Number> (557)
41100-52-1

$$$$
Metoprolol tartrate.cdx
csChFnd80/07171813002D

 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
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    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
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   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
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   18.3214    3.9659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3214    6.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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  3  4  1  0  0  0  0
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 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
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 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
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 45 47  1  0  0  0  0
 42 48  1  0  0  0  0
M  END
>  <Mol_ID> (558)
1114

>  <Formula> (558)
C34H56N2O12

>  <MolWeight> (558)
684.81464

>  <Item Name> (558)
Metoprolol tartrate

>  <Catalog Number> (558)
S1856

>  <Synonyms> (558)
N/A

>  <Target> (558)
Adrenergic Receptor

>  <Form> (558)
Tartrate

>  <URL> (558)
http://www.selleckchem.com/products/metoprolol-tartrate.html

>  <CAS Number> (558)
392-17-7

$$$$
Nimesulide.cdx
csChFnd80/07171813002D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
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  3 14  1  0  0  0  0
  9 17  2  0  0  0  0
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 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> (559)
1115

>  <Formula> (559)
C13H12N2O5S

>  <MolWeight> (559)
308.30978

>  <Item Name> (559)
Nimesulide

>  <Catalog Number> (559)
S2040

>  <Synonyms> (559)
N/A

>  <Target> (559)
COX

>  <Form> (559)
Free Base

>  <URL> (559)
http://www.selleckchem.com/products/nimesulide.html

>  <CAS Number> (559)
51803-78-2

$$$$
Orphenadrine citrate.cdx
csChFnd80/07171813002D

 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
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0791    2.8122    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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   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
 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  4  1  0  0  0  0
 19 20  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  2  0  0  0  0
 22 29  2  0  0  0  0
 24 30  1  0  0  0  0
 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> (560)
1117

>  <Formula> (560)
C24H31NO8

>  <MolWeight> (560)
461.50484

>  <Item Name> (560)
Orphenadrine citrate (Norflex)

>  <Catalog Number> (560)
S2054

>  <Synonyms> (560)
N/A 

>  <Target> (560)
AChR

>  <Form> (560)
Citrate

>  <URL> (560)
http://www.selleckchem.com/products/orphenadrine-citrate-norflex.html

>  <CAS Number> (560)
4682-36-4

$$$$
Pioglitazone hydrochloride.cdx
csChFnd80/07171813002D

 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
   16.0313    2.8666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7313    4.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7945    5.1194    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.1188    4.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6251    2.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4783    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
  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
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  2  0  0  0  0
 20 25  2  0  0  0  0
M  END
>  <Mol_ID> (561)
1119

>  <Formula> (561)
C19H21ClN2O3S

>  <MolWeight> (561)
392.89964

>  <Item Name> (561)
Pioglitazone hydrochloride (Actos)

>  <Catalog Number> (561)
S2046

>  <Synonyms> (561)
N/A 

>  <Target> (561)
P450 (e.g. CYP17)

>  <Form> (561)
Hydrochloride

>  <URL> (561)
http://www.selleckchem.com/products/pioglitazone-hydrochloride-actos.html

>  <CAS Number> (561)
112529-15-4

$$$$

csChFnd80/07171813002D

 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
   16.1366   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4994   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3490   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5614   -4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7739   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (562)
1124

>  <Formula> (562)
C58H66O15S2

>  <MolWeight> (562)
1067.26564

>  <Item Name> (562)
TAK-875

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S2637

>  <Synonyms> (562)
N/A

>  <Target> (562)
GPR 

>  <Form> (562)
Hydrate

>  <URL> (562)
http://www.selleckchem.com/products/tak-875.html

>  <CAS Number> (562)
1374598-80-7

$$$$
OMNISCAN (gadodiamide).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (563)
1125

>  <Formula> (563)
C16H28GdN5O9

>  <MolWeight> (563)
591.67162

>  <Item Name> (563)
Gadodiamide Hydrate

>  <Catalog Number> (563)
S1751

>  <Synonyms> (563)
Omniscan

>  <Target> (563)
Others

>  <Form> (563)
Hydrate

>  <URL> (563)
http://www.selleckchem.com/products/Gadodiamide(Omniscan).html

>  <CAS Number> (563)
122795-43-1

$$$$
AMG 458.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (564)
1127

>  <Formula> (564)
C30H29N5O5

>  <MolWeight> (564)
539.58176

>  <Item Name> (564)
AMG458

>  <Catalog Number> (564)
S2747

>  <Synonyms> (564)
N/A

>  <Target> (564)
c-Met

>  <Form> (564)
Free Base

>  <URL> (564)
http://www.selleckchem.com/products/amg458.html

>  <CAS Number> (564)
913376-83-7 

$$$$
Anacetrapib.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (565)
1128

>  <Formula> (565)
C30H25F10NO3

>  <MolWeight> (565)
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>  <Item Name> (565)
Anacetrapib (MK-0859)

>  <Catalog Number> (565)
S2748

>  <Synonyms> (565)
N/A 

>  <Target> (565)
CETP

>  <Form> (565)
Free Base

>  <URL> (565)
http://www.selleckchem.com/products/anacetrapib-mk-0859.html

>  <CAS Number> (565)
875446-37-0

$$$$
Arry-380.cdx
csChFnd80/07171813002D

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TGF-beta/Smad

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Free Base

>  <URL> (573)
http://www.selleckchem.com/products/gw788388.html

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452342-67-5

$$$$
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EGFR, HER2

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Free Base

>  <URL> (574)
http://www.selleckchem.com/products/lapatinib.html

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231277-92-2

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MK-8245.cdx
csChFnd80/07171813002D

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S1158

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Dehydrogenase

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Free Base

>  <URL> (575)
http://www.selleckchem.com/products/mk-8245.html

>  <CAS Number> (575)
1030612-90-8

$$$$
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csChFnd80/07171813002D

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>  <Synonyms> (576)
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PI3K, mTOR

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Maleate

>  <URL> (576)
http://www.selleckchem.com/products/nvp-bgt226.html

>  <CAS Number> (576)
1245537-68-1

$$$$
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csChFnd80/07171813002D

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PI3K 

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371942-69-7

$$$$
AG1024.cdx
csChFnd80/07171813002D

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1146

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N/A 

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IGF-1R

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Free Base

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http://www.selleckchem.com/products/ag-1024-tyrphostin.html

>  <CAS Number> (578)
65678-07-1

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (579)
1147

>  <Formula> (579)
C25H30ClI2NO3

>  <MolWeight> (579)
681.77254

>  <Item Name> (579)
Amiodarone HCl

>  <Catalog Number> (579)
S1979 

>  <Synonyms> (579)
N/A

>  <Target> (579)
Potassium Channel

>  <Form> (579)
Hydrochloride

>  <URL> (579)
http://www.selleckchem.com/products/amiodarone-hcl.html

>  <CAS Number> (579)
19774-82-4

$$$$
KW-2478.cdx
csChFnd80/07171813002D

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1149

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HSP

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>  <URL> (580)
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819812-04-9

$$$$
3-Methyladenine.cdx
csChFnd80/07171813002D

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1150

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3-Methyladenine (3-MA)

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mTOR

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Sodium Channel 

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944261-79-4

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248281-84-7

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M  END
>  <Mol_ID> (607)
1180

>  <Formula> (607)
C23H17FN6O

>  <MolWeight> (607)
412.4190832

>  <Item Name> (607)
Capmatinib (INCB28060)

>  <Catalog Number> (607)
S2788

>  <Synonyms> (607)
N/A

>  <Target> (607)
c-Met 

>  <Form> (607)
Free Base

>  <URL> (607)
http://www.selleckchem.com/products/incb28060.html

>  <CAS Number> (607)
1029712-80-8

$$$$
CP-690550.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (608)
1181

>  <Formula> (608)
C16H20N6O

>  <MolWeight> (608)
312.3696

>  <Item Name> (608)
Tofacitinib (CP-690550, Tasocitinib)

>  <Catalog Number> (608)
S2789

>  <Synonyms> (608)
Tasocitinib 

>  <Target> (608)
JAK

>  <Form> (608)
Free Base

>  <URL> (608)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

>  <CAS Number> (608)
477600-75-2

$$$$
Torcetrapib.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (609)
1183

>  <Formula> (609)
C26H25F9N2O4

>  <MolWeight> (609)
600.4733288

>  <Item Name> (609)
Torcetrapib (CP-529414)

>  <Catalog Number> (609)
S2792

>  <Synonyms> (609)
N/A 

>  <Target> (609)
CETP

>  <Form> (609)
Free Base

>  <URL> (609)
http://www.selleckchem.com/products/torcetrapib-cp-529414.html

>  <CAS Number> (609)
262352-17-0

$$$$
WP1066.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (610)
1184

>  <Formula> (610)
C17H14BrN3O

>  <MolWeight> (610)
356.21656

>  <Item Name> (610)
WP1066

>  <Catalog Number> (610)
S2796

>  <Synonyms> (610)
N/A

>  <Target> (610)
JAK 

>  <Form> (610)
Free Base

>  <URL> (610)
http://www.selleckchem.com/products/wp1066.html

>  <CAS Number> (610)
857064-38-1

$$$$
Ciclopirox ethanolamine.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (611)
1188

>  <Formula> (611)
C14H24N2O3

>  <MolWeight> (611)
268.35196

>  <Item Name> (611)
Ciclopirox ethanolamine

>  <Catalog Number> (611)
S3019 

>  <Synonyms> (611)
N/A

>  <Target> (611)
ATPase

>  <Form> (611)
Ethanolamine

>  <URL> (611)
http://www.selleckchem.com/products/ciclopirox-ethanolamine.html

>  <CAS Number> (611)
41621-49-2

$$$$
Bufexamac.cdx
csChFnd80/07171813002D

 16 16  0  0  0  0  0  0  0  0999 V2000
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HDAC 

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

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2438-72-4

$$$$
Lamotrigine.cdx
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Sodium Channel 

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Free Base

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>  <CAS Number> (613)
84057-84-1

$$$$
Piceatannol.cdx
csChFnd80/07171813002D

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Others

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Free Base

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

>  <CAS Number> (614)
10083-24-6

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/07171813002D

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C25H22N6O2

>  <MolWeight> (615)
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>  <Item Name> (615)
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S2791 

>  <Synonyms> (615)
N/A 

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PKC 

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Free Base

>  <URL> (615)
http://www.selleckchem.com/products/sotrastaurin-aeb071.html

>  <CAS Number> (615)
425637-18-9

$$$$
VU 0357121.cdx
csChFnd80/07171813002D

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VU 0357121
VU 0357121

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GluR 

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Free Base

>  <URL> (616)
http://www.selleckchem.com/products/vu-0357121.html

>  <CAS Number> (616)
433967-28-3

$$$$
Lonafarnib.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (617)
1198

>  <Formula> (617)
C27H31Br2ClN4O2

>  <MolWeight> (617)
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>  <Item Name> (617)
Lonafarnib (SCH66336)

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S2797

>  <Synonyms> (617)
N/A 

>  <Target> (617)
Transferase

>  <Form> (617)
Free Base

>  <URL> (617)
http://www.selleckchem.com/products/lonafarnib-sch66336.html

>  <CAS Number> (617)
193275-84-2

$$$$
Sirtinol.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (618)
1202

>  <Formula> (618)
C26H22N2O2

>  <MolWeight> (618)
394.46508

>  <Item Name> (618)
Sirtinol

>  <Catalog Number> (618)
S2804 

>  <Synonyms> (618)
N/A 

>  <Target> (618)
Sirtuin 

>  <Form> (618)
Free Base

>  <URL> (618)
http://www.selleckchem.com/products/sirtinol.html

>  <CAS Number> (618)
410536-97-9

$$$$
NVP-AEW541.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (619)
1205

>  <Formula> (619)
C27H29N5O

>  <MolWeight> (619)
439.55206

>  <Item Name> (619)
NVP-AEW541

>  <Catalog Number> (619)
S1034

>  <Synonyms> (619)
AEW541 

>  <Target> (619)
IGF-1R

>  <Form> (619)
Free Base

>  <URL> (619)
http://www.selleckchem.com/products/NVP-AEW541.html

>  <CAS Number> (619)
475489-16-8 

$$$$
Aminoglutethimide .cdx
csChFnd80/07171813002D

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>  <Mol_ID> (620)
1206

>  <Formula> (620)
C13H16N2O2

>  <MolWeight> (620)
232.27834

>  <Item Name> (620)
Aminoglutethimide (Cytadren)

>  <Catalog Number> (620)
S1672

>  <Synonyms> (620)
N/A

>  <Target> (620)
Aromatase

>  <Form> (620)
Free Base

>  <URL> (620)
http://www.selleckchem.com/products/Aminoglutethimide(Cytadren).html

>  <CAS Number> (620)
125-84-8

$$$$
VISUDYNE (verteporfin).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (629)
1218

>  <Formula> (629)
C24H26N6O2S

>  <MolWeight> (629)
462.56724

>  <Item Name> (629)
CEP33779

>  <Catalog Number> (629)
S2806 

>  <Synonyms> (629)
N/A

>  <Target> (629)
JAK

>  <Form> (629)
Free Base

>  <URL> (629)
http://www.selleckchem.com/products/cep33779.html

>  <CAS Number> (629)
1257704-57-6

$$$$
CI994.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (630)
1219

>  <Formula> (630)
C15H15N3O2

>  <MolWeight> (630)
269.2985

>  <Item Name> (630)
CI994 (Tacedinaline)

>  <Catalog Number> (630)
S2818 

>  <Synonyms> (630)
PD-123654 

>  <Target> (630)
HDAC

>  <Form> (630)
Free Base

>  <URL> (630)
http://www.selleckchem.com/products/ci994-tacedinaline.html

>  <CAS Number> (630)
112522-64-2

$$$$
Pravastatin sodium.cdx
csChFnd80/07171813002D

 32 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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M  END
>  <Mol_ID> (631)
1220

>  <Formula> (631)
C23H35NaO7

>  <MolWeight> (631)
446.50957

>  <Item Name> (631)
Pravastatin sodium

>  <Catalog Number> (631)
S3036

>  <Synonyms> (631)
Selektine 

>  <Target> (631)
HMG-CoA Reductase

>  <Form> (631)
Free Base

>  <URL> (631)
http://www.selleckchem.com/products/pravastatin-pravachol.html

>  <CAS Number> (631)
81131-70-6

$$$$
Daunomycin HCL.cdx
csChFnd80/07171813002D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (632)
1221

>  <Formula> (632)
C27H30ClNO10

>  <MolWeight> (632)
563.9808

>  <Item Name> (632)
Daunorubicin HCl (Daunomycin HCl)

>  <Catalog Number> (632)
S3035

>  <Synonyms> (632)
N/A 

>  <Target> (632)
Telomerase

>  <Form> (632)
Hydrochloride

>  <URL> (632)
http://www.selleckchem.com/products/daunorubicin-hcl-daunomycin-hcl.html

>  <CAS Number> (632)
23541-50-6

$$$$
NVP-TAE226.cdx
csChFnd80/07171813002D

 33 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (638)
1230

>  <Formula> (638)
C13H10N2O4

>  <MolWeight> (638)
258.2295

>  <Item Name> (638)
Thalidomide

>  <Catalog Number> (638)
S1193

>  <Synonyms> (638)
Thalomid 

>  <Target> (638)
E3 Ligase ,TNF-alpha

>  <Form> (638)
Free Base

>  <URL> (638)
http://www.selleckchem.com/products/Thalidomide.html

>  <CAS Number> (638)
50-35-1

$$$$
Finasteride.cdx
csChFnd80/07171813002D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    5.3326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.5870    9.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1518    8.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
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 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
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  9 20  1  1  0  0  0
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 17 22  1  1  0  0  0
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 22 24  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
  4 29  1  6  0  0  0
 10 30  1  6  0  0  0
 11 31  1  6  0  0  0
M  END
>  <Mol_ID> (639)
1231

>  <Formula> (639)
C23H36N2O2

>  <MolWeight> (639)
372.54414

>  <Item Name> (639)
Finasteride

>  <Catalog Number> (639)
S1197

>  <Synonyms> (639)
N/A 

>  <Target> (639)
5-alpha Reductase

>  <Form> (639)
Free Base

>  <URL> (639)
http://www.selleckchem.com/products/Finasteride.html

>  <CAS Number> (639)
98319-26-7

$$$$
Leucovorin Calcium.cdx
csChFnd80/07171813002D

 40 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.1765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.0691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6457    4.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6457    6.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    8.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    4.0691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    4.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    6.1765    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8624    6.8789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    8.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    8.9789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    6.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    6.1765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    6.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    6.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    6.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    8.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    8.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    8.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621    8.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5746    8.2813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7870    8.9813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9994    8.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2119    8.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4243    8.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7870   10.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9994   11.0813    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.4243    6.8813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6367    8.9813    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5746   11.0813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0184    3.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3184    2.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  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
  6  7  2  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  5  1  0  0  0  0
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 11 15  1  0  0  0  0
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 28 32  2  0  0  0  0
 28 33  1  0  0  0  0
 30 34  2  0  0  0  0
M  END
>  <Mol_ID> (640)
1235

>  <Formula> (640)
C20H31CaN7O12

>  <MolWeight> (640)
601.57784

>  <Item Name> (640)
Leucovorin Calcium Pentahydrate

>  <Catalog Number> (640)
S1236

>  <Synonyms> (640)
Calcium, Calcium Folinatc, Citrovorum Factor 

>  <Target> (640)
Others

>  <Form> (640)
Hydrate

>  <URL> (640)
http://www.selleckchem.com/products/Leucovorin-Calcium.html

>  <CAS Number> (640)
6035-45-6

$$$$
Rufinamide.cdx
csChFnd80/07171813002D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3571    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4446    1.7749    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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M  END
>  <Mol_ID> (641)
1236

>  <Formula> (641)
C10H8F2N4O

>  <MolWeight> (641)
238.1935264

>  <Item Name> (641)
Rufinamide (Banzel)

>  <Catalog Number> (641)
S1256

>  <Synonyms> (641)
Banzel 

>  <Target> (641)
Sodium Channel

>  <Form> (641)
Free Base

>  <URL> (641)
http://www.selleckchem.com/products/Rufinamide.html

>  <CAS Number> (641)
106308-44-5

$$$$
Tioxolone.cdx
csChFnd80/07171813002D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  5  6  2  0  0  0  0
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  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (642)
1240

>  <Formula> (642)
C7H4O3S

>  <MolWeight> (642)
168.16986

>  <Item Name> (642)
Tioxolone

>  <Catalog Number> (642)
S2603

>  <Synonyms> (642)
N/A 

>  <Target> (642)
Carbonic Anhydrase

>  <Form> (642)
Free Base

>  <URL> (642)
http://www.selleckchem.com/products/tioxolone.html

>  <CAS Number> (642)
4991-65-5

$$$$
ADX47273.cdx
csChFnd80/07171813002D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 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> (648)
1252

>  <Formula> (648)
C9H25NNaO8P2

>  <MolWeight> (648)
360.233992

>  <Item Name> (648)
Ibandronate sodium

>  <Catalog Number> (648)
S3148

>  <Synonyms> (648)
N/A 

>  <Target> (648)
Others

>  <Form> (648)
Sodium

>  <URL> (648)
http://www.selleckchem.com/products/ibandronate-sodium.html

>  <CAS Number> (648)
138926-19-9

$$$$
Estradiol Valerate.cdx
csChFnd80/07171813002D

 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
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    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    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
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    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0183    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  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> (649)
1253

>  <Formula> (649)
C23H32O3

>  <MolWeight> (649)
356.49838

>  <Item Name> (649)
Estradiol valerate

>  <Catalog Number> (649)
S3149

>  <Synonyms> (649)
N/A 

>  <Target> (649)
Estrogen/progestogen Receptor

>  <Form> (649)
Free Base

>  <URL> (649)
http://www.selleckchem.com/products/estradiol-valerate.html

>  <CAS Number> (649)
979-32-8

$$$$
Benztropine mesylate.cdx
csChFnd80/07171813002D

 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
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 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
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 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> (650)
1259

>  <Formula> (650)
C22H29NO4S

>  <MolWeight> (650)
403.53496

>  <Item Name> (650)
Benztropine mesylate

>  <Catalog Number> (650)
S3163

>  <Synonyms> (650)
N/A 

>  <Target> (650)
Histamine Receptor

>  <Form> (650)
Mesylate

>  <URL> (650)
http://www.selleckchem.com/products/benztropine-mesylate.html

>  <CAS Number> (650)
132-17-2

$$$$
L-Arginine hydrochloride.cdx
csChFnd80/07171813002D

 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> (651)
1260

>  <Formula> (651)
C6H15ClN4O2

>  <MolWeight> (651)
210.6619

>  <Item Name> (651)
L-Arginine HCl

>  <Catalog Number> (651)
S3174

>  <Synonyms> (651)
N/A 

>  <Target> (651)
NOS

>  <Form> (651)
HCl

>  <URL> (651)
http://www.selleckchem.com/products/l-Arginine-hydrochloride.html

>  <CAS Number> (651)
1119-34-2

$$$$
Brinzolamide.cdx
csChFnd80/07171813002D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.3834    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5958    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3048    6.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430    5.1368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6282    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    8.8406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0047    3.0431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9046    1.4844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  8 10  1  0  0  0  0
  1 14  2  0  0  0  0
  1 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 18 19  1  0  0  0  0
  2 16  1  0  0  0  0
 22 23  1  0  0  0  0
 21 22  1  0  0  0  0
  4 21  1  1  0  0  0
M  END
>  <Mol_ID> (652)
1262

>  <Formula> (652)
C12H21N3O5S3

>  <MolWeight> (652)
383.50724

>  <Item Name> (652)
Brinzolamide

>  <Catalog Number> (652)
S3178

>  <Synonyms> (652)
Azopt 

>  <Target> (652)
Carbonic Anhydrase

>  <Form> (652)
Free Base

>  <URL> (652)
http://www.selleckchem.com/products/brinzolamide.html

>  <CAS Number> (652)
138890-62-7

$$$$
Eletriptan hydrobromide.cdx
csChFnd80/07171813002D

 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
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  4  9  2  0  0  0  0
 10 11  1  0  0  0  0
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 15 16  1  0  0  0  0
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 22 23  1  0  0  0  0
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 22 27  1  0  0  0  0
 23 21  1  1  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (653)
1264

>  <Formula> (653)
C22H27BrN2O2S

>  <MolWeight> (653)
463.43098

>  <Item Name> (653)
Eletriptan HBr

>  <Catalog Number> (653)
S3180

>  <Synonyms> (653)
N/A 

>  <Target> (653)
5-HT Receptor

>  <Form> (653)
HBr

>  <URL> (653)
http://www.selleckchem.com/products/eletriptan-hydrobromide.html

>  <CAS Number> (653)
177834-92-3

$$$$
Flumequine.cdx
csChFnd80/07171813002D

 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
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    6.0611    4.9017    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  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
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  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> (654)
1265

>  <Formula> (654)
C14H12FNO3

>  <MolWeight> (654)
261.2483832

>  <Item Name> (654)
Flumequine

>  <Catalog Number> (654)
S3181

>  <Synonyms> (654)
N/A 

>  <Target> (654)
Topoisomerase

>  <Form> (654)
Free Base

>  <URL> (654)
http://www.selleckchem.com/products/flumequine.html

>  <CAS Number> (654)
42835-25-6

$$$$
Trifluoperazine dihydrochloride.cdx
csChFnd80/07171813002D

 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
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 25 28  1  0  0  0  0
 21 22  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (655)
1268

>  <Formula> (655)
C21H26Cl2F3N3S

>  <MolWeight> (655)
480.4174496

>  <Item Name> (655)
Trifluoperazine 2HCl

>  <Catalog Number> (655)
S3201

>  <Synonyms> (655)
 N/A 

>  <Target> (655)
Dopamine Receptor

>  <Form> (655)
Dihydrochlorid

>  <URL> (655)
http://www.selleckchem.com/products/trifluoperazine-dihydrochloride.html

>  <CAS Number> (655)
440-17-5

$$$$
Adrenalone hydrochloride.cdx
csChFnd80/07171813002D

 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
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 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> (656)
1270

>  <Formula> (656)
C9H12ClNO3

>  <MolWeight> (656)
217.64948

>  <Item Name> (656)
Adrenalone HCl

>  <Catalog Number> (656)
S3185

>  <Synonyms> (656)
N/A 

>  <Target> (656)
Adrenergic Receptor

>  <Form> (656)
hydrochloride

>  <URL> (656)
http://www.selleckchem.com/products/adrenalone-hcl.html

>  <CAS Number> (656)
62-13-5

$$$$
Triflusal.cdx
csChFnd80/07171813002D

 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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    5.4124    6.0622    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  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
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  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
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 10 13  1  0  0  0  0
  5 10  1  0  0  0  0
 15 16  2  0  0  0  0
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 14 15  1  0  0  0  0
  3 14  1  0  0  0  0
M  END
>  <Mol_ID> (657)
1273

>  <Formula> (657)
C10H7F3O4

>  <MolWeight> (657)
248.1553896

>  <Item Name> (657)
Triflusal

>  <Catalog Number> (657)
S3200

>  <Synonyms> (657)
N/A 

>  <Target> (657)
COX

>  <Form> (657)
Free Base

>  <URL> (657)
http://www.selleckchem.com/products/triflusal.html

>  <CAS Number> (657)
322-79-2

$$$$
AZD 6482.cdx
csChFnd80/07171813002D

 30 33  0  0  0  0  0  0  0  0999 V2000
   10.9119    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
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   12.1244    2.1000    0.0000 O   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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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (658)
1276

>  <Formula> (658)
C22H24N4O4

>  <MolWeight> (658)
408.45036

>  <Item Name> (658)
AZD6482

>  <Catalog Number> (658)
S1462

>  <Synonyms> (658)
N/A 

>  <Target> (658)
PI3K

>  <Form> (658)
Free Base

>  <URL> (658)
http://www.selleckchem.com/products/azd6482.html

>  <CAS Number> (658)
1173900-33-8

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/07171813002D

 32 36  0  0  0  0  0  0  0  0999 V2000
    8.4446    7.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    6.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6570    5.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8694    6.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8694    7.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6570    8.6737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    8.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    7.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    6.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    5.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9148    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0611    0.2911    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1305    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1937    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    7.9660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    8.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    7.0447    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3243    6.0043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 10  2  1  0  0  0  0
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 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
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 31 12  2  0  0  0  0
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M  END
>  <Mol_ID> (659)
1277

>  <Formula> (659)
C22H19ClN6O2S

>  <MolWeight> (659)
466.94326

>  <Item Name> (659)
Varlitinib

>  <Catalog Number> (659)
S2755

>  <Synonyms> (659)
ARRY334543

>  <Target> (659)
EGFR

>  <Form> (659)
Free Base

>  <URL> (659)
http://www.selleckchem.com/products/arry334543.html

>  <CAS Number> (659)
845272-21-1

$$$$
Xylazine HCl.cdx
csChFnd80/07171813002D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    1.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    3.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    1.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.5184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (660)
1278

>  <Formula> (660)
C12H17ClN2S

>  <MolWeight> (660)
256.79478

>  <Item Name> (660)
Xylazine HCl

>  <Catalog Number> (660)
S2516

>  <Synonyms> (660)
N/A 

>  <Target> (660)
Adrenergic Receptor

>  <Form> (660)
Hydrochloride

>  <URL> (660)
http://www.selleckchem.com/products/Xylazine(Rompun).html

>  <CAS Number> (660)
23076-35-9

$$$$
Fexofenadine HCl.cdx
csChFnd80/07171813002D

 38 40  0  0  0  0  0  0  0  0999 V2000
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    7.2662    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  8  1  0  0  0  0
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 20  9  1  0  0  0  0
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 33 37  2  0  0  0  0
M  END
>  <Mol_ID> (661)
1280

>  <Formula> (661)
C32H40ClNO4

>  <MolWeight> (661)
538.1173

>  <Item Name> (661)
Fexofenadine HCl

>  <Catalog Number> (661)
S3208

>  <Synonyms> (661)
N/A 

>  <Target> (661)
Histamine Receptor

>  <Form> (661)
hydrochloride

>  <URL> (661)
http://www.selleckchem.com/products/fexofenadine-hcl.html

>  <CAS Number> (661)
153439-40-8

$$$$
Thiamine hydrochloride.cdx
csChFnd80/07171813002D

 20 19  0  0  0  0  0  0  0  0999 V2000
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    7.9728    3.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7957    2.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1881    2.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (662)
1282

>  <Formula> (662)
C12H18Cl2N4OS

>  <MolWeight> (662)
337.26852

>  <Item Name> (662)
Thiamine HCl (Vitamin B1)

>  <Catalog Number> (662)
S3211

>  <Synonyms> (662)
N/A

>  <Target> (662)
Vitamin

>  <Form> (662)
Hydrochloride

>  <URL> (662)
http://www.selleckchem.com/products/thiamine-hcl-vitamin-b1.html

>  <CAS Number> (662)
67-03-8

$$$$
Moclobemide.cdx
csChFnd80/07171813002D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   10.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (663)
1283

>  <Formula> (663)
C13H17ClN2O2

>  <MolWeight> (663)
268.73928

>  <Item Name> (663)
Moclobemide (Ro 111163)

>  <Catalog Number> (663)
S3212

>  <Synonyms> (663)
N/A 

>  <Target> (663)
MAO

>  <Form> (663)
Free Base

>  <URL> (663)
http://www.selleckchem.com/products/moclobemide.html

>  <CAS Number> (663)
71320-77-9

$$$$
Tideglusib.cdx
csChFnd80/07171813002D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    4.2000    1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3544    2.2229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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$$$$
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Indomethacin Morpholinylamide 

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Cannabinoid Receptor

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Free Base

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http://www.selleckchem.com/products/bml-190.html

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2854-32-2

$$$$
Semaxanib.cdx
csChFnd80/07171813002D

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N/A 

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VEGFR

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Free Base

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http://www.selleckchem.com/products/semaxanib-su5416.html

>  <CAS Number> (669)
194413-58-6

$$$$
SAR131675.cdx
csChFnd80/07171813002D

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>  <Target> (670)
VEGFR

>  <Form> (670)
Free Base

>  <URL> (670)
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>  <CAS Number> (670)
N/A

$$$$
Equol.cdx
csChFnd80/07171813002D

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N/A 

>  <Target> (671)
Estrogen/progestogen Receptor

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Free Base

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

>  <CAS Number> (671)
531-95-3

$$$$
AM251.cdx
csChFnd80/07171813002D

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>  <Target> (672)
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>  <Form> (672)
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>  <URL> (672)
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>  <CAS Number> (672)
183232-66-8

$$$$
Otilonium Bromide.cdx
csChFnd80/07171813002D

 36 36  0  0  0  0  0  0  0  0999 V2000
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Otilonium Bromide

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N/A

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AChR

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quaternary-N bromide salt

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http://www.selleckchem.com/products/otilonium-bromide.html

>  <CAS Number> (673)
26095-59-0

$$$$
IMD0354.cdx
csChFnd80/07171813002D

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IKK

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Free Base

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http://www.selleckchem.com/products/imd-0354.html

>  <CAS Number> (674)
978-62-1

$$$$
ML130.cdx
csChFnd80/07171813002D

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NOD1

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>  <URL> (675)
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>  <CAS Number> (675)
799264-47-4

$$$$
T0070907.cdx
csChFnd80/07171813002D

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PPAR

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Free Base

>  <URL> (676)
http://www.selleckchem.com/products/t0070907.html

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313516-66-4

$$$$
E7050.cdx
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>  <Mol_ID> (677)
1308

>  <Formula> (677)
C33H37F2N7O4

>  <MolWeight> (677)
633.6881864

>  <Item Name> (677)
Golvatinib (E7050) 

>  <Catalog Number> (677)
S2859

>  <Synonyms> (677)
E7050

>  <Target> (677)
c-Met, VEGFR

>  <Form> (677)
Free Base

>  <URL> (677)
http://www.selleckchem.com/products/golvatinib-e7050.html

>  <CAS Number> (677)
928037-13-2

$$$$
WHI-P154.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (678)
1310

>  <Formula> (678)
C16H14BrN3O3

>  <MolWeight> (678)
376.20466

>  <Item Name> (678)
WHI-P154

>  <Catalog Number> (678)
S2867

>  <Synonyms> (678)
N/A

>  <Target> (678)
JAK, EGFR

>  <Form> (678)
Free Base

>  <URL> (678)
http://www.selleckchem.com/products/whi-p154.html

>  <CAS Number> (678)
211555-04-3

$$$$
Azelnidipine.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (679)
1313

>  <Formula> (679)
C33H34N4O6

>  <MolWeight> (679)
582.64626

>  <Item Name> (679)
Azelnidipine

>  <Catalog Number> (679)
S3053

>  <Synonyms> (679)
N/A

>  <Target> (679)
Calcium Channel

>  <Form> (679)
Free Base

>  <URL> (679)
http://www.selleckchem.com/products/azelnidipine.html

>  <CAS Number> (679)
123524-52-7

$$$$
Solifenacin succinate.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (680)
1314

>  <Formula> (680)
C27H32N2O6

>  <MolWeight> (680)
480.55278

>  <Item Name> (680)
Solifenacin succinate

>  <Catalog Number> (680)
S3048

>  <Synonyms> (680)
N/A

>  <Target> (680)
AChR

>  <Form> (680)
Succinate

>  <URL> (680)
http://www.selleckchem.com/products/solifenacin-succinate.html

>  <CAS Number> (680)
242478-38-2

$$$$
Forskolin.cdx
csChFnd80/07171813002D

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1316

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C22H34O7

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Forskolin

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Coleonol

>  <Target> (681)
cAMP

>  <Form> (681)
Free Base

>  <URL> (681)
http://www.selleckchem.com/products/forskolin.html

>  <CAS Number> (681)
66575-29-9

$$$$
Enrofloxacin.cdx
csChFnd80/07171813002D

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1320

>  <Formula> (682)
C19H22FN3O3

>  <MolWeight> (682)
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>  <Item Name> (682)
Enrofloxacin

>  <Catalog Number> (682)
S3059

>  <Synonyms> (682)
N/A

>  <Target> (682)
Antifection

>  <Form> (682)
Free Base

>  <URL> (682)
http://www.selleckchem.com/products/enrofloxacin.html

>  <CAS Number> (682)
93106-60-6

$$$$
Hypoxanthine.cdx
csChFnd80/07171813002D

 10 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (683)
1323

>  <Formula> (683)
C5H4N4O

>  <MolWeight> (683)
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>  <Item Name> (683)
Hypoxanthine

>  <Catalog Number> (683)
S2424

>  <Synonyms> (683)
N/A

>  <Target> (683)
Others

>  <Form> (683)
Free Base

>  <URL> (683)
http://www.selleckchem.com/products/hypoxanthine.html

>  <CAS Number> (683)
68-94-0

$$$$
(R)-baclofen.cdx
csChFnd80/07171813002D

 14 14  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (684)
1329

>  <Formula> (684)
C10H12ClNO2

>  <MolWeight> (684)
213.66078

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(R)-baclofen

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S3072

>  <Synonyms> (684)
N/A

>  <Target> (684)
GABA Receptor

>  <Form> (684)
Free Base

>  <URL> (684)
http://www.selleckchem.com/products/r-baclofen.html

>  <CAS Number> (684)
69308-37-8

$$$$
Dexmedetomidine.cdx
csChFnd80/07171813002D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (685)
1330

>  <Formula> (685)
C13H16N2

>  <MolWeight> (685)
200.27954

>  <Item Name> (685)
Dexmedetomidine

>  <Catalog Number> (685)
S3075

>  <Synonyms> (685)
N/A

>  <Target> (685)
Adrenergic Receptor

>  <Form> (685)
Free Base

>  <URL> (685)
http://www.selleckchem.com/products/dexmedetomidine.html

>  <CAS Number> (685)
113775-47-6

$$$$
untitled.cdx
csChFnd80/07171813002D

 27 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (686)
1333

>  <Formula> (686)
C21H46NO4P

>  <MolWeight> (686)
407.568001

>  <Item Name> (686)
Miltefosine (Hexadecylphosphocholine)

>  <Catalog Number> (686)
S3056

>  <Synonyms> (686)
N/A

>  <Target> (686)
Akt

>  <Form> (686)
Free Base

>  <URL> (686)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

>  <CAS Number> (686)
58066-85-6

$$$$
Schisandrin B.cdx
csChFnd80/07171813002D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (687)
1335

>  <Formula> (687)
C23H28O6

>  <MolWeight> (687)
400.46482

>  <Item Name> (687)
Schisandrin B

>  <Catalog Number> (687)
S3600

>  <Synonyms> (687)
N/A

>  <Target> (687)
Others

>  <Form> (687)
Free Base

>  <URL> (687)
http://www.selleckchem.com/products/schisandrin-b.html

>  <CAS Number> (687)
61281-37-6

$$$$
Gambogic acid.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (688)
1336

>  <Formula> (688)
C38H44O8

>  <MolWeight> (688)
628.75116

>  <Item Name> (688)
Gambogic Acid

>  <Catalog Number> (688)
S2448

>  <Synonyms> (688)
N/A

>  <Target> (688)
Bcl-2,Caspase

>  <Form> (688)
Free Base

>  <URL> (688)
http://www.selleckchem.com/products/gambogic-acid.html

>  <CAS Number> (688)
2752-65-0

$$$$
etravirine (TMC125).cdx
csChFnd80/07171813002D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (689)
1338

>  <Formula> (689)
C20H15BrN6O

>  <MolWeight> (689)
435.2767

>  <Item Name> (689)
Etravirine (TMC125)

>  <Catalog Number> (689)
S3080

>  <Synonyms> (689)
N/A

>  <Target> (689)
Reverse Transcriptase

>  <Form> (689)
Free Base

>  <URL> (689)
http://www.selleckchem.com/products/etravirine-tmc125.html

>  <CAS Number> (689)
269055-15-4

$$$$
U-104.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (690)
1339

>  <Formula> (690)
C13H12FN3O3S

>  <MolWeight> (690)
309.3160832

>  <Item Name> (690)
U-104

>  <Catalog Number> (690)
S2866

>  <Synonyms> (690)
N/A

>  <Target> (690)
Carbonic Anhydrase

>  <Form> (690)
Free Base

>  <URL> (690)
http://www.selleckchem.com/products/u-104.html

>  <CAS Number> (690)
178606-66-1

$$$$
Rupatadine fumarate.cdx
csChFnd80/07171813002D

 38 41  0  0  0  0  0  0  0  0999 V2000
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Rupatadine Fumarate

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S3052

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N/A

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Histamine Receptor

>  <Form> (691)
Fumarate

>  <URL> (691)
http://www.selleckchem.com/products/rupatadine-fumarate.html

>  <CAS Number> (691)
182349-12-8

$$$$
GW4064.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (692)
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>  <Formula> (692)
C28H22Cl3NO4

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GW 4064

>  <Catalog Number> (692)
S2782

>  <Synonyms> (692)
N/A

>  <Target> (692)
FXR

>  <Form> (692)
Free Base

>  <URL> (692)
http://www.selleckchem.com/products/gw-4064.html

>  <CAS Number> (692)
278779-30-9

$$$$
VU 0364770.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (693)
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>  <Formula> (693)
C12H9ClN2O

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S2862

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GluR

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Free Base

>  <URL> (693)
http://www.selleckchem.com/products/vu-0364770.html

>  <CAS Number> (693)
61350-00-3

$$$$
L-NAME HCl.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (694)
1347

>  <Formula> (694)
C7H16ClN5O4

>  <MolWeight> (694)
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>  <Item Name> (694)
L-NAME HCl

>  <Catalog Number> (694)
S2877

>  <Synonyms> (694)
N/A

>  <Target> (694)
NOS

>  <Form> (694)
Hydrochloride

>  <URL> (694)
http://www.selleckchem.com/products/l-name-hcl.html

>  <CAS Number> (694)
51298-62-5

$$$$
Ambroxol HCl.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (695)
1348

>  <Formula> (695)
C13H19Br2ClN2O

>  <MolWeight> (695)
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>  <Item Name> (695)
Ambroxol HCl

>  <Catalog Number> (695)
S3064

>  <Synonyms> (695)
N/A

>  <Target> (695)
Sodium Channel

>  <Form> (695)
Hydrochloride

>  <URL> (695)
http://www.selleckchem.com/products/ambroxol-hcl.html

>  <CAS Number> (695)
23828-92-4

$$$$
IEM 1754 dihydrobroMide.cdx
csChFnd80/07171813002D

 20 20  0  0  0  0  0  0  0  0999 V2000
    8.8488    0.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0613    1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6106    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0106    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.0152    1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8231    2.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4395    1.8350    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (696)
1349

>  <Formula> (696)
C16H32Br2N2

>  <MolWeight> (696)
412.24668

>  <Item Name> (696)
IEM 1754 dihydrobroMide

>  <Catalog Number> (696)
S2860

>  <Synonyms> (696)
N/A

>  <Target> (696)
5-HT Receptor

>  <Form> (696)
DihydrobroMide

>  <URL> (696)
http://www.selleckchem.com/products/iem-1754-dihydrobromide.html

>  <CAS Number> (696)
162831-31-4

$$$$
IKK-16.cdx
csChFnd80/07171813002D

 35 40  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0  0  0  0
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 10 17  1  0  0  0  0
  4  7  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (697)
1351

>  <Formula> (697)
C28H29N5OS

>  <MolWeight> (697)
483.62776

>  <Item Name> (697)
IKK-16

>  <Catalog Number> (697)
S2882

>  <Synonyms> (697)
N/A

>  <Target> (697)
IKK

>  <Form> (697)
Free Base

>  <URL> (697)
http://www.selleckchem.com/products/ikk-16.html

>  <CAS Number> (697)
873225-46-8

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/07171813002D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (698)
1352

>  <Formula> (698)
C18H21N5O2

>  <MolWeight> (698)
339.39164

>  <Item Name> (698)
Alogliptin£¨SYR-322£©

>  <Catalog Number> (698)
S2868

>  <Synonyms> (698)
N/A

>  <Target> (698)
DPP-4

>  <Form> (698)
Free Base

>  <URL> (698)
http://www.selleckchem.com/products/alogliptin-syr-322.html

>  <CAS Number> (698)
850649-61-5

$$$$
Indacaterol Maleate.cdx
csChFnd80/07171813002D

 37 39  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
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 30 31  1  0  0  0  0
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M  END
>  <Mol_ID> (699)
1353

>  <Formula> (699)
C28H32N2O7

>  <MolWeight> (699)
508.56288

>  <Item Name> (699)
Indacaterol Maleate

>  <Catalog Number> (699)
S3083

>  <Synonyms> (699)
N/A

>  <Target> (699)
Adrenergic Receptor

>  <Form> (699)
Maleate

>  <URL> (699)
http://www.selleckchem.com/products/indacaterol-maleate.html

>  <CAS Number> (699)
753498-25-8

$$$$
Hygromycin B.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (700)
1355

>  <Formula> (700)
C20H37N3O13

>  <MolWeight> (700)
527.52008

>  <Item Name> (700)
Hygromycin B

>  <Catalog Number> (700)
S2908

>  <Synonyms> (700)
N/A

>  <Target> (700)
Antifection

>  <Form> (700)
Free Base

>  <URL> (700)
http://www.selleckchem.com/products/hygromycin-b.html

>  <CAS Number> (700)
31282-04-9

$$$$
Betulinic acid.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (701)
1356

>  <Formula> (701)
C30H48O3

>  <MolWeight> (701)
456.70032

>  <Item Name> (701)
Betulinic acid

>  <Catalog Number> (701)
S3603

>  <Target> (701)
N/A

>  <Form> (701)
Free Base

>  <URL> (701)
http://www.selleckchem.com/products/betulinic-acid.html

>  <CAS Number> (701)
472-15-1

$$$$
PF-562271.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (702)
1358

>  <Formula> (702)
C21H20F3N7O3S

>  <MolWeight> (702)
507.4888096

>  <Item Name> (702)
PF-562271

>  <Catalog Number> (702)
S2890

>  <Synonyms> (702)
N/A

>  <Form> (702)
Free Base

>  <URL> (702)
http://www.selleckchem.com/products/pf-562271.html

>  <CAS Number> (702)
717907-75-0

$$$$
Pirfenidone.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (703)
1360

>  <Formula> (703)
C12H11NO

>  <MolWeight> (703)
185.22184

>  <Item Name> (703)
Pirfenidone

>  <Catalog Number> (703)
S2907

>  <Synonyms> (703)
N/A

>  <Target> (703)
TGF-beta/Smad

>  <Form> (703)
Free Base

>  <URL> (703)
http://www.selleckchem.com/products/pirfenidone.html

>  <CAS Number> (703)
53179-13-8

$$$$
VU 0361737.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (709)
1370

>  <Formula> (709)
C16H13ClFN3O2

>  <MolWeight> (709)
333.7447232

>  <Item Name> (709)
ZM 306416

>  <Catalog Number> (709)
S2897

>  <Synonyms> (709)
N/A

>  <Target> (709)
VEGFR

>  <Form> (709)
Free Base

>  <URL> (709)
http://www.selleckchem.com/products/zm-306416.html

>  <CAS Number> (709)
690206-97-4

$$$$
S-Ruxolitinib.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (710)
1372

>  <Formula> (710)
C17H18N6

>  <MolWeight> (710)
306.36502

>  <Item Name> (710)
S-Ruxolitinib

>  <Catalog Number> (710)
S2902

>  <Synonyms> (710)
N/A

>  <Target> (710)
JAK

>  <Form> (710)
Free Base

>  <URL> (710)
http://www.selleckchem.com/products/s-ruxolitinib.html

>  <CAS Number> (710)
941685-37-6

$$$$
Lumiracoxib.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (711)
1373

>  <Formula> (711)
C15H13ClFNO2

>  <MolWeight> (711)
293.7206232

>  <Item Name> (711)
Lumiracoxib (COX-189)

>  <Catalog Number> (711)
S2903

>  <Synonyms> (711)
N/A

>  <Target> (711)
COX

>  <Form> (711)
Free Base

>  <URL> (711)
http://www.selleckchem.com/products/lumiracoxib-cox-189.html

>  <CAS Number> (711)
220991-20-8

$$$$
G-418 sulphate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (712)
1376

>  <Formula> (712)
C20H44N4O18S2

>  <MolWeight> (712)
692.70936

>  <Item Name> (712)
Geneticin (G418 Sulfate)

>  <Catalog Number> (712)
S3028

>  <Synonyms> (712)
N/A

>  <Target> (712)
Antifection

>  <Form> (712)
Disulfate

>  <URL> (712)
http://www.selleckchem.com/products/geneticin-g418-sulfate.html

>  <CAS Number> (712)
108321-42-2

$$$$
ABILIFY (aripiprazole).cdx
csChFnd80/07171813002D

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 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> (713)
1378

>  <Formula> (713)
C23H27Cl2N3O2

>  <MolWeight> (713)
448.38538

>  <Item Name> (713)
Aripiprazole (Abilify)

>  <Catalog Number> (713)
S1975

>  <Synonyms> (713)
N/A

>  <Target> (713)
5-HT Receptor

>  <Form> (713)
Free Base

>  <URL> (713)
http://www.selleckchem.com/products/aripiprazole-abilify.html

>  <CAS Number> (713)
129722-12-9

$$$$
Duloxetine hydrochloride.cdx
csChFnd80/07171813002D

 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
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    0.0000    2.9107    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
  3 11  1  0  0  0  0
 12 11  1  1  0  0  0
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 14 15  1  0  0  0  0
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 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (714)
1379

>  <Formula> (714)
C18H20ClNOS

>  <MolWeight> (714)
333.8755

>  <Item Name> (714)
Duloxetine HCl (Cymbalta)

>  <Catalog Number> (714)
S2084

>  <Synonyms> (714)
N/A

>  <Target> (714)
5-HT Receptor

>  <Form> (714)
HCl

>  <URL> (714)
http://www.selleckchem.com/products/duloxetine-hcl-cymbalta.html

>  <CAS Number> (714)
136434-34-9

$$$$
Almotriptan malate.cdx
csChFnd80/07171813002D

 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
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    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
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   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> (715)
1380

>  <Formula> (715)
C21H31N3O7S

>  <MolWeight> (715)
469.55174

>  <Item Name> (715)
Almotriptan malate (Axert)

>  <Catalog Number> (715)
S2096

>  <Synonyms> (715)
N/A

>  <Target> (715)
5-HT Receptor

>  <Form> (715)
Malate

>  <URL> (715)
http://www.selleckchem.com/products/almotriptan-malate-axert.html

>  <CAS Number> (715)
181183-52-8

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/07171813002D

 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
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    3.3668    3.5170    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  7  1  6  0  0  0
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  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
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 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
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 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> (716)
1383

>  <Formula> (716)
C19H21ClFNO3

>  <MolWeight> (716)
365.8263432

>  <Item Name> (716)
Paroxetine HCl

>  <Catalog Number> (716)
S3005

>  <Synonyms> (716)
N/A

>  <Target> (716)
5-HT Receptor

>  <Form> (716)
Hydrochloride

>  <URL> (716)
http://www.selleckchem.com/products/paroxetine-hcl.html

>  <CAS Number> (716)
78246-49-8

$$$$
Ivabradine hydrocloride.cdx
csChFnd80/07171813002D

 35 37  0  0  0  0  0  0  0  0999 V2000
    8.0762   17.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0762   15.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2886   14.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5011   15.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5011   17.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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    3.3241    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  3  1  0  0  0  0
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 29 23  1  0  0  0  0
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 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 25 34  2  0  0  0  0
M  END
>  <Mol_ID> (717)
1385

>  <Formula> (717)
C27H37ClN2O5

>  <MolWeight> (717)
505.04608

>  <Item Name> (717)
Ivabradine HCl (Procoralan)

>  <Catalog Number> (717)
S2086

>  <Synonyms> (717)
N/A

>  <Target> (717)
Adrenergic Receptor

>  <Form> (717)
HCl

>  <URL> (717)
http://www.selleckchem.com/products/ivabradine-hcl-procoralan.html

>  <CAS Number> (717)
148849-67-6

$$$$
Betaxolol.cdx
csChFnd80/07171813002D

 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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   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
    4.7124    3.6289    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
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M  END
>  <Mol_ID> (718)
1386

>  <Formula> (718)
C18H29NO3

>  <MolWeight> (718)
307.42776

>  <Item Name> (718)
Betaxolol (Betoptic)

>  <Catalog Number> (718)
S2091

>  <Synonyms> (718)
N/A

>  <Target> (718)
Adrenergic Receptor

>  <Form> (718)
Free Base

>  <URL> (718)
http://www.selleckchem.com/products/betaxolol-betoptic.html

>  <CAS Number> (718)
659-18-7

$$$$
Detomidine hydrochloride.cdx
csChFnd80/07171813002D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.6322    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8446    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 10  2  0  0  0  0
M  END
>  <Mol_ID> (719)
1387

>  <Formula> (719)
C12H15ClN2

>  <MolWeight> (719)
222.7139

>  <Item Name> (719)
Detomidine HCl

>  <Catalog Number> (719)
S2092

>  <Synonyms> (719)
N/A

>  <Target> (719)
Adrenergic Receptor

>  <Form> (719)
HCl

>  <URL> (719)
http://www.selleckchem.com/products/detomidine-hcl.html

>  <CAS Number> (719)
90038-01-0

$$$$
Cisatracurium besylate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (720)
1388

>  <Formula> (720)
C65H82N2O18S2

>  <MolWeight> (720)
1243.47918

>  <Item Name> (720)
Cisatracurium besylate (Nimbex)

>  <Catalog Number> (720)
S2113

>  <Synonyms> (720)
N/A

>  <Target> (720)
Adrenergic Receptor

>  <Form> (720)
Besylate

>  <URL> (720)
http://www.selleckchem.com/products/cisatracurium-besylate-nimbex.html

>  <CAS Number> (720)
96946-42-8

$$$$
Trimebutine.cdx
csChFnd80/07171813002D

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Opioid Receptor

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39133-31-8

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Chk

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952021-60-2

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PKC

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133053-19-7

$$$$
Dapivirine.cdx
csChFnd80/07171813002D

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244767-67-7

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Icotinib

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S2922

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BPI-2009H 

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EGFR

>  <Form> (729)
Free Base

>  <URL> (729)
http://www.selleckchem.com/products/icotinib.html

>  <CAS Number> (729)
610798-31-7

$$$$
TAK 715.cdx
csChFnd80/07171813002D

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1406

>  <Formula> (730)
C24H21N3OS

>  <MolWeight> (730)
399.50804

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TAK 715

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S2928

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N/A 

>  <Target> (730)
p38 MAPK

>  <Form> (730)
Free Base

>  <URL> (730)
http://www.selleckchem.com/products/tak-715.html

>  <CAS Number> (730)
303162-79-0

$$$$
TDZD-8.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (731)
1407

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C10H10N2O2S

>  <MolWeight> (731)
222.2636

>  <Item Name> (731)
TDZD-8

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S2926

>  <Synonyms> (731)
N/A

>  <Target> (731)
GSK-3

>  <Form> (731)
Free Base

>  <URL> (731)
http://www.selleckchem.com/products/tdzd-8.html

>  <CAS Number> (731)
327036-89-5 

$$$$
Fluvoxamine maleate.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (732)
1410

>  <Formula> (732)
C19H25F3N2O6

>  <MolWeight> (732)
434.4068096

>  <Item Name> (732)
Fluvoxamine maleate

>  <Catalog Number> (732)
S1336

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Luvox

>  <Target> (732)
5-HT Receptor

>  <Form> (732)
Maleate

>  <URL> (732)
http://www.selleckchem.com/products/Fluvoxamine-maleate.html

>  <CAS Number> (732)
61718-82-9

$$$$
Oxcarbazepine.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (733)
1411

>  <Formula> (733)
C15H12N2O2

>  <MolWeight> (733)
252.26798

>  <Item Name> (733)
Oxcarbazepine

>  <Catalog Number> (733)
S1391

>  <Synonyms> (733)
Trileptal

>  <Target> (733)
Sodium Channel

>  <Form> (733)
Free Base

>  <URL> (733)
http://www.selleckchem.com/products/Oxcarbazepine.html

>  <CAS Number> (733)
28721-07-5

$$$$
H-89.cdx
csChFnd80/07171813002D

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 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (734)
1417

>  <Formula> (734)
C20H22BrCl2N3O2S

>  <MolWeight> (734)
519.28258

>  <Item Name> (734)
H 89 2HCl

>  <Catalog Number> (734)
S1582

>  <Synonyms> (734)
N/A

>  <Target> (734)
S6 Kinase

>  <Form> (734)
Dihydrochloride

>  <URL> (734)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

>  <CAS Number> (734)
130964-39-5

$$$$
Tizanidine hydrochloride.cdx
csChFnd80/07171813002D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    0.0000    5.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3678    4.6342    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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
 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 12  2  0  0  0  0
M  END
>  <Mol_ID> (735)
1423

>  <Formula> (735)
C9H9Cl2N5S

>  <MolWeight> (735)
290.17226

>  <Item Name> (735)
Tizanidine HCl

>  <Catalog Number> (735)
S1437

>  <Synonyms> (735)
Zanaflex, Sirdalud

>  <Target> (735)
Adrenergic Receptor

>  <Form> (735)
Hydrochloride

>  <URL> (735)
http://www.selleckchem.com/products/Tizanidine-hydrochloride.html

>  <CAS Number> (735)
64461-82-1

$$$$
Calcifediol.cdx
csChFnd80/07171813002D

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4952   14.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7805   13.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 19 13  1  0  0  0  0
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 13 30  1  1  0  0  0
 19 31  1  6  0  0  0
M  END
>  <Mol_ID> (736)
1425

>  <Formula> (736)
C27H44O2

>  <MolWeight> (736)
400.63706

>  <Item Name> (736)
Calcifediol

>  <Catalog Number> (736)
S1469

>  <Synonyms> (736)
Calcidiol, Didrogyl, Hidroferol

>  <Target> (736)
Vitamin

>  <Form> (736)
Free Base

>  <URL> (736)
http://www.selleckchem.com/products/Calcifediol.html

>  <CAS Number> (736)
19356-17-3

$$$$
Linezolid.cdx
csChFnd80/07171813002D

 35 37  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 15 19  2  0  0  0  0
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 23 15  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
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 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 30 35  2  0  0  0  0
M  END
>  <Mol_ID> (737)
1427

>  <Formula> (737)
C23H23N7O5

>  <MolWeight> (737)
477.47262

>  <Item Name> (737)
Pralatrexate(Folotyn)

>  <Catalog Number> (737)
S1497

>  <Synonyms> (737)
Folotyn

>  <Target> (737)
DHFR

>  <Form> (737)
Free Base

>  <URL> (737)
http://www.selleckchem.com/products/Pralatrexate(Folotyn).html

>  <CAS Number> (737)
146464-95-1

$$$$
DEPEN (penicillamine).cdx
csChFnd80/07171813002D

  9  8  0  0  0  0  0  0  0  0999 V2000
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    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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  3  4  1  0  0  0  0
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  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  6  0  0  0
M  END
>  <Mol_ID> (738)
1430

>  <Formula> (738)
C5H11NO2S

>  <MolWeight> (738)
149.21134

>  <Item Name> (738)
Penicillamine (Cuprimine)

>  <Catalog Number> (738)
S1853

>  <Synonyms> (738)
Depen, Distamine, D-Mercaptovaline, D-Penamine, Kuprenil

>  <Target> (738)
Others

>  <Form> (738)
Free Base

>  <URL> (738)
http://www.selleckchem.com/products/Penicillamine(Cuprimine).html

>  <CAS Number> (738)
52-67-5

$$$$
Sarafloxacin hydrochloride.cdx
csChFnd80/07171813002D

 29 31  0  0  0  0  0  0  0  0999 V2000
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    7.2662    8.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 17  1  0  0  0  0
  6 18  2  0  0  0  0
  1 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  3 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
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (739)
1440

>  <Formula> (739)
C20H18ClF2N3O3

>  <MolWeight> (739)
421.8250264

>  <Item Name> (739)
Sarafloxacin HCl

>  <Catalog Number> (739)
S1977

>  <Synonyms> (739)
N/A

>  <Target> (739)
Antifection

>  <Form> (739)
Hydrochloride

>  <URL> (739)
http://www.selleckchem.com/products/sarafloxacin-hydrochloride.html

>  <CAS Number> (739)
91296-87-6

$$$$
Flunarizine dihydrochloride.cdx
csChFnd80/07171813002D

 32 33  0  0  0  0  0  0  0  0999 V2000
   10.1504    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1504    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3629    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5753    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5753    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3629    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5711    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5711    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9960    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9960    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2042    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4166    7.6879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2042    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6248    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8331    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0413    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2495    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9422    8.3854    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   22.2495    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4620    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6744    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6744    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4620    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1631    4.1940    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.7631    4.1940    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  8  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
 12 25  1  0  0  0  0
 23 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 23  1  0  0  0  0
M  END
>  <Mol_ID> (740)
1442

>  <Formula> (740)
C26H28Cl2F2N2

>  <MolWeight> (740)
477.4167264

>  <Item Name> (740)
Flunarizine 2HCl

>  <Catalog Number> (740)
S2030

>  <Synonyms> (740)
N/A

>  <Target> (740)
Calcium Channel

>  <Form> (740)
2HCl

>  <URL> (740)
http://www.selleckchem.com/products/flunarizine-dihydrochloride.html

>  <CAS Number> (740)
30484-77-6

$$$$
ADENOSINE (adenosine).cdx
csChFnd80/07171813002D

 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
    3.6205    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4122    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6247    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  6  0  0  0
  6 12  1  6  0  0  0
  5 13  1  1  0  0  0
 10 14  1  1  0  0  0
  9 15  1  1  0  0  0
 14 16  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 17  1  0  0  0  0
 24 28  2  0  0  0  0
 26 29  1  1  0  0  0
 20 30  1  1  0  0  0
 17 16  1  6  0  0  0
M  END
>  <Mol_ID> (741)
1446

>  <Formula> (741)
C24H36O5

>  <MolWeight> (741)
404.53964

>  <Item Name> (741)
Lovastatin (Mevacor)

>  <Catalog Number> (741)
S2061

>  <Synonyms> (741)
N/A

>  <Target> (741)
HMG-CoA Reductase

>  <Form> (741)
Free Base

>  <URL> (741)
http://www.selleckchem.com/products/lovastatin-mevacor.html

>  <CAS Number> (741)
75330-75-5

$$$$
LIQUID PRED (Lisinopril).cdx
csChFnd80/07171813002D

 29 30  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
    2.4333    0.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8776    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2831    2.1776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8776    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7079    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    0.7776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2038    2.3062    0.0000 C   0  0  1  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
   11.0672    4.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4949    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    4.2776    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
   13.8263    0.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    4.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    6.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    7.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    8.4849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 15 19  1  1  0  0  0
 11 20  1  1  0  0  0
  9 21  1  1  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 19 24  2  0  0  0  0
 19 25  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
M  END
>  <Mol_ID> (742)
1455

>  <Formula> (742)
C21H31N3O5

>  <MolWeight> (742)
405.48794

>  <Item Name> (742)
Lisinopril (Zestril)

>  <Catalog Number> (742)
S2076

>  <Synonyms> (742)
Prinivil

>  <Target> (742)
RAAS

>  <Form> (742)
Free Base

>  <URL> (742)
http://www.selleckchem.com/products/lisinopril-zestril.html

>  <CAS Number> (742)
83915-83-7

$$$$
Atorvastatin calcium.cdx
csChFnd80/07171813002D

 83 88  0  0  0  0  0  0  0  0999 V2000
   19.4186    4.8013    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
   18.7029    6.7613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7909    7.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5719    9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6598    9.9061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4408   11.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5288   12.1698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.3098   13.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3978   14.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1788   15.8163    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   23.7048   13.9319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8358   11.6681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9668    9.4044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7762    5.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7299    9.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1901    5.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4901    7.0886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0901    4.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1068    3.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9503    4.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7546    3.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3922    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3822    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7344    1.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0968    2.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8770    3.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0511    2.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2985    3.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3718    4.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1976    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4726    2.3133    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (743)
1456

>  <Formula> (743)
C66H68CaF2N4O10

>  <MolWeight> (743)
1155.3417264

>  <Item Name> (743)
Atorvastatin calcium (Lipitor)

>  <Catalog Number> (743)
S2077

>  <Synonyms> (743)
N/A

>  <Target> (743)
HMG-CoA Reductase

>  <Form> (743)
Calcium 

>  <URL> (743)
http://www.selleckchem.com/products/atorvastatin-calcium-lipitor.html

>  <CAS Number> (743)
134523-03-8

$$$$
Moexipril hydrochloride.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (744)
1458

>  <Formula> (744)
C27H35ClN2O7

>  <MolWeight> (744)
535.029

>  <Item Name> (744)
Moexipril HCl

>  <Catalog Number> (744)
S2079

>  <Synonyms> (744)
N/A

>  <Target> (744)
RAAS

>  <Form> (744)
Hydrochloride

>  <URL> (744)
http://www.selleckchem.com/products/moexipril-hydrochloride.html

>  <CAS Number> (744)
82586-52-5

$$$$
Cleviprex.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (745)
1459

>  <Formula> (745)
C21H23Cl2NO6

>  <MolWeight> (745)
456.31642

>  <Item Name> (745)
Clevidipine Butyrate

>  <Catalog Number> (745)
S2080

>  <Synonyms> (745)
N/A

>  <Target> (745)
Calcium Channel

>  <Form> (745)
Free Base

>  <URL> (745)
http://www.selleckchem.com/products/cleviprex-clevidipine.html

>  <CAS Number> (745)
167221-71-8

$$$$
Fosinopril sodium.cdx
csChFnd80/07171813002D

 40 41  0  0  0  0  0  0  0  0999 V2000
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 31 34  2  0  0  0  0
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 39 40  1  0  0  0  0
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  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (746)
1465

>  <Formula> (746)
C30H45NNaO7P

>  <MolWeight> (746)
585.644331

>  <Item Name> (746)
Fosinopril sodium (Monopril)

>  <Catalog Number> (746)
S2095

>  <Synonyms> (746)
N/A

>  <Target> (746)
RAAS

>  <Form> (746)
Sodium Salt

>  <URL> (746)
http://www.selleckchem.com/products/fosinopril-sodium-monopril.html

>  <CAS Number> (746)
88889-14-9

$$$$
Temocapril hydrochloride.cdx
csChFnd80/07171813002D

 33 34  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
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 31 32  1  0  0  0  0
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M  END
>  <Mol_ID> (747)
1468

>  <Formula> (747)
C23H29ClN2O5S2

>  <MolWeight> (747)
513.06976

>  <Item Name> (747)
Temocapril HCl

>  <Catalog Number> (747)
S2099

>  <Synonyms> (747)
N/A

>  <Target> (747)
RAAS

>  <Form> (747)
Hydrochloride

>  <URL> (747)
http://www.selleckchem.com/products/temocapril-hcl.html

>  <CAS Number> (747)
110221-44-8

$$$$
Gabexate mesylate.cdx
csChFnd80/07171813002D

 28 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (748)
1470

>  <Formula> (748)
C17H27N3O7S

>  <MolWeight> (748)
417.47718

>  <Item Name> (748)
Gabexate mesylate

>  <Catalog Number> (748)
S2101

>  <Synonyms> (748)
N/A

>  <Target> (748)
Proteasome

>  <Form> (748)
Mesylate

>  <URL> (748)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (748)
56974-61-9

$$$$
Rasagiline mesylate.cdx
csChFnd80/07171813002D

 18 18  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> (749)
1471

>  <Formula> (749)
C13H17NO3S

>  <MolWeight> (749)
267.34398

>  <Item Name> (749)
Rasagiline mesylate

>  <Catalog Number> (749)
S2102

>  <Synonyms> (749)
N/A

>  <Target> (749)
MAO

>  <Form> (749)
Mesylate

>  <URL> (749)
http://www.selleckchem.com/products/rasagiline-mesylate.html

>  <CAS Number> (749)
161735-79-1

$$$$
Flunixin meglumine.cdx
csChFnd80/07171813002D

 34 34  0  0  0  0  0  0  0  0999 V2000
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  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
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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
 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
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 22 34  1  0  0  0  0
M  END
>  <Mol_ID> (750)
1473

>  <Formula> (750)
C21H28F3N3O7

>  <MolWeight> (750)
491.4581296

>  <Item Name> (750)
Flunixin meglumin

>  <Catalog Number> (750)
S2108

>  <Synonyms> (750)
N/A

>  <Target> (750)
COX

>  <Form> (750)
Meglumin

>  <URL> (750)
http://www.selleckchem.com/products/flunixin-meglumin.html

>  <CAS Number> (750)
42461-84-7

$$$$
Vinpocetine.cdx
csChFnd80/07171813002D

 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
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    2.4169    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  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> (751)
1474

>  <Formula> (751)
C22H26N2O2

>  <MolWeight> (751)
350.45404

>  <Item Name> (751)
Vinpocetine (Cavinton)

>  <Catalog Number> (751)
S2110

>  <Synonyms> (751)
N/A

>  <Target> (751)
Sodium Channel

>  <Form> (751)
Free Base

>  <URL> (751)
http://www.selleckchem.com/products/vinpocetine-cavinton.html

>  <CAS Number> (751)
42971-09-5

$$$$

csChFnd80/07171813002D

 60 59  0  0  0  0  0  0  0  0999 V2000
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   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
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 30 34  1  0  0  0  0
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 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> (752)
1477

>  <Formula> (752)
C44H76N4O10S2

>  <MolWeight> (752)
885.22504

>  <Item Name> (752)
Ibutilide fumarate

>  <Catalog Number> (752)
S2118

>  <Synonyms> (752)
N/A

>  <Target> (752)
Sodium Channel

>  <Form> (752)
Fumarate

>  <URL> (752)
http://www.selleckchem.com/products/ibutilide-fumarate.html

>  <CAS Number> (752)
122647-32-9

$$$$
Propafenone.cdx
csChFnd80/07171813002D

 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
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   10.8951    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3157    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (753)
1486

>  <Formula> (753)
C21H27NO3

>  <MolWeight> (753)
341.44398

>  <Item Name> (753)
Propafenone HCl

>  <Catalog Number> (753)
S2500

>  <Synonyms> (753)
Rythmol SR, Rytmonorm

>  <Target> (753)
Sodium Channel

>  <Form> (753)
Hydrochloride

>  <URL> (753)
http://www.selleckchem.com/products/Propafenone(Rytmonorm).html

>  <CAS Number> (753)
34183-22-7

$$$$
Tobramycin.cdx
csChFnd80/07171813002D

 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
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M  END
>  <Mol_ID> (754)
1489

>  <Formula> (754)
C18H37N5O9

>  <MolWeight> (754)
467.51448

>  <Item Name> (754)
Tobramycin

>  <Catalog Number> (754)
S2514

>  <Synonyms> (754)
N/A

>  <Target> (754)
Antifection

>  <Form> (754)
Free Base

>  <URL> (754)
http://www.selleckchem.com/products/Tobramycin(free-base).html

>  <CAS Number> (754)
32986-56-4

$$$$
Vancomycin hydrochloride.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (755)
1491

>  <Formula> (755)
C66H76Cl3N9O24

>  <MolWeight> (755)
1485.71454

>  <Item Name> (755)
Vancomycin HCl (Vancocin)

>  <Catalog Number> (755)
S2575

>  <Synonyms> (755)
N/A

>  <Target> (755)
Antifection

>  <Form> (755)
HCl

>  <URL> (755)
http://www.selleckchem.com/products/vancomycin-hydrochloride-vancocin.html

>  <CAS Number> (755)
1404-93-9 

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (756)
1494

>  <Formula> (756)
C19H19N3O6

>  <MolWeight> (756)
385.37066

>  <Item Name> (756)
Nilvadipine (ARC029)

>  <Catalog Number> (756)
S2721

>  <Synonyms> (756)
N/A

>  <Target> (756)
Calcium Channel

>  <Form> (756)
Free Base

>  <URL> (756)
http://www.selleckchem.com/products/nilvadipine-arc029.html

>  <CAS Number> (756)
75530-68-6

$$$$
Clevudine.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (757)
1496

>  <Formula> (757)
C10H13FN2O5

>  <MolWeight> (757)
260.2190232

>  <Item Name> (757)
Clevudine (Levovir)

>  <Catalog Number> (757)
S3001

>  <Synonyms> (757)
N/A

>  <Target> (757)
Others

>  <Form> (757)
Free Base

>  <URL> (757)
http://www.selleckchem.com/products/clevudine-levovir.html

>  <CAS Number> (757)
163252-36-6

$$$$
Zaltoprofen.cdx
csChFnd80/07171813002D

 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> (758)
1498

>  <Formula> (758)
C17H14O3S

>  <MolWeight> (758)
298.35626

>  <Item Name> (758)
Zaltoprofen

>  <Catalog Number> (758)
S3008

>  <Synonyms> (758)
N/A

>  <Target> (758)
COX

>  <Form> (758)
Free Base

>  <URL> (758)
http://www.selleckchem.com/products/zaltoprofen.html

>  <CAS Number> (758)
74711-43-6

$$$$
aspirin.cdx
csChFnd80/07171813002D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (759)
1501

>  <Formula> (759)
C9H8O4

>  <MolWeight> (759)
180.15742

>  <Item Name> (759)
Aspirin (Acetylsalicylic acid)

>  <Catalog Number> (759)
S3017

>  <Synonyms> (759)
N/A

>  <Target> (759)
COX

>  <Form> (759)
Free Base

>  <URL> (759)
http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

>  <CAS Number> (759)
50-78-2

$$$$
Niflumic acid.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (760)
1502

>  <Formula> (760)
C13H9F3N2O2

>  <MolWeight> (760)
282.2179696

>  <Item Name> (760)
Niflumic acid

>  <Catalog Number> (760)
S3018

>  <Synonyms> (760)
N/A

>  <Target> (760)
GABA Receptor

>  <Form> (760)
Free Base

>  <URL> (760)
http://www.selleckchem.com/products/niflumic-acid.html

>  <CAS Number> (760)
4394-00-7

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (761)
1503

>  <Formula> (761)
C11H6F3NO2S

>  <MolWeight> (761)
273.2310496

>  <Item Name> (761)
SMI-4a

>  <Catalog Number> (761)
S8005

>  <Synonyms> (761)
N/A

>  <Target> (761)
Pim

>  <Form> (761)
Free Base

>  <URL> (761)
http://www.selleckchem.com/products/smi-4a.html

>  <CAS Number> (761)
438190-29-5

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/07171813002D

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 35 31  1  0  0  0  0
 31 21  1  1  0  0  0
M  END
>  <Mol_ID> (762)
1505

>  <Formula> (762)
C25H35N3O6S

>  <MolWeight> (762)
505.6269

>  <Item Name> (762)
Amprenavir (Agenerase)

>  <Catalog Number> (762)
S1639

>  <Synonyms> (762)
Agenerase

>  <Target> (762)
HIV Protease

>  <Form> (762)
Free Base

>  <URL> (762)
http://www.selleckchem.com/products/Amprenavir-(Agenerase).html

>  <CAS Number> (762)
161814-49-9

$$$$
PREZISTA (darunavir ethanolate).cdx
csChFnd80/07171813002D

 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> (763)
1506

>  <Formula> (763)
C29H43N3O8S

>  <MolWeight> (763)
593.73202

>  <Item Name> (763)
Darunavir Ethanolate (Prezista)

>  <Catalog Number> (763)
S1620

>  <Synonyms> (763)
Prezista, TMC114

>  <Target> (763)
HIV Protease

>  <Form> (763)
Ethanolate

>  <URL> (763)
http://www.selleckchem.com/products/Darunavir-Ethanolate(Prezista).html

>  <CAS Number> (763)
635728-49-3

$$$$
SULFAPYRIDINE (sulfapyridine).cdx
csChFnd80/07171813002D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
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 12 13  1  0  0  0  0
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 16  9  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (764)
1510

>  <Formula> (764)
C11H11N3O2S

>  <MolWeight> (764)
249.28894

>  <Item Name> (764)
Sulfapyridine (Dagenan)

>  <Catalog Number> (764)
S1617

>  <Synonyms> (764)
Coccoclase, Eubasin, Eubasinum, Haptocil

>  <Target> (764)
Antifection

>  <Form> (764)
Free Base

>  <URL> (764)
http://www.selleckchem.com/products/Sulfapyridine(Dagenan).html

>  <CAS Number> (764)
144-83-2

$$$$
RGD peptide.cdx
csChFnd80/07171813002D

 24 23  0  0  0  0  0  0  0  0999 V2000
    8.4860    2.1137    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2738    1.4121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4816    3.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (765)
1511

>  <Formula> (765)
C12H22N6O6

>  <MolWeight> (765)
346.33968

>  <Item Name> (765)
RGD (Arg-Gly-Asp) Peptides

>  <Catalog Number> (765)
S8008

>  <Synonyms> (765)
Arginine-Glycine-Aspartic Acid

>  <Target> (765)
Integrase

>  <Form> (765)
Free Base

>  <URL> (765)
http://www.selleckchem.com/products/rgd-arg-gly-asp-peptides.html

>  <CAS Number> (765)
99896-85-2

$$$$
GSK2636771.cdx
csChFnd80/07171813002D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6458    9.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9282    1.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2705    2.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2604    3.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8981    4.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5558    4.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8880    5.7501    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6127    3.0455    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  2  1  0  0  0  0
  7 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  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
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (770)
1516

>  <Formula> (770)
C15H9Cl2NO2

>  <MolWeight> (770)
306.14346

>  <Item Name> (770)
Apoptosis Activator 2

>  <Catalog Number> (770)
S2927

>  <Synonyms> (770)
N/A

>  <Target> (770)
Caspase

>  <Form> (770)
Free Base

>  <URL> (770)
http://www.selleckchem.com/products/apoptosis-activator-2.html

>  <CAS Number> (770)
79183-19-0

$$$$
GNF-2.cdx
csChFnd80/07171813002D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    3.4927    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3927    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    4.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6879    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2878    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3854    3.6331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7854    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4854    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8854    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4854    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9854    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6830    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3830    6.0538    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.4748    5.5389    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.8912    4.1438    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
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
 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
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (771)
1517

>  <Formula> (771)
C18H13F3N4O2

>  <MolWeight> (771)
374.3166296

>  <Item Name> (771)
GNF-2

>  <Catalog Number> (771)
S2899

>  <Synonyms> (771)
N/A

>  <Target> (771)
Bcr-Abl

>  <Form> (771)
Free Base

>  <URL> (771)
http://www.selleckchem.com/products/gnf-2.html

>  <CAS Number> (771)
778270-11-4

$$$$
PQ 401.cdx
csChFnd80/07171813002D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0588    4.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    6.2880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    4.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    0.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2154    2.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    4.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    4.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    6.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    6.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    8.3880    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4794    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6877    2.1002    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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  9 14  1  0  0  0  0
  6 15  1  0  0  0  0
  4  8  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (772)
1518

>  <Formula> (772)
C18H16ClN3O2

>  <MolWeight> (772)
341.79154

>  <Item Name> (772)
PQ 401

>  <Catalog Number> (772)
S8003

>  <Synonyms> (772)
N/A

>  <Target> (772)
IGF-1R

>  <Form> (772)
Free Base

>  <URL> (772)
http://www.selleckchem.com/products/pq-401.html

>  <CAS Number> (772)
196868-63-0

$$$$
Tenovin-1.cdx
csChFnd80/07171813002D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4291    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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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
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   10.9246    5.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5703    6.3097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7828    5.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9952    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7828    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 22 15  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (773)
1519

>  <Formula> (773)
C20H23N3O2S

>  <MolWeight> (773)
369.48052

>  <Item Name> (773)
Tenovin-1

>  <Catalog Number> (773)
S8000

>  <Synonyms> (773)
N/A

>  <Target> (773)
p53

>  <Form> (773)
Free Base

>  <URL> (773)
http://www.selleckchem.com/products/tenovin-1.html

>  <CAS Number> (773)
380315-80-0

$$$$
Pifithrin-¦Á.cdx
csChFnd80/07171813002D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.9674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.2326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    5.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    6.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    3.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8059    2.5351    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
  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
  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  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 13  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (774)
1520

>  <Formula> (774)
C16H19BrN2OS

>  <MolWeight> (774)
367.30386

>  <Item Name> (774)
Pifithrin-¦Á (PFT¦Á) HBr

>  <Catalog Number> (774)
S2929

>  <Synonyms> (774)
N/A

>  <Target> (774)
p53

>  <Form> (774)
HBr

>  <URL> (774)
http://www.selleckchem.com/products/pifithrin-alpha.html

>  <CAS Number> (774)
63208-82-2

$$$$
N6-methyladenosine.cdx
csChFnd80/07171813002D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.9350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2891    1.6131    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9980    2.9825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7190    3.5519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2104    3.6825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3568    5.0748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2508    2.7457    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6814    1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6202    3.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1897    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5820    4.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8731    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0855    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2980    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0855    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8731    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6606    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6606    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5104    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  1  6  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
 14 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
 13 19  2  0  0  0  0
 10 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (775)
1521

>  <Formula> (775)
C11H15N5O4

>  <MolWeight> (775)
281.2679

>  <Item Name> (775)
N6-methyladenosine (m6A)

>  <Catalog Number> (775)
S3190

>  <Synonyms> (775)
NSC-29409

>  <Target> (775)
Others

>  <Form> (775)
Free Base

>  <URL> (775)
http://www.selleckchem.com/products/n6-methyladenosine.html

>  <CAS Number> (775)
1867-73-8

$$$$
CGS-21680 hydrochloride.cdx
csChFnd80/07171813002D

 37 39  0  0  0  0  0  0  0  0999 V2000
    7.6095   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6095    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8219    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0344    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0344   10.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8219   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2780   10.9253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4551    9.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2780    8.6601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8219   12.5879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2780    7.2601    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0656    7.9601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4550    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
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  3  4  2  0  0  0  0
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 11  9  1  1  0  0  0
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 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  4 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  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 14 35  1  6  0  0  0
 15 36  1  6  0  0  0
M  END
>  <Mol_ID> (776)
1522

>  <Formula> (776)
C23H30ClN7O6

>  <MolWeight> (776)
535.9806

>  <Item Name> (776)
CGS 21680 HCl

>  <Catalog Number> (776)
S2153

>  <Synonyms> (776)
N/A

>  <Target> (776)
5-alpha Reductase

>  <Form> (776)
Hydrochloride

>  <URL> (776)
http://www.selleckchem.com/products/CGS-21680-hydrochloride.html

>  <CAS Number> (776)
124431-80-7

$$$$
Epiandrosterone.cdx
csChFnd80/07171813002D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  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
  4 22  1  6  0  0  0
 10 23  1  6  0  0  0
 11 24  1  6  0  0  0
 17 25  2  0  0  0  0
M  END
>  <Mol_ID> (777)
1523

>  <Formula> (777)
C19H30O2

>  <MolWeight> (777)
290.4403

>  <Item Name> (777)
Epiandrosterone (3¦Â-androsterone)

>  <Catalog Number> (777)
S2832

>  <Synonyms> (777)
N/A

>  <Target> (777)
Estrogen/progestogen Receptor

>  <Form> (777)
Free Base

>  <URL> (777)
http://www.selleckchem.com/products/epiandrosterone-3beta-androsterone.html

>  <CAS Number> (777)
481-29-8

$$$$
Arecoline hydrobromide.cdx
csChFnd80/07171813002D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1290    0.9625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (778)
1529

>  <Formula> (778)
C8H14BrNO2

>  <MolWeight> (778)
236.10626

>  <Item Name> (778)
Arecoline HBr

>  <Catalog Number> (778)
S2614

>  <Synonyms> (778)
N/A

>  <Target> (778)
AChR

>  <Form> (778)
HBr

>  <URL> (778)
http://www.selleckchem.com/products/arecoline.html

>  <CAS Number> (778)
300-08-3 

$$$$
AG 18.cdx
csChFnd80/07171813002D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  3  0  0  0  0
  9 13  3  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (779)
1532

>  <Formula> (779)
C10H6N2O2

>  <MolWeight> (779)
186.16684

>  <Item Name> (779)
AG 18 (Tyrphostin 23)

>  <Catalog Number> (779)
S8009

>  <Synonyms> (779)
RG-50810

>  <Target> (779)
EGFR

>  <Form> (779)
Free Base

>  <URL> (779)
http://www.selleckchem.com/products/ag-18-tyrphostin-23.html

>  <CAS Number> (779)
118409-57-7

$$$$
OSI-906.cdx
csChFnd80/07171813002D

 32 37  0  0  0  0  0  0  0  0999 V2000
    5.3092    8.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3092    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5216    6.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7340    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7340    8.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5216    8.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9465    6.1165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1589    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1589    8.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9465    8.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3671    6.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3671    4.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5796    4.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7920    4.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7920    6.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5796    6.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1009    6.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220    6.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8852    5.6480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5852    4.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9546    4.7266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1220    7.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7220    7.9008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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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> (780)
IGF-1R

>  <Form> (780)
Free Base

>  <URL> (780)
http://www.selleckchem.com/products/OSI-906.html

>  <CAS Number> (780)
867160-71-2

$$$$
aicar.cdx
csChFnd80/07171813002D

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C9H14N4O5

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AICAR (Acadesine)

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S1802

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AICAR, AICA-riboside

>  <Target> (781)
AMPK

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Free Base

>  <URL> (781)
http://www.selleckchem.com/products/Acadesine.html

>  <CAS Number> (781)
2627-69-2

$$$$

csChFnd80/07171813002D

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Raf

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Free Base

>  <URL> (782)
http://www.selleckchem.com/products/cep-32496.html

>  <CAS Number> (782)
1188910-76-0

$$$$
Cobicistat (GS-9350).cdx
csChFnd80/07171813002D

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>  <Synonyms> (783)
N/A

>  <Target> (783)
P450 (e.g. CYP17)

>  <Form> (783)
Free Base

>  <URL> (783)
http://www.selleckchem.com/products/cobicistat-gs-9350.html

>  <CAS Number> (783)
1004316-88-4

$$$$
GW 5074.cdx
csChFnd80/07171813002D

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220904-83-6

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GPR

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Free Base

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885101-89-3

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Potassium Channel

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Fumarate

>  <URL> (786)
http://www.selleckchem.com/products/tak-438.html

>  <CAS Number> (786)
1260141-27-2

$$$$
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Dopamine Receptor

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Mesylate

>  <URL> (787)
http://www.selleckchem.com/products/Pergolide-mesylate.html

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66104-23-2

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FLT3

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Free Base

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http://www.selleckchem.com/products/tcs-359.html

>  <CAS Number> (793)
301305-73-7

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/07171813002D

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>  <Formula> (794)
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>  <Item Name> (794)
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>  <Catalog Number> (794)
S4001

>  <Synonyms> (794)
N/A

>  <Target> (794)
VEGFR

>  <Form> (794)
Malate

>  <URL> (794)
http://www.selleckchem.com/products/cabozantinib-malate.html

>  <CAS Number> (794)
1140909-48-3

$$$$
PF-04708671.cdx
csChFnd80/07171813002D

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1551

>  <Formula> (795)
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>  <MolWeight> (795)
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>  <Item Name> (795)
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>  <Catalog Number> (795)
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>  <Synonyms> (795)
PF-04708671

>  <Target> (795)
S6 Kinase

>  <Form> (795)
Free Base

>  <URL> (795)
http://www.selleckchem.com/products/pf-4708671.html

>  <CAS Number> (795)
1255517-76-0

$$$$
PF-04981517.cdx
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M  END
>  <Mol_ID> (801)
1563

>  <Formula> (801)
C21H24N4O2S

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396.50586

>  <Item Name> (801)
Mirabegron (YM178)

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S4009

>  <Synonyms> (801)
N/A

>  <Target> (801)
Adrenergic Receptor

>  <Form> (801)
Free Base

>  <URL> (801)
http://www.selleckchem.com/products/mirabegron-ym178.html

>  <CAS Number> (801)
223673-61-8

$$$$
NSC23766.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (802)
1564

>  <Formula> (802)
C24H38Cl3N7

>  <MolWeight> (802)
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>  <Item Name> (802)
NSC 23766

>  <Catalog Number> (802)
S8031

>  <Synonyms> (802)
N/A

>  <Target> (802)
Rac

>  <Form> (802)
HCl

>  <URL> (802)
http://www.selleckchem.com/products/nsc-23766.html

>  <CAS Number> (802)
1177865-17-6

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/07171813002D

  7  4  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (803)
1567

>  <Formula> (803)
FNa2O3P

>  <MolWeight> (803)
143.9499042

>  <Item Name> (803)
Sodium Monofluorophosphate

>  <Catalog Number> (803)
S4013

>  <Synonyms> (803)
Sodium Fluorophosphate

>  <Target> (803)
Others
phosphatase

>  <Form> (803)
Disodium salt

>  <URL> (803)
http://www.selleckchem.com/products/sodium-monofluorophosphate.html

>  <CAS Number> (803)
10163-15-2

$$$$
Hyoscyamine (L).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (804)
1568

>  <Formula> (804)
C17H23NO3

>  <MolWeight> (804)
289.36942

>  <Item Name> (804)
Hyoscyamine (Daturine)

>  <Catalog Number> (804)
S4014

>  <Synonyms> (804)
N/A

>  <Target> (804)
AChR

>  <Form> (804)
Free Base

>  <URL> (804)
http://www.selleckchem.com/products/hyoscyamine-daturine.html

>  <CAS Number> (804)
101-31-5

$$$$
IPI-145.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (805)
1569

>  <Formula> (805)
C22H17ClN6O

>  <MolWeight> (805)
416.86298

>  <Item Name> (805)
Duvelisib (IPI-145, INK1197)

>  <Catalog Number> (805)
S7028

>  <Synonyms> (805)
N/A

>  <Target> (805)
PI3K

>  <Form> (805)
Free Base

>  <URL> (805)
http://www.selleckchem.com/products/ipi-145-ink1197.html

>  <CAS Number> (805)
1201438-56-3

$$$$
UPF-1069.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (806)
1570

>  <Formula> (806)
C17H13NO3

>  <MolWeight> (806)
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>  <Item Name> (806)
UPF 1069

>  <Catalog Number> (806)
S8038 

>  <Synonyms> (806)
N/A

>  <Target> (806)
PARP

>  <Form> (806)
Free Base

>  <URL> (806)
http://www.selleckchem.com/products/upf-1069.html

>  <CAS Number> (806)
1048371-03-4

$$$$
Necrostatin-1.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (807)
1572

>  <Formula> (807)
C13H13N3OS

>  <MolWeight> (807)
259.32682

>  <Item Name> (807)
Necrostatin-1

>  <Catalog Number> (807)
S8037 

>  <Synonyms> (807)
N/A

>  <Target> (807)
TNF-alpha

>  <Form> (807)
Free Base

>  <URL> (807)
http://www.selleckchem.com/products/necrostatin-1.html

>  <CAS Number> (807)
4311-88-0

$$$$
Avanafil.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (808)
1574

>  <Formula> (808)
C23H26ClN7O3

>  <MolWeight> (808)
483.95064

>  <Item Name> (808)
Avanafil

>  <Catalog Number> (808)
S4019

>  <Synonyms> (808)
N/A

>  <Target> (808)
PDE

>  <Form> (808)
Free Base

>  <URL> (808)
http://www.selleckchem.com/products/avanafil.html

>  <CAS Number> (808)
330784-47-9

$$$$
N-Methyl-D-aspartic acid£¨NMDA£©.cdx
csChFnd80/07171813002D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (809)
1575

>  <Formula> (809)
C5H9NO4

>  <MolWeight> (809)
147.12926

>  <Item Name> (809)
NMDA (N-Methyl-D-aspartic acid)

>  <Catalog Number> (809)
S7072

>  <Synonyms> (809)
N/A

>  <Target> (809)
GluR

>  <Form> (809)
Free Base

>  <URL> (809)
http://www.selleckchem.com/products/nmda-n-methyl-d-aspartic-acid.html

>  <CAS Number> (809)
6384-92-5

$$$$
procaine hydrochloride.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (810)
1577

>  <Formula> (810)
C13H21ClN2O2

>  <MolWeight> (810)
272.77104

>  <Item Name> (810)
Procaine (Novocaine) HCl

>  <Catalog Number> (810)
S4023

>  <Synonyms> (810)
N/A

>  <Target> (810)
Sodium Channel

>  <Form> (810)
HCl

>  <URL> (810)
http://www.selleckchem.com/products/procaine-novocaine-hcl.html

>  <CAS Number> (810)
51-05-8

$$$$
sennoside A.cdx
csChFnd80/07171813002D

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>  <Target> (811)
Others

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Free Base

>  <URL> (811)
http://www.selleckchem.com/products/sennoside-a.html

>  <CAS Number> (811)
81-27-6

$$$$
sennoside B.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (812)
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C42H38O20

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>  <Target> (812)
Others

>  <Form> (812)
Free Base

>  <URL> (812)
http://www.selleckchem.com/products/sennoside-b.html

>  <CAS Number> (812)
128-57-4

$$$$
Tolcapone.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (813)
1581

>  <Formula> (813)
C14H11NO5

>  <MolWeight> (813)
273.24084

>  <Item Name> (813)
Tolcapone

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S4021

>  <Synonyms> (813)
N/A

>  <Target> (813)
Transferase

>  <Form> (813)
Free Base

>  <URL> (813)
http://www.selleckchem.com/products/tolcapone.html

>  <CAS Number> (813)
134308-13-7

$$$$
JNK-IN-8.cdx
csChFnd80/07171813002D

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JNK-IN-8

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N/A

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Free Base

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Free Base

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http://www.selleckchem.com/products/jnk-in-8.html

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1410880-22-6

$$$$
methazolamide.cdx
csChFnd80/07171813002D

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Methazolamide

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S4039

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N/A

>  <Target> (815)
Carbonic Anhydrase

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Free Base

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

>  <CAS Number> (815)
554-57-4

$$$$
QNZ.cdx
csChFnd80/07171813002D

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1585

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C22H20N4O

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QNZ (EVP4593)

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S4902

>  <Synonyms> (816)
N/A

>  <Target> (816)
NF-¦ÊB

>  <Form> (816)
Free Base

>  <URL> (816)
http://www.selleckchem.com/products/qnz-evp4593.html

>  <CAS Number> (816)
545380-34-5

$$$$
SC-514.cdx
csChFnd80/07171813002D

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C9H8N2OS2

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S4907

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N/A

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I¦ÊB/IKK

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Free Base

>  <URL> (817)
http://www.selleckchem.com/products/sc-514.html

>  <CAS Number> (817)
354812-17-2

$$$$
SN-38.cdx
csChFnd80/07171813002D

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1587

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C22H20N2O5

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S4908

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N/A

>  <Target> (818)
Topoisomerase

>  <Form> (818)
Free Base

>  <URL> (818)
http://www.selleckchem.com/products/sn-38.html

>  <CAS Number> (818)
86639-52-3

$$$$
Nabumetone.cdx
csChFnd80/07171813002D

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1589

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Nabumetone

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S4051

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Arthaxan, Relafen

>  <Target> (819)
COX

>  <Form> (819)
Free Base

>  <URL> (819)
http://www.selleckchem.com/products/nabumetone.html

>  <CAS Number> (819)
42924-53-8

$$$$
netilmicin sulfate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (820)
1590

>  <Formula> (820)
C42H92N10O34S5

>  <MolWeight> (820)
1441.55148

>  <Item Name> (820)
Netilmicin Sulfate

>  <Catalog Number> (820)
S4052

>  <Synonyms> (820)
N/A

>  <Target> (820)
Antifection

>  <Form> (820)
Sulfate

>  <URL> (820)
http://www.selleckchem.com/products/netilmicin-sulfate.html

>  <CAS Number> (820)
7664-93-9

$$$$
ABT-199.cdx
csChFnd80/07171813002D

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Bcl-2

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Free Base

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http://www.selleckchem.com/products/abt-199.html

>  <CAS Number> (821)
1257044-40-8

$$$$
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IWR-1-endo

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S7086

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IWR-1

>  <Target> (822)
Wnt/beta-catenin

>  <Form> (822)
Free Base

>  <URL> (822)
http://www.selleckchem.com/products/iwr-1-endo.html

>  <CAS Number> (822)
1127442-82-3

$$$$
EPZ-5676.cdx
csChFnd80/07171813002D

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C30H42N8O3

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Pinometostat (EPZ5676)

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S7062

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N/A

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Histone Methyltransferase

>  <Form> (823)
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>  <URL> (823)
http://www.selleckchem.com/products/epz-5676.html

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1380288-87-8

$$$$
Apremilast (CC-10004).cdx
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C22H24N2O7S

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>  <Item Name> (824)
Apremilast (CC-10004)
Apremilast (CC-10004)

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N/A

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PDE

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Free Base

>  <URL> (824)
http://www.selleckchem.com/products/apremilast-cc-10004.html

>  <CAS Number> (824)
608141-41-9

$$$$
Oprozomib (ONX 0912).cdx
csChFnd80/07171813002D

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Proteasome

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935888-69-0

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VX661.cdx
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CFTR

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1152311-62-0

$$$$
Empagliflozin (BI10773).cdx
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N/A

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SGLT

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>  <URL> (827)
http://www.selleckchem.com/products/empagliflozin-bi10773.html

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864070-44-0

$$$$
Tetrahydrozoline hydrochloride.cdx
csChFnd80/07171813002D

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N/A

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Adrenergic Receptor

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hydrochloride

>  <URL> (828)
http://www.selleckchem.com/products/tetrahydrozoline-hcl.html

>  <CAS Number> (828)
522-48-5

$$$$
Dibucaine HCL.cdx
csChFnd80/07171813002D

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   10.9307    3.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3136    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (829)
1612

>  <Formula> (829)
C20H30ClN3O2

>  <MolWeight> (829)
379.9241

>  <Item Name> (829)
Dibucaine (Cinchocaine) HCl

>  <Catalog Number> (829)
S4038

>  <Synonyms> (829)
N/A

>  <Target> (829)
Sodium Channel

>  <Form> (829)
hydrochloride

>  <URL> (829)
http://www.selleckchem.com/products/dibucaine-cinchocaine-hcl.html

>  <CAS Number> (829)
61-12-1

$$$$
Diphemanil methylsulfate.cdx
csChFnd80/07171813002D

 27 28  0  0  0  0  0  0  0  0999 V2000
    6.3913    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8162    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9664    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1789    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6037    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8162    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0286    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9664    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3913    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.0286    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4914    8.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2912    8.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3434    6.0237    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.3973    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  6  1  0  0  0  0
  2  5  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
M  CFW   0 B_NG_STER 2
M  END
>  <Mol_ID> (830)
1613

>  <Formula> (830)
C21H27NO4S

>  <MolWeight> (830)
389.50838

>  <Item Name> (830)
Diphemanil Methylsulfate

>  <Catalog Number> (830)
S4034

>  <Synonyms> (830)
N/A

>  <Target> (830)
AChR

>  <Form> (830)
Methylsulfate

>  <URL> (830)
http://www.selleckchem.com/products/diphemanil-methylsulfate.html

>  <CAS Number> (830)
62-97-5

$$$$
(+)-JQ1.cdx
csChFnd80/07171813002D

 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
    1.3657    8.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126    7.1451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212    7.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3320    9.2213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023    5.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1573    4.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5545    4.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3467    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9213    7.2634    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    7.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9343    5.1715    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1143    3.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5179    3.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1245    2.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5515    2.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6580    1.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3568    2.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6540    3.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3563    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9088    8.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2693    8.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667    6.4498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6266    9.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446    7.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375    7.5005    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
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  2 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 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
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 10 24  1  6  0  0  0
M  END
>  <Mol_ID> (831)
1616

>  <Formula> (831)
C23H25ClN4O2S

>  <MolWeight> (831)
456.9882

>  <Item Name> (831)
(+)-JQ1

>  <Catalog Number> (831)
S7110

>  <Synonyms> (831)
N/A

>  <Target> (831)
BET

>  <Form> (831)
Free Base

>  <URL> (831)
http://www.selleckchem.com/products/jq1.html

>  <CAS Number> (831)
1268524-70-4

$$$$
Desvenlafaxine succinate.cdx
csChFnd80/07171813002D

 27 27  0  0  0  0  0  0  0  0999 V2000
    6.5655    8.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0796    7.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9736    6.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578    6.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8458    8.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9497    9.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8678    8.2850    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1718    6.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8678    9.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6592    7.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638   10.3829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638   11.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    9.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2221    7.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    6.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6457    6.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0224    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 20 26  1  0  0  0  0
 20 27  2  0  0  0  0
M  END
>  <Mol_ID> (832)
1619

>  <Formula> (832)
C20H31NO6

>  <MolWeight> (832)
381.46324

>  <Item Name> (832)
Desvenlafaxine Succinate

>  <Catalog Number> (832)
S4112

>  <Synonyms> (832)
N/A

>  <Target> (832)
5-HT Receptor

>  <Form> (832)
Succinate

>  <URL> (832)
http://www.selleckchem.com/products/desvenlafaxine-succinate.html

>  <CAS Number> (832)
386750-22-7

$$$$
Dicloxacillin sodium.cdx
csChFnd80/07171813002D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4364    5.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    5.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6328    7.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    7.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998    7.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    5.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578    5.1287    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1045    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4364    3.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1485    1.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0578    4.2203    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.6334    6.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4509    4.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0279    2.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2670    5.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6602    5.0816    0.0000 Na  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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  4  5  1  0  0  0  0
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  2  7  1  0  0  0  0
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  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
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 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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 24  1  1  0  0  0
 19 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 22 28  1  6  0  0  0
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M  END
>  <Mol_ID> (833)
1620

>  <Formula> (833)
C19H18Cl2N3NaO6S

>  <MolWeight> (833)
510.32349

>  <Item Name> (833)
Dicloxacillin Sodium

>  <Catalog Number> (833)
S4111

>  <Synonyms> (833)
Diclocil

>  <Target> (833)
Antifection

>  <Form> (833)
Sodium Salt

>  <URL> (833)
http://www.selleckchem.com/products/dicloxacillin-sodium.html

>  <CAS Number> (833)
13412-64-1

$$$$
Estradiol benzoate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (834)
1621

>  <Formula> (834)
C25H28O3

>  <MolWeight> (834)
376.48802

>  <Item Name> (834)
Estradiol Benzoate

>  <Catalog Number> (834)
S4110

>  <Synonyms> (834)
N/A

>  <Target> (834)
Estrogen/progestogen Receptor

>  <Form> (834)
Free Base

>  <URL> (834)
http://www.selleckchem.com/products/estradiol-benzoate.html

>  <CAS Number> (834)
50-50-0

$$$$
GSK J4 HCL.cdx
csChFnd80/07171813002D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (835)
1623

>  <Formula> (835)
C24H28ClN5O2

>  <MolWeight> (835)
453.96442

>  <Item Name> (835)
GSK J4 HCl

>  <Catalog Number> (835)
S7070

>  <Synonyms> (835)
N/A

>  <Target> (835)
Histone Demethylase

>  <Form> (835)
Hydrochloride

>  <URL> (835)
http://www.selleckchem.com/products/gsk-j4-hcl.html

>  <CAS Number> (835)
1373423-53-0(free base)

$$$$
STATTIC.cdx
csChFnd80/07171813002D

 14 15  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (836)
1624

>  <Formula> (836)
C8H5NO4S

>  <MolWeight> (836)
211.1946

>  <Item Name> (836)
Stattic

>  <Catalog Number> (836)
S7024

>  <Synonyms> (836)
N/A

>  <Target> (836)
STAT

>  <Form> (836)
Free Base

>  <URL> (836)
http://www.selleckchem.com/products/stattic.html

>  <CAS Number> (836)
19983-44-9

$$$$
Tariquidar.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (837)
1625

>  <Formula> (837)
C38H38N4O6

>  <MolWeight> (837)
646.73152

>  <Item Name> (837)
Tariquidar

>  <Catalog Number> (837)
S8028

>  <Synonyms> (837)
N/A

>  <Target> (837)
P-gp

>  <Form> (837)
Free Base

>  <URL> (837)
http://www.selleckchem.com/products/tariquidar.html

>  <CAS Number> (837)
206873-63-4

$$$$
WY 14643.cdx
csChFnd80/07171813002D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.0332    4.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8276    3.4716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2387    3.4716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2387    7.6550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.4113    2.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (838)
1626

>  <Formula> (838)
C14H14ClN3O2S

>  <MolWeight> (838)
323.79786

>  <Item Name> (838)
WY 14643 (Pirinixic Acid)

>  <Catalog Number> (838)
S8029

>  <Synonyms> (838)
N/A

>  <Target> (838)
PPAR

>  <Form> (838)
Free Base

>  <URL> (838)
http://www.selleckchem.com/products/wy-14643-pirinixic-acid.html

>  <CAS Number> (838)
50892-23-4

$$$$
Aminosalicylate sodium.cdx
csChFnd80/07171813002D

 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> (839)
1628

>  <Formula> (839)
C7H6NNaO3

>  <MolWeight> (839)
175.11721

>  <Item Name> (839)
Sodium 4-Aminosalicylate

>  <Catalog Number> (839)
S4073

>  <Synonyms> (839)
N/A

>  <Target> (839)
NF-¦ÊB

>  <Form> (839)
Sodium Salt

>  <URL> (839)
http://www.selleckchem.com/products/aminosalicylate-sodium.html

>  <CAS Number> (839)
133-10-8

$$$$

csChFnd80/07171813002D

 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
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    4.1267    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9142    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3349    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6139    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5506    3.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8506    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4812    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4445    5.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7355    6.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951    7.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636    6.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    1.6169    9.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 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> (840)
1629

>  <Formula> (840)
C16H14N2O3S

>  <MolWeight> (840)
314.35896

>  <Item Name> (840)
Valdecoxib

>  <Catalog Number> (840)
S4049

>  <Synonyms> (840)
SC-65872, YM-974

>  <Target> (840)
COX

>  <Form> (840)
Free Base

>  <URL> (840)
http://www.selleckchem.com/products/valdecoxib.html

>  <CAS Number> (840)
181695-72-7

$$$$
Decamethonium bromide.cdx
csChFnd80/07171813002D

 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> (841)
1632

>  <Formula> (841)
C16H38Br2N2

>  <MolWeight> (841)
418.29432

>  <Item Name> (841)
Decamethonium Bromide

>  <Catalog Number> (841)
S4072

>  <Synonyms> (841)
Syncurine

>  <Target> (841)
AChR

>  <Form> (841)
Bromide

>  <URL> (841)
http://www.selleckchem.com/products/decamethonium-bromide.html

>  <CAS Number> (841)
541-22-0

$$$$
Estradiol cypionate.cdx
csChFnd80/07171813002D

 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
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 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 10  1  0  0  0  0
 11 15  1  0  0  0  0
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 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
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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
 30 31  1  0  0  0  0
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 32 28  1  0  0  0  0
M  END
>  <Mol_ID> (842)
1633

>  <Formula> (842)
C26H36O3

>  <MolWeight> (842)
396.56224

>  <Item Name> (842)
Estradiol Cypionate

>  <Catalog Number> (842)
S4046

>  <Synonyms> (842)
N/A

>  <Target> (842)
Estrogen/progestogen Receptor

>  <Form> (842)
Free Base

>  <URL> (842)
http://www.selleckchem.com/products/estradiol-cypionate.html

>  <CAS Number> (842)
313-06-4

$$$$
Mefenamic acid.cdx
csChFnd80/07171813002D

 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
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    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 12 18  1  0  0  0  0
 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (843)
1637

>  <Formula> (843)
C15H15NO2

>  <MolWeight> (843)
241.2851

>  <Item Name> (843)
Mefenamic Acid

>  <Catalog Number> (843)
S4078

>  <Synonyms> (843)
N/A

>  <Target> (843)
COX

>  <Form> (843)
Free Base

>  <URL> (843)
http://www.selleckchem.com/products/mefenamic-acid.html

>  <CAS Number> (843)
61-68-7

$$$$
Propranolol HCl.cdx
csChFnd80/07171813002D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    3.6373    4.1951    0.0000 O   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  3  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
    6.0538    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8075    1.7063    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
 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  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (844)
1639

>  <Formula> (844)
C16H22ClNO2

>  <MolWeight> (844)
295.80438

>  <Item Name> (844)
Propranolol HCl

>  <Catalog Number> (844)
S4076

>  <Synonyms> (844)
N/A

>  <Target> (844)
Adrenergic Receptor

>  <Form> (844)
Hydrochloride

>  <URL> (844)
http://www.selleckchem.com/products/propranolol-hcl.html

>  <CAS Number> (844)
318-98-9

$$$$
Pirarubicin.cdx
csChFnd80/07171813002D

 47 52  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  1  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
    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
    6.0538    8.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.4903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   11.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808   10.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2943   11.8120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8152   12.5711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.6903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   12.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035   12.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.9951    0.0000 O   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
   12.1201    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  1  0  0  0
  1  8  1  6  0  0  0
  3  9  1  6  0  0  0
  2 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 18 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 19  1  0  0  0  0
 24 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 25  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 21 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 21 39  1  1  0  0  0
 17 40  1  6  0  0  0
 26 41  1  0  0  0  0
 23 42  1  0  0  0  0
 30 43  2  0  0  0  0
 27 44  2  0  0  0  0
 31 45  1  0  0  0  0
 45 46  1  0  0  0  0
 11 47  1  1  0  0  0
M  END
>  <Mol_ID> (845)
1641

>  <Formula> (845)
C32H37NO12

>  <MolWeight> (845)
627.63568

>  <Item Name> (845)
Pirarubicin

>  <Catalog Number> (845)
S1393

>  <Synonyms> (845)
N/A

>  <Target> (845)
Topoisomerase

>  <Form> (845)
Free Base

>  <URL> (845)
http://www.selleckchem.com/products/Pirarubicin.html

>  <CAS Number> (845)
72496-41-4

$$$$
Escitalopram oxalate.cdx
csChFnd80/07171813002D

 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
    7.6597    4.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0597    4.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7597    5.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0597    6.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6597    6.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.1951    5.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    7.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    7.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    5.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    4.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8026    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5731    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4273    2.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5560    1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8305    1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4102    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1548    5.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500    5.5115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3144   11.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268   11.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268   13.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7350   11.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7350    9.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 10 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
 20 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  3  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (846)
1644

>  <Formula> (846)
C22H23FN2O5

>  <MolWeight> (846)
414.4268232

>  <Item Name> (846)
Escitalopram Oxalate

>  <Catalog Number> (846)
S4064

>  <Synonyms> (846)
S-(+)-Citalopram Oxalate

>  <Target> (846)
5-HT Receptor

>  <Form> (846)
Oxalate

>  <URL> (846)
http://www.selleckchem.com/products/escitalopram-oxalate.html

>  <CAS Number> (846)
219861-08-2

$$$$
Guanabenz acetate.cdx
csChFnd80/07171813002D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    4.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    5.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    6.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    7.7805    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5732    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    6.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    5.6780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    6.3780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    5.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    4.2780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6458    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4333    2.1024    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
  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (847)
1645

>  <Formula> (847)
C10H12Cl2N4O2

>  <MolWeight> (847)
291.13388

>  <Item Name> (847)
Guanabenz (WY-8678) Acetate

>  <Catalog Number> (847)
S4065

>  <Synonyms> (847)
N/A

>  <Target> (847)
Adrenergic Receptor

>  <Form> (847)
Acetate

>  <URL> (847)
http://www.selleckchem.com/products/guanabenz-wy-8678-acetate.html

>  <CAS Number> (847)
23256-50-0

$$$$
GW2580.cdx
csChFnd80/07171813002D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6827    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  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  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
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (848)
1646

>  <Formula> (848)
C20H22N4O3

>  <MolWeight> (848)
366.41368

>  <Item Name> (848)
GW2580

>  <Catalog Number> (848)
S8042

>  <Synonyms> (848)
N/A

>  <Target> (848)
CSF-1R

>  <Form> (848)
Free Base

>  <URL> (848)
http://www.selleckchem.com/products/gw2580.html

>  <CAS Number> (848)
870483-87-7

$$$$
DYRENIUM (triamterene).cdx
csChFnd80/07171813002D

 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
    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
    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
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 14 15  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (849)
1650

>  <Formula> (849)
C12H11N7

>  <MolWeight> (849)
253.26264

>  <Item Name> (849)
Triamterene

>  <Catalog Number> (849)
S4080

>  <Synonyms> (849)
N/A

>  <Target> (849)
Sodium Channel

>  <Form> (849)
Free Base

>  <URL> (849)
http://www.selleckchem.com/products/triamterene.html

>  <CAS Number> (849)
396-01-0

$$$$
Aclidinium bromide.cdx
csChFnd80/07171813002D

 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> (850)
1656

>  <Formula> (850)
C26H30BrNO4S2

>  <MolWeight> (850)
564.5547

>  <Item Name> (850)
Aclidinium Bromide

>  <Catalog Number> (850)
S4031

>  <Synonyms> (850)
N/A

>  <Target> (850)
AChR

>  <Form> (850)
quaternary-N bromide salt

>  <URL> (850)
http://www.selleckchem.com/products/aclidinium-bromide.html

>  <CAS Number> (850)
320345-99-1

$$$$
Butein.cdx
csChFnd80/07171813002D

 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> (851)
1657

>  <Formula> (851)
C15H12O5

>  <MolWeight> (851)
272.25278

>  <Item Name> (851)
Butein

>  <Catalog Number> (851)
S8036

>  <Synonyms> (851)
N/A

>  <Target> (851)
EGFR

>  <Form> (851)
Free Base

>  <URL> (851)
https://www.selleckchem.com/products/butein.html

>  <CAS Number> (851)
487-52-5

$$$$
Levodropropizine.cdx
csChFnd80/07171813002D

 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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 15  1  1  0  0  0
M  END
>  <Mol_ID> (852)
1660

>  <Formula> (852)
C13H20N2O2

>  <MolWeight> (852)
236.3101

>  <Item Name> (852)
Levodropropizine

>  <Catalog Number> (852)
S4131

>  <Synonyms> (852)
N/A

>  <Target> (852)
Histamine Receptor

>  <Form> (852)
Free Base

>  <URL> (852)
https://www.selleckchem.com/products/levodropropizine.html

>  <CAS Number> (852)
99291-25-5

$$$$
Mildronate.cdx
csChFnd80/07171813002D

 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> (853)
1661

>  <Formula> (853)
C6H15N2O2+

>  <MolWeight> (853)
147.1955

>  <Item Name> (853)
Mildronate

>  <Catalog Number> (853)
S4130

>  <Synonyms> (853)
N/A

>  <Target> (853)
Hydroxylase

>  <Form> (853)
Free Base

>  <URL> (853)
https://www.selleckchem.com/products/mildronate.html

>  <CAS Number> (853)
76144-81-5

$$$$
Pefloxacin mesylate dihydrate.cdx
csChFnd80/07171813002D

 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
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  2  0  0  0  0
M  END
>  <Mol_ID> (854)
1662

>  <Formula> (854)
C18H28FN3O8S

>  <MolWeight> (854)
465.4936232

>  <Item Name> (854)
Pefloxacin Mesylate Dihydrate

>  <Catalog Number> (854)
S4119

>  <Synonyms> (854)
N/A

>  <Target> (854)
Topoisomerase

>  <Form> (854)
Mesylate

>  <URL> (854)
https://www.selleckchem.com/products/pefloxacin-mesylate-dihydrate.html

>  <CAS Number> (854)
149676-40-4

$$$$
sodium phenylbutyrate.cdx
csChFnd80/07171813002D

 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> (855)
1665

>  <Formula> (855)
C10H11NaO2

>  <MolWeight> (855)
186.18291

>  <Item Name> (855)
Sodium Phenylbutyrate

>  <Catalog Number> (855)
S4125

>  <Synonyms> (855)
N/A

>  <Target> (855)
HDAC

>  <Form> (855)
Sodium Salt

>  <URL> (855)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

>  <CAS Number> (855)
1716-12-7

$$$$
Succinylcholine Chloride Dihydrate.cdx
csChFnd80/07171813002D

 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> (856)
1666

>  <Formula> (856)
C14H34Cl2N2O6

>  <MolWeight> (856)
397.33556

>  <Item Name> (856)
Succinylcholine Chloride Dihydrate

>  <Catalog Number> (856)
S4121

>  <Synonyms> (856)
Suxamethonium Chloride Dihydrate

>  <Target> (856)
AChR

>  <Form> (856)
Chloride

>  <URL> (856)
https://www.selleckchem.com/products/succinylcholine-suxamethonium-chloride-dihydrate.html

>  <CAS Number> (856)
6101-15-1

$$$$
Terbutaline sulfate.cdx
csChFnd80/07171813002D

 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> (857)
1668

>  <Formula> (857)
C24H40N2O10S

>  <MolWeight> (857)
548.6468

>  <Item Name> (857)
Terbutaline Sulfate

>  <Catalog Number> (857)
S4127

>  <Synonyms> (857)
N/A

>  <Target> (857)
Adrenergic Receptor

>  <Form> (857)
Sulfate

>  <URL> (857)
https://www.selleckchem.com/products/terbutaline-sulfate.html

>  <CAS Number> (857)
23031-32-5 

$$$$
Zebularine.cdx
csChFnd80/07171813002D

 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
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S7113

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>  <Target> (858)
DNA Methyltransferase

>  <Form> (858)
Free Base

>  <URL> (858)
https://www.selleckchem.com/products/zebularine.html

>  <CAS Number> (858)
3690-10-6

$$$$
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csChFnd80/07171813002D

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1677

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C18H16N2O2

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292.33184

>  <Item Name> (859)
(-)-Blebbistatin

>  <Catalog Number> (859)
S7099

>  <Synonyms> (859)
N/A

>  <Target> (859)
ATPase

>  <Form> (859)
Free Base

>  <URL> (859)
https://www.selleckchem.com/products/blebbistatin.html

>  <CAS Number> (859)
856925-71-8

$$$$
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GDC-0349

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RG7603

>  <Target> (860)
mTOR

>  <Form> (860)
Free Base

>  <URL> (860)
https://www.selleckchem.com/products/gdc-0349.html

>  <CAS Number> (860)
1207360-89-1

$$$$
AZD 2461.cdx
csChFnd80/07171813002D

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PARP

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Free Base

>  <URL> (861)
https://www.selleckchem.com/products/azd2461.html

>  <CAS Number> (861)
1174043-16-3

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Embelin.cdx
csChFnd80/07171813002D

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IAP

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>  <URL> (862)
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550-24-3

$$$$
KY02111.cdx
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Histone Methyltransferase

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Free Base

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https://www.selleckchem.com/products/epz004777.html

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1338466-77-5

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HSP (e.g. HSP90)

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1149705-71-4

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CDK

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HCl

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920113-03-7

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Proteasome

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M  END
>  <Mol_ID> (880)
1709

>  <Formula> (880)
C9H2Cl4O2

>  <MolWeight> (880)
283.92298

>  <Item Name> (880)
TCID

>  <Catalog Number> (880)
S7140

>  <Synonyms> (880)
UCH-L3 Inhibitor

>  <Target> (880)
DUB

>  <Form> (880)
Free Base

>  <URL> (880)
http://www.selleckchem.com/products/tcid.html

>  <CAS Number> (880)
30675-13-9

$$$$
NU6027.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (881)
1710

>  <Formula> (881)
C11H17N5O2

>  <MolWeight> (881)
251.28498

>  <Item Name> (881)
NU6027

>  <Catalog Number> (881)
S7114

>  <Synonyms> (881)
N/A

>  <Target> (881)
CDK

>  <Form> (881)
Free Base

>  <URL> (881)
http://www.selleckchem.com/products/nu6027.html

>  <CAS Number> (881)
220036-08-8

$$$$
IU1.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (882)
1711

>  <Formula> (882)
C18H21FN2O

>  <MolWeight> (882)
300.3705432

>  <Item Name> (882)
IU1

>  <Catalog Number> (882)
S7134

>  <Synonyms> (882)
N/A

>  <Target> (882)
Proteasome

>  <Form> (882)
Free Base

>  <URL> (882)
http://www.selleckchem.com/products/iu1.html

>  <CAS Number> (882)
314245-33-5

$$$$
SANT-1.cdx
csChFnd80/07171813002D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (883)
1712

>  <Formula> (883)
C23H27N5

>  <MolWeight> (883)
373.49398

>  <Item Name> (883)
SANT-1

>  <Catalog Number> (883)
S7092

>  <Synonyms> (883)
N/A

>  <Target> (883)
Smoothened

>  <Form> (883)
Free Base

>  <URL> (883)
http://www.selleckchem.com/products/sant-1.html

>  <CAS Number> (883)
304909-07-7

$$$$
Ceftriaxone sodium trihydrate.cdx
csChFnd80/07171813002D

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A   39
3.5H2O
M  END
>  <Mol_ID> (884)
1718

>  <Formula> (884)
C18H16N8Na2O7RS3

>  <MolWeight> (884)
598.54358

>  <Item Name> (884)
Ceftriaxone Sodium Trihydrate

>  <Catalog Number> (884)
S4158

>  <Synonyms> (884)
N/A

>  <Target> (884)
Antifection

>  <Form> (884)
Free Base

>  <URL> (884)
http://www.selleckchem.com/products/ceftriaxone-sodium-trihydrate.html

>  <CAS Number> (884)
104376-79-6

$$$$
Chloroquine phosphate.cdx
csChFnd80/07171813002D

 32 31  0  0  0  0  0  0  0  0999 V2000
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    6.0615    8.2873    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.3927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    9.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6993    7.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    8.2866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    9.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    7.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3365    8.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6258    0.0433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2258    1.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0932    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4932    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6932    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
M  END
>  <Mol_ID> (885)
1720

>  <Formula> (885)
C18H32ClN3O8P2

>  <MolWeight> (885)
515.862502

>  <Item Name> (885)
Chloroquine Phosphate

>  <Catalog Number> (885)
S4157

>  <Synonyms> (885)
N/A

>  <Target> (885)
Others

>  <Form> (885)
Diphosphate

>  <URL> (885)
http://www.selleckchem.com/products/chloroquine-phosphate.html

>  <CAS Number> (885)
50-63-5

$$$$
Chlortetracycline HCl.cdx
csChFnd80/07171813002D

 35 37  0  0  0  0  0  0  0  0999 V2000
    7.2888    5.8848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2888    4.4798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5023    6.5653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0863    6.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2888    3.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7155    5.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    7.9653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    5.8848    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8709    4.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5023    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6557    6.5653    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.9306    3.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4402    5.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5510    7.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7606    7.6418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9306    2.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    6.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2261    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    7.9653    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2261    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2888    7.2848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5522    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  8 13  2  0  0  0  0
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 13 20  1  0  0  0  0
 18 21  1  0  0  0  0
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 19 24  1  0  0  0  0
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 20 26  1  0  0  0  0
 20 27  2  0  0  0  0
 21 28  1  0  0  0  0
 21 24  2  0  0  0  0
 24 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (886)
1723

>  <Formula> (886)
C22H24Cl2N2O8

>  <MolWeight> (886)
515.34056

>  <Item Name> (886)
Chlortetracycline HCl

>  <Catalog Number> (886)
S4156

>  <Synonyms> (886)
N/A

>  <Target> (886)
Antifection

>  <Form> (886)
Hydrochloride

>  <URL> (886)
http://www.selleckchem.com/products/chlortetracycline-hcl.html

>  <CAS Number> (886)
64-72-2

$$$$
Eprazinone 2HCl.cdx
csChFnd80/07171813002D

 30 30  0  0  0  0  0  0  0  0999 V2000
   12.8251    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.8251    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4002    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4624    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4002    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6126   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251   11.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0375   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8251   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2499   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0375    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2499   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4624   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4624   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6748   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6748   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7561   25.7492    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   25.7492    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (887)
1739

>  <Formula> (887)
C24H34Cl2N2O2

>  <MolWeight> (887)
453.44496

>  <Item Name> (887)
Eprazinone 2HCl

>  <Catalog Number> (887)
S4137

>  <Synonyms> (887)
N/A

>  <Target> (887)
Free Base

>  <Form> (887)
HCl

>  <URL> (887)
http://www.selleckchem.com/products/eprazinone-2hcl.html

>  <CAS Number> (887)
10402-53-6

$$$$
Sodium gluconate.cdx
csChFnd80/07171813002D

 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
    6.0622    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3624    1.3617    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
>  <Mol_ID> (888)
1750

>  <Formula> (888)
C6H11NaO7

>  <MolWeight> (888)
218.13711

>  <Item Name> (888)
Sodium Gluconate

>  <Catalog Number> (888)
S4174

>  <Synonyms> (888)
N/A

>  <Target> (888)
Others

>  <Form> (888)
Sodium salt

>  <URL> (888)
http://www.selleckchem.com/products/sodium-gluconate.html

>  <CAS Number> (888)
527-07-1

$$$$
CNX-2006.cdx
csChFnd80/07171813002D

 39 42  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.1951    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
    3.6373    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 N   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
    1.9124    6.1076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.6827    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    0.6976    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
   10.9035    4.8903    0.0000 N   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
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M  END
>  <Mol_ID> (898)
1769

>  <Formula> (898)
C25H21N3O

>  <MolWeight> (898)
379.45374

>  <Item Name> (898)
Wnt-C59 (C59)

>  <Catalog Number> (898)
S7037

>  <Synonyms> (898)
N/A

>  <Target> (898)
Wnt/beta-catenin

>  <Form> (898)
Free Base

>  <URL> (898)
http://www.selleckchem.com/products/wnt-c59-c59.html

>  <CAS Number> (898)
1243243-89-1

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (899)
1770

>  <Formula> (899)
C16H19N3O4S

>  <MolWeight> (899)
349.40476

>  <Item Name> (899)
Resminostat (RAS2410)

>  <Catalog Number> (899)
S2693

>  <Synonyms> (899)
4SC-201, BYK408740

>  <Target> (899)
HDAC

>  <Form> (899)
Free Base

>  <URL> (899)
http://www.selleckchem.com/products/resminostat-ras2410.html

>  <CAS Number> (899)
864814-88-0

$$$$
>  <Mol_ID> (900)
1777

>  <Item Name> (900)
Capreomycin Sulfate

>  <Catalog Number> (900)
S4234

>  <Synonyms> (900)
N/A

>  <Target> (900)
Antifection

>  <Form> (900)
Sulfate

>  <URL> (900)
http://www.selleckchem.com/products/capreomycin-sulfate.html

>  <CAS Number> (900)
1405-37-4

$$$$
D-Phenylalanine.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (901)
1783

>  <Formula> (901)
C9H11NO2

>  <MolWeight> (901)
165.18914

>  <Item Name> (901)
D-Phenylalanine

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S4153

>  <Synonyms> (901)
N/A

>  <Target> (901)
Others

>  <Form> (901)
Free Base

>  <URL> (901)
http://www.selleckchem.com/products/d-phenylalanine.html

>  <CAS Number> (901)
673-06-3

$$$$
Florfenicol.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (902)
1785

>  <Formula> (902)
C12H14Cl2FNO4S

>  <MolWeight> (902)
358.2132632

>  <Item Name> (902)
Florfenicol

>  <Catalog Number> (902)
S4201

>  <Synonyms> (902)
N/A

>  <Target> (902)
Antifection

>  <Form> (902)
Free Base

>  <URL> (902)
http://www.selleckchem.com/products/florfenicol.html

>  <CAS Number> (902)
73231-34-2

$$$$
Nefopam HCl.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (903)
1787

>  <Formula> (903)
C17H20ClNO

>  <MolWeight> (903)
289.7998

>  <Item Name> (903)
Nefopam HCl

>  <Catalog Number> (903)
S4180

>  <Synonyms> (903)
N/A

>  <Target> (903)
Others

>  <Form> (903)
Hydrochloride

>  <URL> (903)
http://www.selleckchem.com/products/nefopam-hcl.html

>  <CAS Number> (903)
23327-57-3

$$$$
NLG-919.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (904)
1789

>  <Formula> (904)
C18H22N2O

>  <MolWeight> (904)
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>  <Item Name> (904)
NLG919

>  <Catalog Number> (904)
S7111

>  <Synonyms> (904)
N/A

>  <Target> (904)
IDO

>  <Form> (904)
Free Base

>  <URL> (904)
http://www.selleckchem.com/products/nlg919.html

>  <CAS Number> (904)
1402836-58-1

$$$$
Paromomycin Sulfate.cdx
csChFnd80/07171813002D

 50 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (905)
1790

>  <Formula> (905)
C23H47N5O18S

>  <MolWeight> (905)
713.70698

>  <Item Name> (905)
Paromomycin Sulfate

>  <Catalog Number> (905)
S4183

>  <Synonyms> (905)
N/A

>  <Target> (905)
Antifection

>  <Form> (905)
Sulfate

>  <URL> (905)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (905)
1263-89-4

$$$$

csChFnd80/07171813002D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (906)
1792

>  <Formula> (906)
C26H24N6O4S

>  <MolWeight> (906)
516.57156

>  <Item Name> (906)
Proflavine Hemisulfate

>  <Catalog Number> (906)
S4236

>  <Synonyms> (906)
N/A

>  <Target> (906)
Antifection

>  <Form> (906)
Sulfate

>  <URL> (906)
http://www.selleckchem.com/products/proflavine-hemisulfate.html

>  <CAS Number> (906)
1811-28-5

$$$$
b-AP15.cdx
csChFnd80/07171813002D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (907)
1799

>  <Formula> (907)
C22H17N3O6

>  <MolWeight> (907)
419.38688

>  <Item Name> (907)
b-AP15

>  <Catalog Number> (907)
S4920

>  <Synonyms> (907)
N/A

>  <Target> (907)
DUB

>  <Form> (907)
Free Base

>  <URL> (907)
http://www.selleckchem.com/products/b-ap15.html

>  <CAS Number> (907)
1009817-63-3

$$$$
Bismuth subcitrate potassium.cdx
csChFnd80/07171813002D

 32 24  0  0  0  0  0  0  0  0999 V2000
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    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> (908)
1800

>  <Formula> (908)
C12H10BiK5O14+2

>  <MolWeight> (908)
782.67128

>  <Item Name> (908)
Bismuth Subcitrate Potassium

>  <Catalog Number> (908)
S4093

>  <Synonyms> (908)
N/A

>  <Target> (908)
Antifection

>  <Form> (908)
Potassium salt

>  <URL> (908)
http://www.selleckchem.com/products/bismuth-subcitrate-potassium.html

>  <CAS Number> (908)
880149-29-1

$$$$
Clodronate disodium.cdx
csChFnd80/07171813002D

 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> (909)
1803

>  <Formula> (909)
CH2Cl2Na2O6P2

>  <MolWeight> (909)
288.856042

>  <Item Name> (909)
Clodronate Disodium

>  <Catalog Number> (909)
S4108

>  <Synonyms> (909)
N/A

>  <Target> (909)
Others

>  <Form> (909)
Disodium salt

>  <URL> (909)
http://www.selleckchem.com/products/clodronate-disodium.html

>  <CAS Number> (909)
22560-50-5, 10596-23-3(free base)

$$$$
Colistin sulfate.cdx
csChFnd80/07171813002D

187182  0  0  0  0  0  0  0  0999 V2000
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   20.9661   25.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   25.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661   26.5083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.0661   24.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9661   22.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   22.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661   21.6585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1613   22.8710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1613   25.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (910)
1804

>  <Formula> (910)
C104H206N32O46S5

>  <MolWeight> (910)
2801.26024

>  <Item Name> (910)
Colistin Sulfate

>  <Catalog Number> (910)
S4029

>  <Synonyms> (910)
N/A

>  <Target> (910)
Antifection

>  <Form> (910)
Sulfate

>  <URL> (910)
http://www.selleckchem.com/products/colistin-sulfate.html

>  <CAS Number> (910)
1264-72-8

$$$$
DBeQ.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (911)
1805

>  <Formula> (911)
C22H20N4

>  <MolWeight> (911)
340.421

>  <Item Name> (911)
DBeQ

>  <Catalog Number> (911)
S7199

>  <Synonyms> (911)
N/A

>  <Target> (911)
p97

>  <Form> (911)
Free Base

>  <URL> (911)
http://www.selleckchem.com/products/dbeq.html

>  <CAS Number> (911)
177355-84-9

$$$$
MDBN.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (912)
1823

>  <Formula> (912)
C9H7NO4

>  <MolWeight> (912)
193.15618

>  <Item Name> (912)
MNS (3,4-Methylenedioxy-¦Â-nitrostyrene)

>  <Catalog Number> (912)
S4921

>  <Synonyms> (912)
N/A

>  <Target> (912)
Tyrosinase,p97,Syk,Src

>  <Form> (912)
Free Base

>  <URL> (912)
http://www.selleckchem.com/products/mdbn.html

>  <CAS Number> (912)
1485-00-3

$$$$
MLN-4924.cdx
csChFnd80/07171813002D

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M  END
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1824

>  <Formula> (913)
C21H25N5O4S

>  <MolWeight> (913)
443.5193

>  <Item Name> (913)
Pevonedistat (MLN4924)

>  <Catalog Number> (913)
S7109

>  <Synonyms> (913)
N/A

>  <Target> (913)
E1 Activating

>  <Form> (913)
Free Base

>  <URL> (913)
http://www.selleckchem.com/products/mln-4924.html

>  <CAS Number> (913)
905579-51-3

$$$$
E-64.cdx
csChFnd80/07171813002D

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 10  6  1  1  0  0  0
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M  END
>  <Mol_ID> (914)
1825

>  <Formula> (914)
C15H27N5O5

>  <MolWeight> (914)
357.40538

>  <Item Name> (914)
E-64

>  <Catalog Number> (914)
S7379

>  <Synonyms> (914)
N/A

>  <Target> (914)
Cysteine Protease

>  <Form> (914)
Free Base

>  <URL> (914)
http://www.selleckchem.com/products/e-64.html

>  <CAS Number> (914)
66701-25-5

$$$$
PYR 41.cdx
csChFnd80/07171813002D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (915)
1830

>  <Formula> (915)
C17H13N3O7

>  <MolWeight> (915)
371.30102

>  <Item Name> (915)
PYR-41

>  <Catalog Number> (915)
S7129

>  <Synonyms> (915)
N/A

>  <Target> (915)
E1 Activating

>  <Form> (915)
Free Base

>  <URL> (915)
http://www.selleckchem.com/products/pyr-41.html

>  <CAS Number> (915)
418805-02-4

$$$$
Ribostamycin Sulfate.cdx
csChFnd80/07171813002D

 36 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (916)
1831

>  <Formula> (916)
C17H36N4O14S

>  <MolWeight> (916)
552.55114

>  <Item Name> (916)
Ribostamycin Sulfate

>  <Catalog Number> (916)
S4215

>  <Synonyms> (916)
N/A

>  <Target> (916)
Antifection

>  <Form> (916)
Sulfate

>  <URL> (916)
http://www.selleckchem.com/products/ribostamycin-sulfate.html

>  <CAS Number> (916)
53797-35-6

$$$$
tetramisole hydrochloride.cdx
csChFnd80/07171813002D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (917)
1836

>  <Formula> (917)
C11H13ClN2S

>  <MolWeight> (917)
240.75232

>  <Item Name> (917)
Tetramisole HCl

>  <Catalog Number> (917)
S4094

>  <Synonyms> (917)
N/A

>  <Target> (917)
Antifection

>  <Form> (917)
Hydrochloride

>  <URL> (917)
http://www.selleckchem.com/products/tetramisole-hcl.html

>  <CAS Number> (917)
5086-74-8, 5036-02-2(free base)

$$$$
Bromosporine.cdx
csChFnd80/07171813002D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (918)
1840

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C17H20N6O4S

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404.4435

>  <Item Name> (918)
Bromosporine

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S7233

>  <Synonyms> (918)
N/A

>  <Target> (918)
Epigenetic Reader Domain

>  <Form> (918)
Free Base

>  <URL> (918)
http://www.selleckchem.com/products/bromosporine.html

$$$$
14028-44-5.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (919)
1841

>  <Formula> (919)
C17H16ClN3O

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313.78144

>  <Item Name> (919)
Amoxapine

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S4218

>  <Synonyms> (919)
N/A

>  <Target> (919)
GlyT

>  <Form> (919)
Free Base

>  <URL> (919)
http://www.selleckchem.com/products/amoxapine.html

>  <CAS Number> (919)
14028-44-5

$$$$
Minocycline hydrochloride.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (920)
1861

>  <Formula> (920)
C23H28ClN3O7

>  <MolWeight> (920)
493.93732

>  <Item Name> (920)
Minocycline HCl

>  <Catalog Number> (920)
S4226

>  <Synonyms> (920)
N/A

>  <Target> (920)
Antifectio

>  <Form> (920)
Hydrochloride

>  <URL> (920)
http://www.selleckchem.com/products/minocycline-hcl.html

>  <CAS Number> (920)
13614-98-7

$$$$
NSC 405020.cdx
csChFnd80/07171813002D

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1864

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C12H15Cl2NO

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260.1596

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S8072

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MMP

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Free Base

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http://www.selleckchem.com/products/nsc-405020.html

>  <CAS Number> (921)
7497-07-6

$$$$
AZD1080.cdx
csChFnd80/07171813002D

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1872

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N/A

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GSK-3

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Free Base

>  <URL> (922)
http://www.selleckchem.com/products/azd1080.html

>  <CAS Number> (922)
612487-72-6

$$$$
192441-08-0.cdx
csChFnd80/07171813002D

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1874

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C10H8BrN5OS

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326.17242

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Lomeguatrib

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S8056

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PaTrin-2

>  <Target> (923)
DNA Methyltransferase

>  <Form> (923)
Free Base

>  <URL> (923)
http://www.selleckchem.com/products/lomeguatrib.html

>  <CAS Number> (923)
192441-08-0

$$$$
NSC319726.cdx
csChFnd80/07171813002D

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1875

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C11H14N4S

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234.32066

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NSC319726

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S7149

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N/A

>  <Target> (924)
p53

>  <Form> (924)
Free Base

>  <URL> (924)
http://www.selleckchem.com/products/nsc319726.html

>  <CAS Number> (924)
71555-25-4

$$$$
Bromfenac sodium.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (925)
1877

>  <Formula> (925)
C15H11BrNNaO3

>  <MolWeight> (925)
356.14651

>  <Item Name> (925)
Bromfenac Sodium

>  <Catalog Number> (925)
S4248

>  <Synonyms> (925)
N/A

>  <Target> (925)
COX

>  <Form> (925)
Sodium Salt

>  <URL> (925)
http://www.selleckchem.com/products/bromfenac-sodium.html

>  <CAS Number> (925)
91714-93-1

$$$$
S4246.cdx
csChFnd80/07171813002D

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relative stereochemistry
M  END
>  <Mol_ID> (926)
1879

>  <Formula> (926)
C9H12ClNR

>  <MolWeight> (926)
169.65128

>  <Item Name> (926)
Tranylcypromine (2-PCPA) HCl

>  <Catalog Number> (926)
S4246

>  <Synonyms> (926)
N/A

>  <Target> (926)
MAO

>  <Form> (926)
Hydrochloride

>  <URL> (926)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

>  <CAS Number> (926)
4548-34-9

$$$$
Apramycin Sulfate.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (927)
1884

>  <Formula> (927)
C21H43N5O15S

>  <MolWeight> (927)
637.65562

>  <Item Name> (927)
Apramycin Sulfate

>  <Catalog Number> (927)
S4254

>  <Synonyms> (927)
N/A

>  <Target> (927)
Antifection

>  <Form> (927)
Sulfate

>  <URL> (927)
http://www.selleckchem.com/products/apramycin-sulfate.html

>  <CAS Number> (927)
65710-07-8

$$$$
EPZ005687.cdx
csChFnd80/07171813002D

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Histone Methyltransferase

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1396772-26-1

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1240299-33-5

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1900

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C31H32N6O2

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Purmorphamine

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S3042

>  <Synonyms> (932)
N/A

>  <Target> (932)
Hedgehog/Smoothened

>  <Form> (932)
Free Base

>  <URL> (932)
http://www.selleckchem.com/products/purmorphamine.html

>  <CAS Number> (932)
483367-10-8

$$$$
VX-745.cdx
csChFnd80/07171813002D

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1903

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VX-745

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>  <Synonyms> (933)
N/A

>  <Target> (933)
p38 MAPK 

>  <Form> (933)
Free Base

>  <URL> (933)
http://www.selleckchem.com/products/VX-745.html

>  <CAS Number> (933)
209410-46-8

$$$$
untitled.cdx
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1904

>  <Formula> (934)
C13H16N6O4

>  <MolWeight> (934)
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>  <Item Name> (934)
Triciribine

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S1117

>  <Synonyms> (934)
N/A

>  <Target> (934)
Akt

>  <Form> (934)
Free Base

>  <URL> (934)
http://www.selleckchem.com/products/Triciribine.html

>  <CAS Number> (934)
35943-35-2

$$$$
AZD 1480.cdx
csChFnd80/07171813002D

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1905

>  <Formula> (935)
C14H14ClFN8

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>  <Item Name> (935)
AZD1480

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>  <Synonyms> (935)
N/A

>  <Target> (935)
JAK

>  <Form> (935)
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>  <URL> (935)
http://www.selleckchem.com/products/AZD1480.html

>  <CAS Number> (935)
935666-88-9, 1260222-79-4 (TFA)

$$$$
MEK162 (ARRY-438162).cdx
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Binimetinib (MEK162, ARRY-162, ARRY-438162)

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>  <Synonyms> (936)
N/A

>  <Target> (936)
MEK

>  <Form> (936)
Free Base

>  <URL> (936)
http://www.selleckchem.com/products/mek162.html

>  <CAS Number> (936)
606143-89-9

$$$$
brefeldin A.cdx
csChFnd80/07171813002D

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1909

>  <Formula> (937)
C16H24O4

>  <MolWeight> (937)
280.35936

>  <Item Name> (937)
Brefeldin A 

>  <Catalog Number> (937)
S7046

>  <Synonyms> (937)
BFA

>  <Target> (937)
ATPase

>  <Form> (937)
Free Base

>  <URL> (937)
http://www.selleckchem.com/products/brefeldin-a.html

>  <CAS Number> (937)
20350-15-6

$$$$
T0901317.cdx
csChFnd80/07171813002D

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>  <Formula> (938)
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>  <Item Name> (938)
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>  <Synonyms> (938)
N/A

>  <Target> (938)
Liver X Receptor

>  <Form> (938)
Free Base

>  <URL> (938)
http://www.selleckchem.com/products/t0901317.html

>  <CAS Number> (938)
293754-55-9

$$$$
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PDK-1

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>  <URL> (939)
http://www.selleckchem.com/products/gsk2334470.html

>  <CAS Number> (939)
1227911-45-6

$$$$
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Akt

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41276-02-2

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/07171813002D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   10.3250    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
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 18 23  2  0  0  0  0
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  5 18  1  0  0  0  0
  3 25  1  6  0  0  0
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 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (941)
1914

>  <Formula> (941)
C22H22ClN5O2

>  <MolWeight> (941)
423.89538

>  <Item Name> (941)
I-BET-762

>  <Catalog Number> (941)
S7189

>  <Synonyms> (941)
GSK525762, GSK525762A

>  <Target> (941)
Epigenetic Reader Domain

>  <Form> (941)
Free Base

>  <URL> (941)
http://www.selleckchem.com/products/i-bet-762.html

>  <CAS Number> (941)
1260907-17-2

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/07171813002D

 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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 18 21  1  0  0  0  0
 13 22  2  0  0  0  0
M  END
>  <Mol_ID> (942)
1915

>  <Formula> (942)
C16H10BrN3O2

>  <MolWeight> (942)
356.1735

>  <Item Name> (942)
BIO

>  <Catalog Number> (942)
S7198

>  <Synonyms> (942)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (942)
GSK-3

>  <Form> (942)
Free Base

>  <URL> (942)
http://www.selleckchem.com/products/bio.html

>  <CAS Number> (942)
667463-62-9

$$$$
Fosbretabulin disodium (Combretastatin A-4 phosphate disodium, CA4P disodium).cdx
csChFnd80/07171813002D

 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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  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
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M  END
>  <Mol_ID> (943)
1916

>  <Formula> (943)
C18H19Na2O8P

>  <MolWeight> (943)
440.291961

>  <Item Name> (943)
Fosbretabulin (Combretastatin A4 Phosphate, 

>  <Catalog Number> (943)
S7204

>  <Synonyms> (943)
N/A

>  <Target> (943)
Microtubule Associated

>  <Form> (943)
Disodium salt

>  <URL> (943)
http://www.selleckchem.com/products/fosbretabulin-disodium-combretastatin-a-4-phosphate-dis

>  <CAS Number> (943)
168555-66-6

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/07171813002D

 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
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M  END
>  <Mol_ID> (944)
1919

>  <Formula> (944)
C17H13N5

>  <MolWeight> (944)
287.31862

>  <Item Name> (944)
RepSox

>  <Catalog Number> (944)
S7223

>  <Synonyms> (944)
E-616452, SJN 2511

>  <Target> (944)
TGF-beta/Smad

>  <Form> (944)
Free Base

>  <URL> (944)
http://www.selleckchem.com/products/repsox.html

>  <CAS Number> (944)
446859-33-2

$$$$
RGFP966.cdx
csChFnd80/07171813002D

 27 29  0  0  0  0  0  0  0  0999 V2000
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HDAC

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http://www.selleckchem.com/products/rgfp966.html

>  <CAS Number> (945)
1396841-57-8

$$$$
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csChFnd80/07171813002D

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1921

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C15H22N2O2

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Ferrostatin-1 (Fer-1)

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S7243

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N/A

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Ferroptosis

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Free Base

>  <URL> (946)
http://www.selleckchem.com/products/ferrostatin-1-fer-1.html

>  <CAS Number> (946)
347174-05-4

$$$$
AZD2858.cdx
csChFnd80/07171813002D

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1922

>  <Formula> (947)
C21H23N7O3S

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453.51742

>  <Item Name> (947)
AZD2858

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S7253

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N/A

>  <Target> (947)
GSK-3

>  <Form> (947)
Free Base

>  <URL> (947)
http://www.selleckchem.com/products/azd2858.html

>  <CAS Number> (947)
486424-20-8

$$$$
¦Â-Lapachone (ARQ-501).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (948)
1923

>  <Formula> (948)
C15H14O3

>  <MolWeight> (948)
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>  <Item Name> (948)
Beta-Lapachone

>  <Catalog Number> (948)
S7261

>  <Synonyms> (948)
¦Â-Lapachone, ARQ-501

>  <Target> (948)
Topoisomerase

>  <Form> (948)
Free Base

>  <URL> (948)
http://www.selleckchem.com/products/beta-lapachone.html

>  <CAS Number> (948)
4707-32-8

$$$$
ZM39923 HCl.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (949)
1924

>  <Formula> (949)
C23H26ClNO

>  <MolWeight> (949)
367.91164

>  <Item Name> (949)
ZM 39923 HCl

>  <Catalog Number> (949)
S8004

>  <Synonyms> (949)
N/A

>  <Target> (949)
JAK

>  <Form> (949)
HCl

>  <URL> (949)
http://www.selleckchem.com/products/zm-39923-hcl.html

>  <CAS Number> (949)
1021868-92-7

$$$$
dynasore .cdx
csChFnd80/07171813002D

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Dynasore

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S8047

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N/A

>  <Target> (950)
Dynamin

>  <Form> (950)
Free Base

>  <URL> (950)
http://www.selleckchem.com/products/dynasore.html

>  <CAS Number> (950)
304448-55-3

$$$$
PluriSln 1(NSC 14613).cdx
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N/A

>  <Target> (951)
Dehydrogenase

>  <Form> (951)
Free Base

>  <URL> (951)
http://www.selleckchem.com/products/PluriSIn-1-nsc-14613.html

>  <CAS Number> (951)
91396-88-2

$$$$
SGC 0946.cdx
csChFnd80/07171813002D

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1927

>  <Formula> (952)
C28H40BrN7O4

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>  <Item Name> (952)
SGC 0946

>  <Catalog Number> (952)
S7079

>  <Synonyms> (952)
N/A

>  <Target> (952)
Histone Methyltransferase

>  <Form> (952)
Free Base

>  <URL> (952)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
Erastin.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (953)
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>  <Formula> (953)
C30H31ClN4O4

>  <MolWeight> (953)
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>  <Item Name> (953)
Erastin

>  <Catalog Number> (953)
S7242

>  <Synonyms> (953)
N/A

>  <Target> (953)
Ferroptosis

>  <Form> (953)
Free Base

>  <URL> (953)
http://www.selleckchem.com/products/erastin.html

>  <CAS Number> (953)
571203-78-6

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/07171813002D

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  7 12  1  0  0  0  0
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M  END
>  <Mol_ID> (954)
1930

>  <Formula> (954)
C26H27N5O5S2

>  <MolWeight> (954)
553.65308

>  <Item Name> (954)
Ro 31-8220 Mesylate

>  <Catalog Number> (954)
S7207

>  <Synonyms> (954)
Bisindolylmaleimide IX Mesylate

>  <Target> (954)
PKC

>  <Form> (954)
Mesylate

>  <URL> (954)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

>  <CAS Number> (954)
138489-18-6

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/07171813002D

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    5.0680    5.1875    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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  9 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (955)
1931

>  <Formula> (955)
C8H7NO2S

>  <MolWeight> (955)
181.21168

>  <Item Name> (955)
Pifithrin-¦Ì

>  <Catalog Number> (955)
S2930

>  <Synonyms> (955)
NSC 303580, PFT¦Ì

>  <Target> (955)
p53

>  <Form> (955)
Free Base

>  <URL> (955)
http://www.selleckchem.com/products/pifithrin-u.html

>  <CAS Number> (955)
64984-31-2

$$$$
Bardoxolone Methyl.cdx
csChFnd80/07171813002D

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 23 24  2  0  0  0  0
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M  END
>  <Mol_ID> (956)
1933

>  <Formula> (956)
C32H43NO4

>  <MolWeight> (956)
505.68812

>  <Item Name> (956)
Bardoxolone Methyl

>  <Catalog Number> (956)
S8078

>  <Synonyms> (956)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (956)
I¦ÊB/IKK

>  <Form> (956)
Free Base

>  <URL> (956)
http://www.selleckchem.com/products/bardoxolone-methyl.html

>  <CAS Number> (956)
218600-53-4

$$$$
CZC24832.cdx
csChFnd80/07171813002D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (957)
1934

>  <Formula> (957)
C15H17FN6O2S

>  <MolWeight> (957)
364.3978832

>  <Item Name> (957)
CZC24832

>  <Catalog Number> (957)
S7018

>  <Synonyms> (957)
N/A

>  <Target> (957)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (957)
Free Base

>  <URL> (957)
http://www.selleckchem.com/products/czc24832.html

>  <CAS Number> (957)
1159824-67-5

$$$$
SGI-1027.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (958)
1936

>  <Formula> (958)
C27H23N7O

>  <MolWeight> (958)
461.51782

>  <Item Name> (958)
SGI-1027

>  <Catalog Number> (958)
S7276

>  <Synonyms> (958)
DNA Methyltransferase Inhibitor II

>  <Target> (958)
DNA Methyltransferase

>  <Form> (958)
Free Base

>  <URL> (958)
http://www.selleckchem.com/products/sgi-1027.html

>  <CAS Number> (958)
1020149-73-8

$$$$
ETP-46464.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (959)
1938

>  <Formula> (959)
C30H22N4O2

>  <MolWeight> (959)
470.52128

>  <Item Name> (959)
ETP-46464

>  <Catalog Number> (959)
S8050

>  <Synonyms> (959)
N/A

>  <Target> (959)
mTOR

>  <Form> (959)
Free Base

>  <URL> (959)
http://www.selleckchem.com/products/etp-46464.html

>  <CAS Number> (959)
1345675-02-6

$$$$
Golgicide A.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (960)
1939

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C17H14F2N2

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>  <Item Name> (960)
Golgicide A

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S7266

>  <Synonyms> (960)
N/A

>  <Target> (960)
ATPase

>  <Form> (960)
Free Base

>  <URL> (960)
http://www.selleckchem.com/products/golgicide-a.html

>  <CAS Number> (960)
1139889-93-2

$$$$
XL388.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (961)
1940

>  <Formula> (961)
C23H22FN3O4S

>  <MolWeight> (961)
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>  <Item Name> (961)
XL388

>  <Catalog Number> (961)
S7035

>  <Synonyms> (961)
N/A

>  <Target> (961)
mTOR

>  <Form> (961)
Free Base

>  <URL> (961)
http://www.selleckchem.com/products/xl388.html

>  <CAS Number> (961)
1251156-08-7

$$$$
CO-1686(AVL-301).cdx
csChFnd80/07171813002D

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1941

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C27H28F3N7O3

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Rociletinib (CO-1686, AVL-301)

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S7284

>  <Synonyms> (962)
CNX-419, AVL-301

>  <Target> (962)
EGFR

>  <Form> (962)
Free Base

>  <URL> (962)
http://www.selleckchem.com/products/co-1686.html

>  <CAS Number> (962)
1374640-70-6

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/07171813002D

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1942

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C24H27Cl2N5O

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>  <Item Name> (963)
Dorsomorphin (Compound C) 2HCl

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S7306

>  <Synonyms> (963)
BML-275,Compound C

>  <Target> (963)
AMPK

>  <Form> (963)
Dihydrochloride

>  <URL> (963)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

>  <CAS Number> (963)
1219168-18-9

$$$$
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csChFnd80/07171813002D

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Rac

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Free Base

>  <URL> (964)
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1380432-32-5

$$$$
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csChFnd80/07171813002D

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CRM1

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Free Base

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1333151-73-7

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>  <Mol_ID> (967)
1946

>  <Formula> (967)
C24H21F2NO4

>  <MolWeight> (967)
425.4246464

>  <Item Name> (967)
Skepinone-L

>  <Catalog Number> (967)
S7214

>  <Synonyms> (967)
N/A

>  <Target> (967)
p38 MAPK

>  <Form> (967)
Free Base

>  <URL> (967)
http://www.selleckchem.com/products/skepinone-l.html

>  <CAS Number> (967)
1221485-83-1

$$$$
Emtricitabine.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (968)
2059

>  <Formula> (968)
C8H10FN3O3S

>  <MolWeight> (968)
247.2467032

>  <Item Name> (968)
Emtricitabine

>  <Catalog Number> (968)
S1704

>  <Synonyms> (968)
Atripla

>  <Target> (968)
Reverse Transcriptase

>  <Form> (968)
Free Base

>  <URL> (968)
http://www.selleckchem.com/products/Emtricitabine.html

>  <CAS Number> (968)
143491-57-0

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/07171813002D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (969)
2069

>  <Formula> (969)
C15H12O7

>  <MolWeight> (969)
304.25158

>  <Item Name> (969)
Taxifolin (Dihydroquercetin)

>  <Catalog Number> (969)
S2366

>  <Synonyms> (969)
Dihydroquercetin, Taxifolin-(+)

>  <Target> (969)
VEGFR

>  <Form> (969)
Free Base

>  <URL> (969)
http://www.selleckchem.com/products/Taxifolin(Dihydroquercetin).html

>  <CAS Number> (969)
480-18-2

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (970)
2076

>  <Formula> (970)
C22H29FN3O9P

>  <MolWeight> (970)
529.4525242

>  <Item Name> (970)
Sofosbuvir(PSI-7977)

>  <Catalog Number> (970)
S2794

>  <Synonyms> (970)
N/A

>  <Target> (970)
DNA/RNA Synthesis

>  <Form> (970)
Free Base

>  <URL> (970)
http://www.selleckchem.com/products/psi-7977-gs-7977.html

>  <CAS Number> (970)
1190307-88-0

$$$$
Vilazodone Hydrochloride.cdx
csChFnd80/07171813002D

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Vilazodone Hydrochloride

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S4259 

>  <Synonyms> (971)
N/A

>  <Target> (971)
Others

>  <Form> (971)
Hydrochloride

>  <URL> (971)
http://www.selleckchem.com/products/vilazodone-hcl.html

>  <CAS Number> (971)
163521-08-2

$$$$
bms-345541.cdx
csChFnd80/07171813002D

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N/A

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I¦ÊB/IKK

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Free Base

>  <URL> (972)
http://www.selleckchem.com/products/bms-345541.html

>  <CAS Number> (972)
445430-58-0

$$$$
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csChFnd80/07171813002D

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2087

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>  <Item Name> (973)
Tazemetostat (EPZ-6438)

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>  <Synonyms> (973)
E7438

>  <Target> (973)
Histone Methyltransferase

>  <Form> (973)
Free Base

>  <URL> (973)
http://www.selleckchem.com/products/epz-6438.html

>  <CAS Number> (973)
1403254-99-8

$$$$
TELAPREVIR (VX-950).cdx
csChFnd80/07171813002D

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2092

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C36H53N7O6

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Telaprevir (VX-950)

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>  <Synonyms> (974)
LY-570310, MP-424

>  <Target> (974)
HCV Protease

>  <Form> (974)
Free Base

>  <URL> (974)
http://www.selleckchem.com/products/Telaprevir(VX-950).html

>  <CAS Number> (974)
402957-28-2

$$$$
IOWH 032.cdx
csChFnd80/07171813002D

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Raf

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1228591-30-7

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Caspase

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519055-62-0

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Histone Methyltransferase

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1431612-23-5

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N/A

>  <Target> (987)
Dynamin

>  <Form> (987)
Free Base

>  <URL> (987)
http://www.selleckchem.com/products/mdivi-1.html

>  <CAS Number> (987)
338967-87-6

$$$$
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csChFnd80/07171813002D

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DYRK

>  <Form> (988)
Free Base

>  <URL> (988)
http://www.selleckchem.com/products/az191.html

$$$$
MM-102.cdx
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>  <Mol_ID> (989)
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>  <Formula> (989)
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HMTase Inhibitor IX

>  <Target> (989)
Histone Methyltransferase

>  <Form> (989)
Free Base

>  <URL> (989)
http://www.selleckchem.com/products/mm-102.html

>  <CAS Number> (989)
1417329-24-8

$$$$
Pacritinib (SB1518).cdx
csChFnd80/07171813002D

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>  <Item Name> (990)
Pacritinib (SB1518)

>  <Catalog Number> (990)
S8057

>  <Synonyms> (990)
N/A

>  <Target> (990)
JAK

>  <Form> (990)
Free Base

>  <URL> (990)
http://www.selleckchem.com/products/pacritinib-sb1518.html

>  <CAS Number> (990)
937272-79-2

$$$$
Rilpivirine.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (991)
2112

>  <Formula> (991)
C22H18N6

>  <MolWeight> (991)
366.41852

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Rilpivirine

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S7303

>  <Synonyms> (991)
R278474, TMC278

>  <Target> (991)
Reverse Transcriptase

>  <Form> (991)
Free Base

>  <URL> (991)
http://www.selleckchem.com/products/rilpivirine.html

>  <CAS Number> (991)
500287-72-9

$$$$
JSH-23.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (992)
2113

>  <Formula> (992)
C16H20N2

>  <MolWeight> (992)
240.3434

>  <Item Name> (992)
JSH-23

>  <Catalog Number> (992)
S7351

>  <Synonyms> (992)
N/A

>  <Target> (992)
NF-¦ÊB

>  <Form> (992)
Free Base

>  <URL> (992)
http://www.selleckchem.com/products/jsh-23.html

>  <CAS Number> (992)
749886-87-1

$$$$
RG2833 (RGFP109).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (993)
2115

>  <Formula> (993)
C20H25N3O2

>  <MolWeight> (993)
339.4314

>  <Item Name> (993)
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>  <Catalog Number> (993)
S7292 

>  <Synonyms> (993)
N/A

>  <Target> (993)
HDAC

>  <Form> (993)
Free Base

>  <URL> (993)
http://www.selleckchem.com/products/rg2833-rgfp109.html

>  <CAS Number> (993)
1215493-56-3

$$$$
TG003.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (994)
2120

>  <Formula> (994)
C13H15NO2S

>  <MolWeight> (994)
249.3287

>  <Item Name> (994)
TG003

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S7320

>  <Synonyms> (994)
N/A

>  <Target> (994)
CDK

>  <Form> (994)
Free Base

>  <URL> (994)
http://www.selleckchem.com/products/tg003.html

>  <CAS Number> (994)
300801-52-9

$$$$
WZ4003.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (995)
2121

>  <Formula> (995)
C25H29ClN6O3

>  <MolWeight> (995)
496.98916

>  <Item Name> (995)
WZ4003

>  <Catalog Number> (995)
S7317

>  <Synonyms> (995)
N/A

>  <Target> (995)
AMPK

>  <Form> (995)
Free Base

>  <URL> (995)
http://www.selleckchem.com/products/wz4003.html

>  <CAS Number> (995)
1214265-58-3

$$$$
ID-8.cdx
csChFnd80/07171813002D

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DYRK

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Free Base

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147591-46-6

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CRM1

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Free Base

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http://www.selleckchem.com/products/kpt-330.html

>  <CAS Number> (997)
1393477-72-9

$$$$
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csChFnd80/07171813002D

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p97

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Free Base

>  <URL> (998)
http://www.selleckchem.com/products/nms-873.html

>  <CAS Number> (998)
1418013-75-8

$$$$
Caffeic acid phenethyl ester(CAPE).cdx
csChFnd80/07171813002D

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104594-70-9

$$$$
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phosphatase

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1229208-44-9

$$$$
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No

$$$$
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>  <MolWeight> (1,047)
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>  <Item Name> (1,047)
Vinorelbine Tartrate

>  <Catalog Number> (1,047)
S4269

>  <Synonyms> (1,047)
N/A

>  <Target> (1,047)
Microtubule Associated

>  <Form> (1,047)
Tartrate

>  <URL> (1,047)
http://www.selleckchem.com/products/vinorelbine-tartrate.html

>  <CAS Number> (1,047)
125317-39-7

$$$$
E-64c (Loxistatin Acid).cdx
csChFnd80/07171813002D

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2190

>  <Formula> (1,048)
C15H26N2O5

>  <MolWeight> (1,048)
314.37734

>  <Item Name> (1,048)
Loxistatin Acid (E-64C)

>  <Catalog Number> (1,048)
S7392

>  <Synonyms> (1,048)
NSC 694279, EP 475

>  <Target> (1,048)
Cysteine Protease

>  <Form> (1,048)
Free Base

>  <URL> (1,048)
http://www.selleckchem.com/products/loxistatin-acid-e-64c.html

>  <CAS Number> (1,048)
76684-89-4

$$$$
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csChFnd80/07171813002D

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2193

>  <Formula> (1,049)
C18H20FN5O2

>  <MolWeight> (1,049)
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Trelagliptin

>  <Catalog Number> (1,049)
S7513

>  <Synonyms> (1,049)
SYR-472

>  <Target> (1,049)
DPP-4

>  <Form> (1,049)
Free Base

>  <URL> (1,049)
http://www.selleckchem.com/products/trelagliptin.html

>  <CAS Number> (1,049)
865759-25-7

$$$$
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csChFnd80/07171813002D

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PU-H71

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NSC 750424

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HSP 

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Free Base

>  <URL> (1,050)
http://www.selleckchem.com/products/pu-h71.html

>  <CAS Number> (1,050)
873436-91-0

$$$$
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csChFnd80/07171813002D

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INH1

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N/A

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Microtubule Associated

>  <Form> (1,079)
Free Base

>  <URL> (1,079)
http://www.selleckchem.com/products/inh1.html

>  <CAS Number> (1,079)
313553-47-8

$$$$
PTC-209 HBr.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,080)
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>  <Formula> (1,080)
C17H14Br3N5OS

>  <MolWeight> (1,080)
576.10296

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PTC-209 HBr

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S7539

>  <Synonyms> (1,080)
N/A

>  <Target> (1,080)
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>  <Form> (1,080)
Free Base

>  <URL> (1,080)
http://www.selleckchem.com/products/ptc-209-hbr.html

>  <CAS Number> (1,080)
1217022-63-3

$$$$
CX-6258 HCl .cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,081)
2231

>  <Formula> (1,081)
C26H25Cl2N3O3

>  <MolWeight> (1,081)
498.401

>  <Item Name> (1,081)
CX-6258 HCl

>  <Catalog Number> (1,081)
S7041

>  <Synonyms> (1,081)
N/A

>  <Target> (1,081)
Pim

>  <Form> (1,081)
Hydrochloride

>  <URL> (1,081)
http://www.selleckchem.com/products/CX-6258.html

>  <CAS Number> (1,081)
1353859-00-3

$$$$
EHT 1864.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,082)
2232

>  <Formula> (1,082)
C25H29Cl2F3N2O4S

>  <MolWeight> (1,082)
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>  <Item Name> (1,082)
EHT 1864 2HCl

>  <Catalog Number> (1,082)
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>  <Synonyms> (1,082)
N/A

>  <Target> (1,082)
Rho

>  <Form> (1,082)
Dihydrochloride

>  <URL> (1,082)
http://www.selleckchem.com/products/eht-1864.html

>  <CAS Number> (1,082)
754240-09-0

$$$$
EMD 1214063.cdx
csChFnd80/07171813002D

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BTK

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http://www.selleckchem.com/products/cgi1746.html

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910232-84-7

$$$$
PI-1840.cdx
csChFnd80/07171813002D

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N/A

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Proteasome

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Free Base

>  <URL> (1,092)
http://www.selleckchem.com/products/pi-1840.html

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1401223-22-0

$$$$
(-)-p-Bromotetramisole oxalate.cdx
csChFnd80/07171813002D

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2244

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C13H13BrN2O4S

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(-)-p-Bromotetramisole Oxalate

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S7383

>  <Synonyms> (1,093)
L-p-Bromotetramisole Oxalate

>  <Target> (1,093)
Others

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Oxalate

>  <URL> (1,093)
http://www.selleckchem.com/products/--p-Bromotetramisole-Oxalate.html

>  <CAS Number> (1,093)
62284-79-1

$$$$
AEBSF hydrochloride .cdx
csChFnd80/07171813002D

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2245

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AEBSF HCl

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Serine Protease

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>  <URL> (1,094)
http://www.selleckchem.com/products/aebsf-hcl.html

>  <CAS Number> (1,094)
30827-99-7

$$$$
MALT1 inhibitor.cdx
csChFnd80/07171813002D

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2248

>  <Formula> (1,095)
C19H17Cl3N4O3

>  <MolWeight> (1,095)
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MI-2 (MALT1 inhibitor)

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S7429

>  <Synonyms> (1,095)
N/A

>  <Target> (1,095)
MALT

>  <Form> (1,095)
Free Base

>  <URL> (1,095)
http://www.selleckchem.com/products/mi-2-malt1-inhibitor.html

>  <CAS Number> (1,095)
1047953-91-2

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/07171813002D

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103476-89-7

$$$$
Puromycin dihydrochloride.cdx
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>  <Synonyms> (1,101)
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Antifection

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>  <URL> (1,101)
http://www.selleckchem.com/products/Puromycin-2HCl.html

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58-58-2

$$$$
TMP269.cdx
csChFnd80/07171813002D

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1314890-29-3

$$$$
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348086-71-5

$$$$
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csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,112)
2269

>  <Formula> (1,112)
C21H18Cl2N4OS

>  <MolWeight> (1,112)
445.36482

>  <Item Name> (1,112)
PD173955

>  <Catalog Number> (1,112)
S7269

>  <Synonyms> (1,112)
N/A 

>  <Target> (1,112)
Bcr-Abl

>  <Form> (1,112)
Free Base

>  <URL> (1,112)
http://www.selleckchem.com/products/pd173955.html

>  <CAS Number> (1,112)
260415-63-2

$$$$
Nelfinavir mesylate .cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,113)
2270

>  <Formula> (1,113)
C33H49N3O7S2

>  <MolWeight> (1,113)
663.88806

>  <Item Name> (1,113)
Nelfinavir Mesylate

>  <Catalog Number> (1,113)
S4282

>  <Synonyms> (1,113)
N/A

>  <Target> (1,113)
HIV Protease

>  <Form> (1,113)
Mesylate

>  <URL> (1,113)
http://www.selleckchem.com/products/nelfinavir-mesylate.html

>  <CAS Number> (1,113)
159989-65-8

$$$$
Rilmenidine phosphate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,114)
2271

>  <Formula> (1,114)
C10H19N2O5P

>  <MolWeight> (1,114)
278.242021

>  <Item Name> (1,114)
Rilmenidine Phosphate

>  <Catalog Number> (1,114)
S7548

>  <Synonyms> (1,114)
N/A

>  <Target> (1,114)
Others

>  <Form> (1,114)
Phosphate

>  <URL> (1,114)
http://www.selleckchem.com/products/rilmenidine-phosphate.html

>  <CAS Number> (1,114)
85409-38-7

$$$$
Demeclocycline hydrochloride.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,115)
2274

>  <Formula> (1,115)
C21H22Cl2N2O8

>  <MolWeight> (1,115)
501.31398

>  <Item Name> (1,115)
Demeclocycline HCl

>  <Catalog Number> (1,115)
S4279

>  <Synonyms> (1,115)
N/A

>  <Target> (1,115)
Antifection

>  <Form> (1,115)
Hydrochloride

>  <URL> (1,115)
http://www.selleckchem.com/products/demeclocycline-hci.html

>  <CAS Number> (1,115)
64-73-3

$$$$
Cyclobenzaprine HCl.cdx
csChFnd80/07171813002D

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M  CFW  17 B_NG_STER 2
M  END
>  <Mol_ID> (1,116)
2275

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C20H22ClN

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>  <Item Name> (1,116)
Cyclobenzaprine HCl

>  <Catalog Number> (1,116)
S4283

>  <Synonyms> (1,116)
N/A

>  <Target> (1,116)
5-HT Receptor

>  <Form> (1,116)
Hydrochloride

>  <URL> (1,116)
http://www.selleckchem.com/products/cyclobenzaprine-hci.html

>  <CAS Number> (1,116)
6202-23-9

$$$$
SB-3CT.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,117)
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>  <Formula> (1,117)
C15H14O3S2

>  <MolWeight> (1,117)
306.39986

>  <Item Name> (1,117)
SB-3CT

>  <Catalog Number> (1,117)
S7430

>  <Synonyms> (1,117)
N/A

>  <Target> (1,117)
MMP

>  <Form> (1,117)
Free Base

>  <URL> (1,117)
http://www.selleckchem.com/products/sb-3ct.html

>  <CAS Number> (1,117)
292605-14-2

$$$$
Anidulafungin.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,118)
2278

>  <Formula> (1,118)
C58H73N7O17

>  <MolWeight> (1,118)
1140.23692

>  <Item Name> (1,118)
Anidulafungin (LY303366)

>  <Catalog Number> (1,118)
S4286

>  <Synonyms> (1,118)
N/A

>  <Target> (1,118)
Antifection

>  <Form> (1,118)
Free Base

>  <URL> (1,118)
http://www.selleckchem.com/products/anidulafungin-ly303366.html

>  <CAS Number> (1,118)
166663-25-8

$$$$
Chloroambucil.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,119)
2279

>  <Formula> (1,119)
C14H19Cl2NO2

>  <MolWeight> (1,119)
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>  <Item Name> (1,119)
Chloroambucil

>  <Catalog Number> (1,119)
S4288

>  <Synonyms> (1,119)
Chlorambucil

>  <Target> (1,119)
DNA/RNA Synthesis

>  <Form> (1,119)
Free Base

>  <URL> (1,119)
http://www.selleckchem.com/products/chloroambucil.html

>  <CAS Number> (1,119)
305-03-3

$$$$
Bambuterol HCl.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,120)
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>  <Formula> (1,120)
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Bambuterol HCl

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S4277

>  <Synonyms> (1,120)
N/A

>  <Target> (1,120)
Adrenergic Receptor

>  <Form> (1,120)
Hydrochloride

>  <URL> (1,120)
http://www.selleckchem.com/products/bambuterol-hci.html

>  <CAS Number> (1,120)
81732-46-9

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/07171813002D

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>  <Formula> (1,121)
C16H21ClIN3O4S

>  <MolWeight> (1,121)
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>  <Item Name> (1,121)
K-Ras(G12C) inhibitor 9

>  <Catalog Number> (1,121)
S7332

>  <Synonyms> (1,121)
N/A

>  <Target> (1,121)
Rho

>  <Form> (1,121)
Free Base

>  <URL> (1,121)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

>  <CAS Number> (1,121)
1469337-91-4

$$$$
SH-4-54.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,122)
2282

>  <Formula> (1,122)
C29H27F5N2O5S

>  <MolWeight> (1,122)
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>  <Item Name> (1,122)
SH-4-54

>  <Catalog Number> (1,122)
S7337

>  <Synonyms> (1,122)
N/A

>  <Target> (1,122)
STAT

>  <Form> (1,122)
Free Base

>  <URL> (1,122)
http://www.selleckchem.com/products/sh-4-54.html

>  <CAS Number> (1,122)
1456632-40-8

$$$$
GDC0994.cdx
csChFnd80/07171813002D

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>  <Formula> (1,123)
C21H18ClFN6O2

>  <MolWeight> (1,123)
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>  <Item Name> (1,123)
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>  <Catalog Number> (1,123)
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>  <Synonyms> (1,123)
N/A

>  <Target> (1,123)
ERK

>  <Form> (1,123)
Free Base

>  <URL> (1,123)
http://www.selleckchem.com/products/gdc-0994.html

>  <CAS Number> (1,123)
1453848-26-4

$$$$
Micafungin sodium.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,124)
2286

>  <Formula> (1,124)
C56H70N9NaO23S

>  <MolWeight> (1,124)
1292.25627

>  <Item Name> (1,124)
Micafungin Sodium

>  <Catalog Number> (1,124)
S4287

>  <Synonyms> (1,124)
FK463 Sodium

>  <Target> (1,124)
Antifection

>  <Form> (1,124)
Sodium Salt

>  <URL> (1,124)
http://www.selleckchem.com/products/micafungin-sodium.html

>  <CAS Number> (1,124)
208538-73-2

$$$$
Zotarolimus.cdx
csChFnd80/07171813002D

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csChFnd80/07171813002D

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Go6976.cdx
csChFnd80/07171813002D

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csChFnd80/07171813002D

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837422-57-8

$$$$
N6022.cdx
csChFnd80/07171813002D

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1208315-24-5

$$$$
Phosphoramidon disodium salt.cdx
csChFnd80/07171813002D

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Phosphoramidon Disodium Salt

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>  <Synonyms> (1,131)
N/A

>  <Target> (1,131)
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Disodium Salt

>  <URL> (1,131)
http://www.selleckchem.com/products/phosphoramidon-disodium-salt.html

>  <CAS Number> (1,131)
164204-38-0

$$$$
Digoxin .cdx
csChFnd80/07171813002D

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Sodium Channel

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Free Base

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

>  <CAS Number> (1,132)
20830-75-5

$$$$
Dicoumarol.cdx
csChFnd80/07171813002D

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>  <Formula> (1,133)
C19H12O6

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Dicoumarol

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S4299

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Dicumarol

>  <Target> (1,133)
Others

>  <Form> (1,133)
Free Base

>  <URL> (1,133)
http://www.selleckchem.com/products/dicoumarol.html

>  <CAS Number> (1,133)
66-76-2

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,134)
2297

>  <Formula> (1,134)
C19H17NO3

>  <MolWeight> (1,134)
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>  <Item Name> (1,134)
SF1670 (PTEN inhibitor)

>  <Catalog Number> (1,134)
S7310

>  <Synonyms> (1,134)
N/A

>  <Target> (1,134)
PTEN

>  <Form> (1,134)
Free Base

>  <URL> (1,134)
http://www.selleckchem.com/products/sf1670.html

>  <CAS Number> (1,134)
345630-40-2

$$$$
IM-12.cdx
csChFnd80/07171813002D

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2298

>  <Formula> (1,135)
C22H20FN3O2

>  <MolWeight> (1,135)
377.4115032

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IM-12

>  <Catalog Number> (1,135)
S7566

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N/A

>  <Target> (1,135)
GSK-3

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Free Base

>  <URL> (1,135)
http://www.selleckchem.com/products/im-12.html

>  <CAS Number> (1,135)
1129669-05-1

$$$$
Procainamide hydrochloride.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,136)
2299

>  <Formula> (1,136)
C13H22ClN3O

>  <MolWeight> (1,136)
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>  <Item Name> (1,136)
Procainamide HCl

>  <Catalog Number> (1,136)
S4294

>  <Synonyms> (1,136)
N/A

>  <Target> (1,136)
Sodium Channel

>  <Form> (1,136)
Hydrochloride

>  <URL> (1,136)
http://www.selleckchem.com/products/procainamide-hcl.html

>  <CAS Number> (1,136)
614-39-1

$$$$
deltarasin.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,137)
2301

>  <Formula> (1,137)
C40H37N5O

>  <MolWeight> (1,137)
603.75468

>  <Item Name> (1,137)
Deltarasin

>  <Catalog Number> (1,137)
S7224

>  <Synonyms> (1,137)
N/A

>  <Target> (1,137)
PDE

>  <Form> (1,137)
Free Base

>  <URL> (1,137)
http://www.selleckchem.com/products/deltarasin.html

>  <CAS Number> (1,137)
1440898-61-2

$$$$
 Optovin.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,138)
2302

>  <Formula> (1,138)
C15H13N3OS2

>  <MolWeight> (1,138)
315.41322

>  <Item Name> (1,138)
Optovin

>  <Catalog Number> (1,138)
S8073

>  <Synonyms> (1,138)
N/A

>  <Target> (1,138)
Calcium Channel

>  <Form> (1,138)
Free Base

>  <URL> (1,138)
http://www.selleckchem.com/products/optovin.html

>  <CAS Number> (1,138)
348575-88-2

$$$$
Amifostine .cdx
csChFnd80/07171813002D

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   16.7669    2.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.0972    2.6835    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,139)
2303

>  <Formula> (1,139)
C5H21N2O6PS

>  <MolWeight> (1,139)
268.268801

>  <Item Name> (1,139)
Amifostine

>  <Catalog Number> (1,139)
S4298

>  <Synonyms> (1,139)
N/A

>  <Target> (1,139)
Others

>  <Form> (1,139)
Trihydrate

>  <URL> (1,139)
http://www.selleckchem.com/products/amifostine.html

>  <CAS Number> (1,139)
112901-68-5

$$$$
Meclofenamate sodium.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,140)
2304

>  <Formula> (1,140)
C14H10Cl2NNaO2

>  <MolWeight> (1,140)
318.13047

>  <Item Name> (1,140)
Meclofenamate sodium

>  <Catalog Number> (1,140)
S4295

>  <Synonyms> (1,140)
N/A

>  <Target> (1,140)
COX

>  <Form> (1,140)
Sodium Salt

>  <URL> (1,140)
http://www.selleckchem.com/products/meclofenamate-sodium.html

>  <CAS Number> (1,140)
6385-02-0

$$$$
Mefloquine hydrochloride.cdx
csChFnd80/07171813002D

 28 29  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,141)
2305

>  <Formula> (1,141)
C17H17ClF6N2O

>  <MolWeight> (1,141)
414.7730992

>  <Item Name> (1,141)
Mefloquine HCl

>  <Catalog Number> (1,141)
S4420

>  <Synonyms> (1,141)
N/A

>  <Target> (1,141)
Antifection

>  <Form> (1,141)
Hydrochloride

>  <URL> (1,141)
http://www.selleckchem.com/products/mefloquine-hcl.html

>  <CAS Number> (1,141)
51773-92-3

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/07171813002D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,142)
2306

>  <Formula> (1,142)
C20H18FN5O2

>  <MolWeight> (1,142)
379.3876232

>  <Item Name> (1,142)
HSP990 (NVP-HSP990)

>  <Catalog Number> (1,142)
S7097

>  <Synonyms> (1,142)
N/A

>  <Target> (1,142)
HSP (e.g. HSP90)

>  <Form> (1,142)
Free Base

>  <URL> (1,142)
http://www.selleckchem.com/products/hsp990-nvp-hsp990.html

>  <CAS Number> (1,142)
934343-74-5

$$$$
Aliskiren hemifumarate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,143)
2308

>  <Formula> (1,143)
C64H110N6O16

>  <MolWeight> (1,143)
1219.5888

>  <Item Name> (1,143)
Aliskiren Hemifumarate

>  <Catalog Number> (1,143)
S2199

>  <Synonyms> (1,143)
N/A

>  <Target> (1,143)
RAAS

>  <Form> (1,143)
fumarate salt

>  <URL> (1,143)
http://www.selleckchem.com/products/Aliskiren-hemifumarate.html

>  <CAS Number> (1,143)
173334-58-2

$$$$
Biapenem.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,144)
2310

>  <Formula> (1,144)
C15H18N4O4S

>  <MolWeight> (1,144)
350.39282

>  <Item Name> (1,144)
Biapenem

>  <Catalog Number> (1,144)
S1370

>  <Synonyms> (1,144)
L-627, LJC10627

>  <Target> (1,144)
Antifection

>  <Form> (1,144)
Free Base

>  <URL> (1,144)
http://www.selleckchem.com/products/Biapenem.html

>  <CAS Number> (1,144)
120410-24-4

$$$$
Daptomycin.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,145)
2313

>  <Formula> (1,145)
C72H101N17O26

>  <MolWeight> (1,145)
1620.67064

>  <Item Name> (1,145)
Daptomycin

>  <Catalog Number> (1,145)
S1373

>  <Synonyms> (1,145)
LY146032

>  <Target> (1,145)
Others

>  <Form> (1,145)
Free Base

>  <URL> (1,145)
http://www.selleckchem.com/products/Daptomycin.html

>  <CAS Number> (1,145)
103060-53-3

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,146)
2319

>  <Formula> (1,146)
C22H26ClF2NO4

>  <MolWeight> (1,146)
441.8959464

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Nebivolol HCl

>  <Catalog Number> (1,146)
S1549

>  <Synonyms> (1,146)
N/A

>  <Target> (1,146)
Adrenergic Receptor

>  <Form> (1,146)
Hydrochloride

>  <URL> (1,146)
http://www.selleckchem.com/products/Nebivolol(Bystolic).html

>  <CAS Number> (1,146)
152520-56-4

$$$$
Ouabain Octahydrate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,147)
2320

>  <Formula> (1,147)
C29H60O20

>  <MolWeight> (1,147)
728.7747

>  <Item Name> (1,147)
Ouabain

>  <Catalog Number> (1,147)
S4016

>  <Synonyms> (1,147)
N/A

>  <Target> (1,147)
Sodium Channel

>  <Form> (1,147)
Free Base

>  <URL> (1,147)
http://www.selleckchem.com/products/ouabain.html

>  <CAS Number> (1,147)
630-60-4

$$$$
Rosuvastatin calcium.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,148)
2322

>  <Formula> (1,148)
C44H54CaF2N6O12S2

>  <MolWeight> (1,148)
1001.1373664

>  <Item Name> (1,148)
Rosuvastatin Calcium

>  <Catalog Number> (1,148)
S2169

>  <Synonyms> (1,148)
ZD4522

>  <Target> (1,148)
HMG-CoA Reductase

>  <Form> (1,148)
Calcium salt

>  <URL> (1,148)
http://www.selleckchem.com/products/Rosuvastatin-calcium(Crestor).html

>  <CAS Number> (1,148)
147098-20-2

$$$$
R-Ruxolitinib.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,149)
2323

>  <Formula> (1,149)
C17H18N6

>  <MolWeight> (1,149)
306.36502

>  <Item Name> (1,149)
Ruxolitinib (INCB018424)

>  <Catalog Number> (1,149)
S1378

>  <Synonyms> (1,149)
N/A

>  <Target> (1,149)
JAK

>  <Form> (1,149)
Free Base

>  <URL> (1,149)
http://www.selleckchem.com/products/INCB18424.html

>  <CAS Number> (1,149)
941678-49-5

$$$$
Teicoplanin.cdx
csChFnd80/07171813002D

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R
A  185
?R:?
M  END
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Teichomycin

>  <Target> (1,150)
Antifection

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Free Base

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

>  <CAS Number> (1,150)
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> (1,151)
http://www.selleckchem.com/products/Temsirolimus.html

>  <CAS Number> (1,151)
162635-04-3

$$$$
CAY10683 (Santacruzamate A).cdx
csChFnd80/07171813002D

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csChFnd80/07171813002D

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filgotinib.cdx
csChFnd80/07171813002D

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csChFnd80/07171813002D

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12650-69-0

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Z-DEVD-FMK.cdx
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210344-95-9

$$$$
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1095173-27-5

$$$$
LCL161.cdx
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$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/07171813002D

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    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> (1,167)
2343

>  <Formula> (1,167)
C15H17ClIN3O3

>  <MolWeight> (1,167)
449.67125

>  <Item Name> (1,167)
K-Ras(G12C) inhibitor 12

>  <Catalog Number> (1,167)
S7331

>  <Synonyms> (1,167)
N/A

>  <Target> (1,167)
Rho

>  <Form> (1,167)
Free Base

>  <URL> (1,167)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

>  <CAS Number> (1,167)
1469337-95-8

$$$$
Tasquinimod .cdx
csChFnd80/07171813002D

 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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    9.6995    6.3000    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> (1,168)
2344

>  <Formula> (1,168)
C20H17F3N2O4

>  <MolWeight> (1,168)
406.3551896

>  <Item Name> (1,168)
Tasquinimod

>  <Catalog Number> (1,168)
S7617

>  <Synonyms> (1,168)
ABR-215050

>  <Target> (1,168)
HDAC

>  <Form> (1,168)
Free Base

>  <URL> (1,168)
http://www.selleckchem.com/products/tasquinimod.html

>  <CAS Number> (1,168)
254964-60-8

$$$$
AGK 2.cdx
csChFnd80/07171813002D

 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
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    3.9276    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2733    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6214    5.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3921    6.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5400    4.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7685    3.0479    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8529    8.5627    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  3  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
  1 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 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> (1,169)
2345

>  <Formula> (1,169)
C23H13Cl2N3O2

>  <MolWeight> (1,169)
434.27422

>  <Item Name> (1,169)
AGK2

>  <Catalog Number> (1,169)
S7577

>  <Synonyms> (1,169)
N/A

>  <Target> (1,169)
Sirtuin

>  <Form> (1,169)
Free Base

>  <URL> (1,169)
http://www.selleckchem.com/products/agk2.html

>  <CAS Number> (1,169)
304896-28-4

$$$$
Anacardic Acid.cdx
csChFnd80/07171813002D

 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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    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  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
  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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,170)
2346

>  <Formula> (1,170)
C22H36O3

>  <MolWeight> (1,170)
348.51944

>  <Item Name> (1,170)
Anacardic Acid

>  <Catalog Number> (1,170)
S7582

>  <Synonyms> (1,170)
6-pentadecylsalicylic Acid

>  <Target> (1,170)
Histone Acetyltransferase

>  <Form> (1,170)
Free Base

>  <URL> (1,170)
http://www.selleckchem.com/products/anacardic-acid.html

>  <CAS Number> (1,170)
16611-84-0

$$$$
GNF5837.cdx
csChFnd80/07171813002D

 39 43  0  0  0  0  0  0  0  0999 V2000
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Trk receptor

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Free Base

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http://www.selleckchem.com/products/gnf-5837.html

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1033769-28-6

$$$$
PD128907.cdx
csChFnd80/07171813002D

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C14H20ClNO3

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PD128907 HCl

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PD128907

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Dopamine Receptor

>  <Form> (1,172)
Hydrochloride

>  <URL> (1,172)
http://www.selleckchem.com/products/PD-128907.html

>  <CAS Number> (1,172)
112960-16-4

$$$$
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1421227-53-3

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MG 101.cdx
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Calpain inhibitor-1

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Cysteine Protease

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Oxalate

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http://www.selleckchem.com/products/mg-101-alln.html

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110044-82-1

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Splitomicin.cdx
csChFnd80/07171813002D

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5690-03-9

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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 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
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 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> (1,184)
2363

>  <Formula> (1,184)
C22H18FN7

>  <MolWeight> (1,184)
399.4236232

>  <Item Name> (1,184)
EW-7197

>  <Catalog Number> (1,184)
S7530

>  <Synonyms> (1,184)
N/A

>  <Target> (1,184)
TGF-beta/Smad

>  <Form> (1,184)
Free Base

>  <URL> (1,184)
http://www.selleckchem.com/products/ew-7197.html

>  <CAS Number> (1,184)
1352608-82-2

$$$$
Heparin sodium.cdx
csChFnd80/07171813002D

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    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
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    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
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   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
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   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> (1,185)
2365

>  <Formula> (1,185)
C33H47N3O39R4S6-8

>  <MolWeight> (1,185)
1302.11298

>  <Item Name> (1,185)
Heparin sodium

>  <Catalog Number> (1,185)
S1346

>  <Synonyms> (1,185)
N/A

>  <Target> (1,185)
Others

>  <Form> (1,185)
Sodium salt

>  <URL> (1,185)
http://www.selleckchem.com/products/Heparin-sodium.html

>  <CAS Number> (1,185)
9041-08-1

$$$$
Nedaplatin.cdx
csChFnd80/07171813002D
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> (1,186)
2366

>  <Formula> (1,186)
R + C2H2O3Pt  -> R  [+ C2H2O3Pt]

>  <MolWeight> (1,186)
269.11348

>  <Item Name> (1,186)
Nedaplatin

>  <Catalog Number> (1,186)
S1826

>  <Synonyms> (1,186)
N/A

>  <Target> (1,186)
DNA/RNA Synthesis

>  <Form> (1,186)
Free Base

>  <URL> (1,186)
http://www.selleckchem.com/products/nedaplatin-aqupla.html

>  <CAS Number> (1,186)
95734-82-0

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/07171813002D

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  4 13  1  0  0  0  0
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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> (1,192)
344458-15-7

$$$$
LM-3146 BAY 11-7085.cdx
csChFnd80/07171813002D

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C13H15NO2S

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S7352

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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
csChFnd80/07171813002D

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2376

>  <Formula> (1,194)
C20H16N2OS

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>  <Item Name> (1,194)
JNK inhibitor IX

>  <Catalog Number> (1,194)
S7508

>  <Synonyms> (1,194)
TCS JNK 5a

>  <Target> (1,194)
JNK

>  <Form> (1,194)
Free Base

>  <URL> (1,194)
http://www.selleckchem.com/products/jnk-inhibitor-ix.html

>  <CAS Number> (1,194)
312917-14-9

$$$$
Blasticidin S hydrochloride.cdx
csChFnd80/07171813002D

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>  <Formula> (1,195)
C17H27ClN8O5

>  <MolWeight> (1,195)
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>  <Item Name> (1,195)
Blasticidin S HCl

>  <Catalog Number> (1,195)
S7419

>  <Synonyms> (1,195)
Blasticidine S HCl

>  <Target> (1,195)
DNA/RNA Synthesis

>  <Form> (1,195)
hydrochloride salt

>  <URL> (1,195)
http://www.selleckchem.com/products/blasticidin-s-hcl.html

>  <CAS Number> (1,195)
3513-03-9

$$$$
levobupivacaine hydrochloride.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,196)
2382

>  <Formula> (1,196)
C18H29ClN2O

>  <MolWeight> (1,196)
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>  <Item Name> (1,196)
Levobupivacaine HCl

>  <Catalog Number> (1,196)
S4061

>  <Synonyms> (1,196)
N/A

>  <Target> (1,196)
Sodium Channel

>  <Form> (1,196)
Hydrochloride

>  <URL> (1,196)
http://www.selleckchem.com/products/lvobupivacaine-hcl.html

>  <CAS Number> (1,196)
27262-48-2

$$$$
WS3.cdx
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1229705-06-9

$$$$
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Autophagy

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747-36-4

$$$$
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Histone Methyltransferase

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1271738-62-5

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COX

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74103-07-4

$$$$
3469-LCZ696.cdx
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>  <Synonyms> (1,211)
N/A

>  <Target> (1,211)
Epigenetic Reader Domain

>  <Form> (1,211)
Free Base

>  <URL> (1,211)
http://www.selleckchem.com/products/gsk1324726a-i-bet726.html

>  <CAS Number> (1,211)
1300031-52-0

$$$$
Isepamicin sulfate.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,212)
2403

>  <Formula> (1,212)
C22H45N5O16S

>  <MolWeight> (1,212)
667.6816

>  <Item Name> (1,212)
Isepamicin Sulphate

>  <Catalog Number> (1,212)
S4271

>  <Synonyms> (1,212)
Isepamicine (Isepamycin, sch21420) Sulphate

>  <Target> (1,212)
Antifection

>  <Form> (1,212)
Sulphate

>  <URL> (1,212)
http://www.selleckchem.com/products/isepamicin-sulphate.html

>  <CAS Number> (1,212)
67814-76-0

$$$$
EI1.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,213)
2404

>  <Formula> (1,213)
C23H26N4O2

>  <MolWeight> (1,213)
390.47814

>  <Item Name> (1,213)
EI1

>  <Catalog Number> (1,213)
S7611

>  <Synonyms> (1,213)
N/A

>  <Target> (1,213)
Histone Methyltransferase

>  <Form> (1,213)
Free Base

>  <URL> (1,213)
http://www.selleckchem.com/products/ei1.html

>  <CAS Number> (1,213)
1418308-27-6

$$$$
ML141.cdx
csChFnd80/07171813002D

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ML141

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>  <Synonyms> (1,214)
CID-2950007

>  <Target> (1,214)
Rho

>  <Form> (1,214)
Free Base

>  <URL> (1,214)
http://www.selleckchem.com/products/ml141.html

>  <CAS Number> (1,214)
71203-35-5

$$$$
BRD4770.cdx
csChFnd80/07171813002D

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N/A

>  <Target> (1,215)
Histone Methyltransferase

>  <Form> (1,215)
Free Base

>  <URL> (1,215)
http://www.selleckchem.com/products/brd4770.html

>  <CAS Number> (1,215)
1374601-40-7

$$$$
PX-478 2HCl.cdx
csChFnd80/07171813002D

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PX-478 2HCl

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>  <Synonyms> (1,216)
N/A

>  <Target> (1,216)
HIF

>  <Form> (1,216)
Dihydrochlorid

>  <URL> (1,216)
http://www.selleckchem.com/products/px-478-2hcl.html

>  <CAS Number> (1,216)
685898-44-6

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/07171813002D

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AXL1717

>  <Target> (1,217)
IGF-1R

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Free Base

>  <URL> (1,217)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

>  <CAS Number> (1,217)
477-47-4

$$$$
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csChFnd80/07171813002D

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DNA/RNA Synthesis

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Free Base

>  <URL> (1,218)
http://www.selleckchem.com/products/yk-4-279.html

>  <CAS Number> (1,218)
1037184-44-3

$$$$
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1061353-68-1

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NADPH oxidase

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http://www.selleckchem.com/products/gkt137831.html

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1218942-37-0

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/07171813002D

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PLK

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http://www.selleckchem.com/products/sbe-13-hcl.html

>  <CAS Number> (1,245)
1052532-15-6

$$$$
Bikinin.cdx
csChFnd80/07171813002D

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GSK-3

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>  <CAS Number> (1,246)
188011-69-0

$$$$
Salirasib.cdx
csChFnd80/07171813002D

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Rho

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>  <URL> (1,247)
http://www.selleckchem.com/products/salirasib.html

>  <CAS Number> (1,247)
162520-00-5

$$$$
SD208.cdx
csChFnd80/07171813002D

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627536-09-8

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csChFnd80/07171813002D

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no

$$$$
Dovitinib Lactate.cdx
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BLZ945.cdx
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$$$$
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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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PDGFR

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

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557795-19-4

$$$$
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csChFnd80/07171813002D

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phosphatase

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1026680-07-8

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194423-06-8

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$$$$
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$$$$
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M  END
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$$$$
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>  <Catalog Number> (1,303)
S4030

>  <Synonyms> (1,303)
NSC-82261, SCH9724

>  <Target> (1,303)
Antifection

>  <Form> (1,303)
Sulfate

>  <URL> (1,303)
http://www.selleckchem.com/products/gentamicin-sulfate.html

>  <CAS Number> (1,303)
1405-41-0

$$$$
AT7519 HCl.cdx
csChFnd80/07171813002D

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2509

>  <Formula> (1,304)
C16H18Cl3N5O2

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418.70542

>  <Item Name> (1,304)
AT7519 HCl

>  <Catalog Number> (1,304)
S7808

>  <Synonyms> (1,304)
N/A

>  <Target> (1,304)
CDK

>  <Form> (1,304)
Hydrochloride

>  <URL> (1,304)
http://www.selleckchem.com/products/at7519-hcl.html

>  <CAS Number> (1,304)
902135-91-5

$$$$
VER155008.cdx
csChFnd80/07171813002D

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2510

>  <Formula> (1,305)
C25H23Cl2N7O4

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556.40062

>  <Item Name> (1,305)
VER155008

>  <Catalog Number> (1,305)
S7751

>  <Synonyms> (1,305)
C07

>  <Target> (1,305)
HSP (e.g. HSP90)

>  <Form> (1,305)
Free Base

>  <URL> (1,305)
http://www.selleckchem.com/products/ver155008.html

>  <CAS Number> (1,305)
1134156-31-2

$$$$
ARRY-614.cdx
csChFnd80/07171813002D

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2511

>  <Formula> (1,306)
C31H33FN6O3

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Pexmetinib (ARRY-614)

>  <Catalog Number> (1,306)
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N/A

>  <Target> (1,306)
p38 MAPK

>  <Form> (1,306)
Free Base

>  <URL> (1,306)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

>  <CAS Number> (1,306)
945614-12-0

$$$$
LY3009120.cdx
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M  END
>  <Mol_ID> (1,312)
2519

>  <Formula> (1,312)
C21H21F3IN3O2

>  <MolWeight> (1,312)
531.3100196

>  <Item Name> (1,312)
Cobimetinib (GDC-0973, RG7420)

>  <Catalog Number> (1,312)
S8041

>  <Synonyms> (1,312)
XL518

>  <Target> (1,312)
MEK

>  <Form> (1,312)
Free Base

>  <URL> (1,312)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

>  <CAS Number> (1,312)
934660-93-2

$$$$
BVD-523.cdx
csChFnd80/07171813002D

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2520

>  <Formula> (1,313)
C21H22Cl2N4O2

>  <MolWeight> (1,313)
433.33098

>  <Item Name> (1,313)
Ulixertinib (BVD-523, VRT752271)

>  <Catalog Number> (1,313)
S7854

>  <Synonyms> (1,313)
N/A

>  <Target> (1,313)
ERK

>  <Form> (1,313)
Free Base

>  <URL> (1,313)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

>  <CAS Number> (1,313)
869886-67-9

$$$$
Tenofovir alafenamide.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,314)
2521

>  <Formula> (1,314)
C21H29N6O5P

>  <MolWeight> (1,314)
476.465921

>  <Item Name> (1,314)
Tenofovir Alafenamide (GS-7340)

>  <Catalog Number> (1,314)
S7856

>  <Synonyms> (1,314)
N/A

>  <Target> (1,314)
Reverse Transcriptase

>  <Form> (1,314)
Free Base

>  <URL> (1,314)
http://www.selleckchem.com/products/tenofovir-alafenamide-gs-7340.html

>  <CAS Number> (1,314)
379270-37-8

$$$$
BPTES.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,315)
2522

>  <Formula> (1,315)
C24H24N6O2S3

>  <MolWeight> (1,315)
524.68136

>  <Item Name> (1,315)
BPTES

>  <Catalog Number> (1,315)
S7753

>  <Synonyms> (1,315)
N/A

>  <Target> (1,315)
Glutaminase

>  <Form> (1,315)
Free Base

>  <URL> (1,315)
http://www.selleckchem.com/products/bptes.html

>  <CAS Number> (1,315)
314045-39-1

$$$$
Dorsomorphin.cdx
csChFnd80/07171813002D

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Dorsomorphin (Compound C)

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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

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E3330.cdx
csChFnd80/07171813002D

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E3330

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N/A

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DNA/RNA Synthesis

>  <Form> (1,317)
Free Base

>  <URL> (1,317)
http://www.selleckchem.com/products/e3330.html

>  <CAS Number> (1,317)
136164-66-4

$$$$
CPI-169.cdx
csChFnd80/07171813002D

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N/A

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Histone Methyltransferase

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Free Base

>  <URL> (1,318)
http://www.selleckchem.com/products/cpi-169.html

>  <CAS Number> (1,318)
1450655-76-1

$$$$
SC79.cdx
csChFnd80/07171813002D

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Akt

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http://www.selleckchem.com/products/sc79.html

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305834-79-1

$$$$
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csChFnd80/07171813002D

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>  <Mol_ID> (1,324)
2535

>  <Formula> (1,324)
C31H38N8O3

>  <MolWeight> (1,324)
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>  <Item Name> (1,324)
LRRK2-IN-1

>  <Catalog Number> (1,324)
S7584

>  <Synonyms> (1,324)
N/A

>  <Target> (1,324)
LRRK2

>  <Form> (1,324)
Free Base

>  <URL> (1,324)
http://www.selleckchem.com/products/lrrk2-in-1.html

>  <CAS Number> (1,324)
1234480-84-2

$$$$
LM-3632.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,325)
2536

>  <Formula> (1,325)
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>  <MolWeight> (1,325)
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>  <Item Name> (1,325)
Cyclo(RGDyK)

>  <Catalog Number> (1,325)
S7844

>  <Synonyms> (1,325)
N/A

>  <Target> (1,325)
Integrin

>  <Form> (1,325)
ditrifluoroacetic acid

>  <URL> (1,325)
http://www.selleckchem.com/products/cyclo-rgdyk.html

>  <CAS Number> (1,325)
250612-42-1

$$$$
NPS-1034.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,326)
2537

>  <Formula> (1,326)
C31H23F2N5O3

>  <MolWeight> (1,326)
551.5428264

>  <Item Name> (1,326)
NPS-1034

>  <Catalog Number> (1,326)
S7669

>  <Synonyms> (1,326)
N/A

>  <Target> (1,326)
c-Met

>  <Form> (1,326)
Free Base

>  <URL> (1,326)
http://www.selleckchem.com/products/nps-1034.html

>  <CAS Number> (1,326)
1221713-92-3

$$$$
KN-93 H3PO4.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,327)
2539

>  <Formula> (1,327)
C26H32ClN2O8PS

>  <MolWeight> (1,327)
599.032641

>  <Item Name> (1,327)
KN-93 Phosphate

>  <Catalog Number> (1,327)
S7423

>  <Synonyms> (1,327)
N/A

>  <Target> (1,327)
CaMK

>  <Form> (1,327)
Free Base

>  <URL> (1,327)
http://www.selleckchem.com/products/kn-93-phosphate.html

>  <CAS Number> (1,327)
1188890-41-6

$$$$
S2597-Oseltamivir phosphate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,328)
2540

>  <Formula> (1,328)
C16H31N2O8P

>  <MolWeight> (1,328)
410.399701

>  <Item Name> (1,328)
Oseltamivir Phosphate

>  <Catalog Number> (1,328)
S2597

>  <Synonyms> (1,328)
N/A

>  <Target> (1,328)
Antifection

>  <Form> (1,328)
Phosphate salt

>  <URL> (1,328)
http://www.selleckchem.com/products/oseltamivir-phosphate-Tamiflu.html

>  <CAS Number> (1,328)
204255-11-8

$$$$
S4002.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,329)
2541

>  <Formula> (1,329)
C16H20F6N5O6P

>  <MolWeight> (1,329)
523.3240802

>  <Item Name> (1,329)
Sitagliptin phosphate monohydrate

>  <Catalog Number> (1,329)
S4002

>  <Synonyms> (1,329)
MK-0431

>  <Target> (1,329)
DPP-4

>  <Form> (1,329)
phosphate &monohydrate

>  <URL> (1,329)
http://www.selleckchem.com/products/Sitagliptin.html

>  <CAS Number> (1,329)
654671-77-9

$$$$
S4117.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,330)
2542

>  <Formula> (1,330)
C5H15N3O8P2

>  <MolWeight> (1,330)
307.135422

>  <Item Name> (1,330)
Histamine Phosphate

>  <Catalog Number> (1,330)
S4117

>  <Synonyms> (1,330)
N/A

>  <Target> (1,330)
Histamine Receptor

>  <Form> (1,330)
Free Base

>  <URL> (1,330)
http://www.selleckchem.com/products/histamine-phosphate.html

>  <CAS Number> (1,330)
51-74-1

$$$$
Dyngo-4a.cdx
csChFnd80/07171813002D

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Histone Methyltransferase

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disodium salt

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http://www.selleckchem.com/products/ami-1.html

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20324-87-2

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csChFnd80/07171813002D

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Free Base

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1168091-68-6

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AI-10-49.cdx
csChFnd80/07171813002D

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csChFnd80/07171813002D

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Histone Methyltransferase

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1346572-63-1

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csChFnd80/07171813002D

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1226895-15-3

$$$$
Bromodeoxyuridine.cdx
csChFnd80/07171813002D

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59-14-3

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/07171813002D

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103404-90-6

$$$$
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TAM Receptor

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hydrochloride salt

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1429881-91-3

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875320-31-3

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944118-01-8

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$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
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1108743-60-7

$$$$
6-Mercaptopurine monohydrate.cdx
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6112-76-1

$$$$
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Raf

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$$$$
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144875-48-9

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N/A

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HIF

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Free Base

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http://www.selleckchem.com/products/fg-2216.html

>  <CAS Number> (1,409)
223387-75-5

$$$$
Radotinib (IY-5511).cdx
csChFnd80/07171813002D

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IY-5511

>  <Target> (1,410)
Bcr-Abl

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Free Base

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

>  <CAS Number> (1,410)
926037-48-1

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/07171813002D

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>  <Synonyms> (1,411)
N/A

>  <Target> (1,411)
ROCK

>  <Form> (1,411)
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>  <URL> (1,411)
http://www.selleckchem.com/products/ripasudil-k-115.html

>  <CAS Number> (1,411)
887375-67-9

$$$$
PX-12.cdx
csChFnd80/07171813002D

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>  <Formula> (1,412)
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PX-12

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Thioredoxin

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Free Base

>  <URL> (1,412)
http://www.selleckchem.com/products/px-12.html

>  <CAS Number> (1,412)
141400-58-0

$$$$
K03861.cdx
csChFnd80/07171813002D

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C24H26F3N7O2

>  <MolWeight> (1,413)
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>  <Synonyms> (1,413)
N/A

>  <Target> (1,413)
CDK

>  <Form> (1,413)
Free Base

>  <URL> (1,413)
http://www.selleckchem.com/products/k03861.html

>  <CAS Number> (1,413)
853299-07-7

$$$$
Ozanimod.cdx
csChFnd80/07171813002D

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$$$$
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803647-40-7

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>  <Mol_ID> (1,418)
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>  <Formula> (1,418)
C32H46O8

>  <MolWeight> (1,418)
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>  <Item Name> (1,418)
Cucurbitacin B

>  <Catalog Number> (1,418)
S8165

>  <Synonyms> (1,418)
N/A

>  <Target> (1,418)
Microtubule Associated

>  <Form> (1,418)
Free Base

>  <URL> (1,418)
http://www.selleckchem.com/products/cucurbitacin-b.html

>  <CAS Number> (1,418)
6199-67-3

$$$$
Z-VAD(OH)-FMK (Caspase Inhibitor VI).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,419)
2669

>  <Formula> (1,419)
C21H28FN3O7

>  <MolWeight> (1,419)
453.4613232

>  <Item Name> (1,419)
Z-VAD(OH)-FMK

>  <Catalog Number> (1,419)
S8102

>  <Synonyms> (1,419)
N/A

>  <Target> (1,419)
Caspase

>  <Form> (1,419)
Free Base

>  <URL> (1,419)
http://www.selleckchem.com/products/z-vad(oh)-fmk.html

>  <CAS Number> (1,419)
161401-82-7

$$$$
GlyH-101.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,420)
2670

>  <Formula> (1,420)
C19H15Br2N3O3

>  <MolWeight> (1,420)
493.1487

>  <Item Name> (1,420)
GlyH-101

>  <Catalog Number> (1,420)
S8094

>  <Synonyms> (1,420)
N/A

>  <Target> (1,420)
CFTR

>  <Form> (1,420)
Free Base

>  <URL> (1,420)
http://www.selleckchem.com/products/glyh-101.html

>  <CAS Number> (1,420)
328541-79-3

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,421)
2671

>  <Formula> (1,421)
C13H14N8O2

>  <MolWeight> (1,421)
314.30266

>  <Item Name> (1,421)
Molidustat(BAY 85-3934)

>  <Catalog Number> (1,421)
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>  <Synonyms> (1,421)
N/A

>  <Target> (1,421)
HIF

>  <Form> (1,421)
Free Base

>  <URL> (1,421)
http://www.selleckchem.com/products/molidustat-(bay85-3934).html

>  <CAS Number> (1,421)
1154028-82-6

$$$$
KD025 (SLx-2119).cdx
csChFnd80/07171813002D

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>  <Formula> (1,431)
C54H74F2N6O10

>  <MolWeight> (1,431)
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>  <Item Name> (1,431)
Pimavanserin

>  <Catalog Number> (1,431)
S8183

>  <Synonyms> (1,431)
ACP-103

>  <Target> (1,431)
5-HT Receptor

>  <Form> (1,431)
Tartrate

>  <URL> (1,431)
http://www.selleckchem.com/products/pimavanserin.html

>  <CAS Number> (1,431)
706782-28-7

$$$$
BEC Hydrochloride.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,432)
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C5H13BClNO4S

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BEC Hydrochloride

>  <Catalog Number> (1,432)
S7929

>  <Synonyms> (1,432)
N/A

>  <Target> (1,432)
Others

>  <Form> (1,432)
hydrochloride salt

>  <URL> (1,432)
http://www.selleckchem.com/products/bec-hydrochloride.html

>  <CAS Number> (1,432)
222638-67-7

$$$$
AZD3965.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,433)
2687

>  <Formula> (1,433)
C21H24F3N5O5S

>  <MolWeight> (1,433)
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>  <Item Name> (1,433)
AZD3965

>  <Catalog Number> (1,433)
S7339

>  <Synonyms> (1,433)
N/A

>  <Target> (1,433)
Others

>  <Form> (1,433)
Free Base

>  <URL> (1,433)
http://www.selleckchem.com/products/azd3965.html

>  <CAS Number> (1,433)
1448671-31-5

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/07171813002D

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PD-1/PD-L1

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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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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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http://www.selleckchem.com/products/gsk2141795.html

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1047634-65-0

$$$$
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Wnt/beta-catenin

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http://www.selleckchem.com/products/wnt-agonist-1.html

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853220-52-7(free-base)

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256373-96-3

$$$$
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Oncopore

>  <Target> (1,451)
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Free Base

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http://www.selleckchem.com/products/ltx-315.html

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1345407-05-7

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/07171813002D

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EPZ015866, GSK3203591

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Histone Methyltransferase

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Free Base

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http://www.selleckchem.com/products/gsk591-epz015866-gsk3203591.html

>  <CAS Number> (1,452)
1616391-87-7

$$$$
AG-120 (Ivosidenib).cdx
csChFnd80/07171813002D

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http://www.selleckchem.com/products/ag-120-Ivosidenib.html

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1448347-49-6

$$$$
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csChFnd80/07171813002D

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>  <CAS Number> (1,454)
845614-11-1

$$$$
Halofuginone.cdx
csChFnd80/07171813002D

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>  <URL> (1,455)
http://www.selleckchem.com/products/halofuginone.html

>  <CAS Number> (1,455)
55837-20-2

$$$$
AS1842856.cdx
csChFnd80/07171813002D

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http://www.selleckchem.com/products/as1842856.html

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$$$$
HLCL-61.cdx
csChFnd80/07171813002D

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HLCL61

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Histone Methyltransferase

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Hydrochloride

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http://www.selleckchem.com/products/hlcl-61-hydrochloride.html

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1158279-20-9

$$$$
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GSK602

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Epigenetic Reader Domain

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Free Base

>  <URL> (1,458)
http://www.selleckchem.com/products/i-brd9-gsk602.html

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1714146-59-4

$$$$
PIK-III.cdx
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VPS34-IN2

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Autophagy

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Free Base

>  <URL> (1,459)
http://www.selleckchem.com/products/pik-iii.html

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1383716-40-2

$$$$
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http://www.selleckchem.com/products/smer28.html

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307538-42-7

$$$$
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1550008-55-3

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$$$$
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$$$$
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csChFnd80/07171813002D

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Bempedoic acid|ESP-55016

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AMPK

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Free Base

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http://www.selleckchem.com/products/etc-1002.html

>  <CAS Number> (1,470)
738606-46-7

$$$$
GSK1016790A.cdx
csChFnd80/07171813002D

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TRPV

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942206-85-1

$$$$
Acetazolamide.cdx
csChFnd80/07171813002D

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Acetazolamide

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Diamox

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Carbonic Anhydrase

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59-66-5

$$$$
2,2,2-Tribromoethanol.cdx
csChFnd80/07171813002D

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$$$$
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csChFnd80/07171813002D

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http://www.selleckchem.com/products/17-hydroxyprogesterone.html

>  <CAS Number> (1,474)
68-96-2

$$$$
YAP-TEAD Inhibitor 1 (Peptide 17).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,475)
2733

>  <Formula> (1,475)
C93H144ClN23O21S2

>  <MolWeight> (1,475)
2019.86296

>  <Item Name> (1,475)
YAP-TEAD Inhibitor 1 (Peptide 17)

>  <Catalog Number> (1,475)
S8164

>  <Synonyms> (1,475)
N/A

>  <Target> (1,475)
Others

>  <Form> (1,475)
Free Base

>  <URL> (1,475)
http://www.selleckchem.com/products/yap-tead-inhibitor-1-peptide-17.html

$$$$
Pluripotin (SC1).cdx
csChFnd80/07171813002D

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ERK

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Free Base

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http://www.selleckchem.com/products/pluripotin-sc1.html

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839707-37-8

$$$$
AG-221 (Enasidenib).cdx
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Dehydrogenase

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1446502-11-9

$$$$
PRI-724.cdx
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Wnt/beta-catenin

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http://www.selleckchem.com/products/pri-724.html

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847591-62-2

$$$$
4-Hydroxytamoxifen (4-HT, Afimoxifene).cdx
csChFnd80/07171813002D

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M  CFW   9 B_NG_STER 3
M  END
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>  <Formula> (1,479)
C26H29NO2

>  <MolWeight> (1,479)
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>  <Item Name> (1,479)
4-Hydroxytamoxifen

>  <Catalog Number> (1,479)
S7827

>  <Synonyms> (1,479)
Afimoxifene

>  <Target> (1,479)
Estrogen/progestogen Receptor

>  <Form> (1,479)
Free Base

>  <URL> (1,479)
http://www.selleckchem.com/products/4-hydroxytamoxifen-4-ht-afimoxifene.html

>  <CAS Number> (1,479)
68392-35-8

$$$$
PLX7904.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,480)
2739

>  <Formula> (1,480)
C24H22F2N6O3S

>  <MolWeight> (1,480)
512.5316864

>  <Item Name> (1,480)
PLX7904

>  <Catalog Number> (1,480)
S7964

>  <Synonyms> (1,480)
PB04

>  <Target> (1,480)
Raf

>  <Form> (1,480)
Free Base

>  <URL> (1,480)
http://www.selleckchem.com/products/plx7904.html

>  <CAS Number> (1,480)
1393465-84-3

$$$$
Chloroxylenol.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,481)
2740

>  <Formula> (1,481)
C8H9ClO

>  <MolWeight> (1,481)
156.60946

>  <Item Name> (1,481)
Chloroxylenol

>  <Catalog Number> (1,481)
S4518

>  <Synonyms> (1,481)
N/A

>  <Target> (1,481)
Antifection

>  <Form> (1,481)
Free Base

>  <URL> (1,481)
http://www.selleckchem.com/products/chloroxylenol.html

>  <CAS Number> (1,481)
88-04-0

$$$$
Cefotaxime sodium.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,482)
2741

>  <Formula> (1,482)
C16H16N5NaO7S2

>  <MolWeight> (1,482)
477.44731

>  <Item Name> (1,482)
Cefotaxime sodium

>  <Catalog Number> (1,482)
S4517

>  <Synonyms> (1,482)
N/A

>  <Target> (1,482)
Antifection

>  <Form> (1,482)
Sodium Salt

>  <URL> (1,482)
http://www.selleckchem.com/products/cefotaxime-sodium.html

>  <CAS Number> (1,482)
64485-93-4

$$$$
6-Benzylaminopurine.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,483)
2742

>  <Formula> (1,483)
C12H11N5

>  <MolWeight> (1,483)
225.24924

>  <Item Name> (1,483)
6-Benzylaminopurine

>  <Catalog Number> (1,483)
S4511

>  <Synonyms> (1,483)
N/A

>  <Target> (1,483)
Others

>  <Form> (1,483)
Free Base

>  <URL> (1,483)
http://www.selleckchem.com/products/6-benzylaminopurine.html

>  <CAS Number> (1,483)
1214-39-7

$$$$
4-Aminobenzoic acid.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,484)
2743

>  <Formula> (1,484)
C7H7NO2

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4-Aminobenzoic acid

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S4510

>  <Synonyms> (1,484)
para-Aminobenzoic acid

>  <Target> (1,484)
Others

>  <Form> (1,484)
Free Base

>  <URL> (1,484)
http://www.selleckchem.com/products/4-aminobenzoic-acid.html

>  <CAS Number> (1,484)
150-13-0

$$$$
Fenofibric acid.cdx
csChFnd80/07171813002D

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2744

>  <Formula> (1,485)
C17H15ClO4

>  <MolWeight> (1,485)
318.7516

>  <Item Name> (1,485)
Fenofibric acid

>  <Catalog Number> (1,485)
S4527

>  <Synonyms> (1,485)
NSC 281318, Trilipix, FNF acid

>  <Form> (1,485)
Free Base

>  <URL> (1,485)
http://www.selleckchem.com/products/fenofibric-acid.html

>  <CAS Number> (1,485)
42017-89-0

$$$$
Fenbufen.cdx
csChFnd80/07171813002D

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2745

>  <Formula> (1,486)
C16H14O3

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254.28056

>  <Item Name> (1,486)
Fenbufen

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S4526

>  <Synonyms> (1,486)
Lederfen, CL-82204

>  <Target> (1,486)
COX

>  <Form> (1,486)
Free Base

>  <URL> (1,486)
http://www.selleckchem.com/products/fenbufen.html

>  <CAS Number> (1,486)
36330-85-5

$$$$
C-DIM12.cdx
csChFnd80/07171813002D

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2746

>  <Formula> (1,487)
C23H17ClN2

>  <MolWeight> (1,487)
356.84748

>  <Item Name> (1,487)
C-DIM12

>  <Catalog Number> (1,487)
S8097

>  <Synonyms> (1,487)
N/A

>  <Target> (1,487)
Immunology & Inflammation

>  <Form> (1,487)
Free Base

>  <URL> (1,487)
http://www.selleckchem.com/products/c-dim12.html

>  <CAS Number> (1,487)
178946-89-9

$$$$
Dihydrostreptomycin sulfate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,488)
2747

>  <Formula> (1,488)
C42H88N14O36S3

>  <MolWeight> (1,488)
1461.41532

>  <Item Name> (1,488)
Dihydrostreptomycin sulfate

>  <Catalog Number> (1,488)
S4523

>  <Synonyms> (1,488)
N/A

>  <Target> (1,488)
Antifection

>  <Form> (1,488)
1.5Sulfate

>  <URL> (1,488)
http://www.selleckchem.com/products/dihydrostreptomycin-sulfate.html

>  <CAS Number> (1,488)
5490-27-7

$$$$
Esomeprazole sodium.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,489)
2751

>  <Formula> (1,489)
C17H18N3NaO3S

>  <MolWeight> (1,489)
367.39789

>  <Item Name> (1,489)
Esomeprazole sodium

>  <Catalog Number> (1,489)
S2233

>  <Synonyms> (1,489)
N/A

>  <Target> (1,489)
ATPase

>  <Form> (1,489)
Sodium salt

>  <URL> (1,489)
http://www.selleckchem.com/products/esomeprazole-sodium.html

>  <CAS Number> (1,489)
161796-78-7

$$$$
SCR7.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,490)
2753

>  <Formula> (1,490)
C18H12N4OS

>  <MolWeight> (1,490)
332.37908

>  <Item Name> (1,490)
SCR7

>  <Catalog Number> (1,490)
S7742

>  <Synonyms> (1,490)
N/A

>  <Target> (1,490)
DNA/RNA Synthesis

>  <Form> (1,490)
Free Base

>  <URL> (1,490)
http://www.selleckchem.com/products/scr7.html

>  <CAS Number> (1,490)
14892-97-8

$$$$
MRT68921.cdx
csChFnd80/07171813002D

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A   35
xHCl
M  END
>  <Mol_ID> (1,491)
2754

>  <Formula> (1,491)
C26H36N6O2R

>  <MolWeight> (1,491)
464.60304

>  <Item Name> (1,491)
MRT67307 HCl

>  <Catalog Number> (1,491)
S7948

>  <Synonyms> (1,491)
N/A

>  <Target> (1,491)
I¦ÊB/IKK

>  <Form> (1,491)
hydrochloride

>  <URL> (1,491)
http://www.selleckchem.com/products/mrt67307.html

>  <CAS Number> (1,491)
1190378-57-4 (free-base)

$$$$
MRT67307.cdx
csChFnd80/07171813002D

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   16.9741    5.7167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   12.8244    1.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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  9 11  1  0  0  0  0
  5 12  1  0  0  0  0
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 18 13  1  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> (1,492)
2755

>  <Formula> (1,492)
C25H34N6OR

>  <MolWeight> (1,492)
434.57706

>  <Item Name> (1,492)
MRT68921 HCl

>  <Catalog Number> (1,492)
S7949

>  <Synonyms> (1,492)
N/A

>  <Target> (1,492)
Autophagy

>  <Form> (1,492)
hydrochloride

>  <URL> (1,492)
http://www.selleckchem.com/products/mrt68921.html

>  <CAS Number> (1,492)
1190379-70-4 (free base)

$$$$
i-Inositol.cdx
csChFnd80/07171813002D

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    2.4249    4.2000    0.0000 C   0  0  2  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
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  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> (1,493)
2756

>  <Formula> (1,493)
C6H12O6

>  <MolWeight> (1,493)
180.15588

>  <Item Name> (1,493)
i-Inositol

>  <Catalog Number> (1,493)
S4530

>  <Synonyms> (1,493)
myo-inositol

>  <Target> (1,493)
Others

>  <Form> (1,493)
Free Base

>  <URL> (1,493)
http://www.selleckchem.com/products/i-inositol.html

>  <CAS Number> (1,493)
87-89-8

$$$$
Furazolidone.cdx
csChFnd80/07171813002D

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    4.6696    2.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1742    4.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1836    3.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4906    3.0085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5733    4.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5638    2.9338    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2473    2.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0528    1.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4536    4.0081    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0317    0.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9819    2.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6567    0.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0325    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
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 13 16  1  0  0  0  0
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M  END
>  <Mol_ID> (1,494)
2757

>  <Formula> (1,494)
C8H7N3O5

>  <MolWeight> (1,494)
225.15828

>  <Item Name> (1,494)
Furazolidone

>  <Catalog Number> (1,494)
S4528

>  <Synonyms> (1,494)
N/A

>  <Target> (1,494)
Antifection

>  <Form> (1,494)
Free Base

>  <URL> (1,494)
http://www.selleckchem.com/products/furazolidone.html

>  <CAS Number> (1,494)
67-45-8

$$$$
Citric acid trilithium salt tetrahydrate.cdx
csChFnd80/07171813002D

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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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
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  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
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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> (1,495)
2758

>  <Formula> (1,495)
C6H13Li3O11

>  <MolWeight> (1,495)
281.98382

>  <Item Name> (1,495)
Citric acid trilithium salt tetrahydrate

>  <Catalog Number> (1,495)
S4519

>  <Synonyms> (1,495)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (1,495)
Others

>  <Form> (1,495)
Free Base

>  <URL> (1,495)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

>  <CAS Number> (1,495)
6080-58-6

$$$$
4-Aminoantipyrine.cdx
csChFnd80/07171813002D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.4537    4.2097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4537    2.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3297    5.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5804    5.0510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2574    2.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7610    6.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1457    6.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    4.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2619    0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276    7.5039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  5 11  1  0  0  0  0
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  7  9  2  0  0  0  0
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 11 15  2  0  0  0  0
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M  END
>  <Mol_ID> (1,496)
2759

>  <Formula> (1,496)
C11H13N3O

>  <MolWeight> (1,496)
203.24042

>  <Item Name> (1,496)
4-Aminoantipyrine

>  <Catalog Number> (1,496)
S4509

>  <Synonyms> (1,496)
Ampyrone, NSC 60242, Metapirazone, Solnapyrin-A, Solvapyrin-A, Minoazophene, Aminoazophene, Aminoanti

>  <Target> (1,496)
Orhers

>  <Form> (1,496)
Free Base

>  <URL> (1,496)
http://www.selleckchem.com/products/4-aminoantipyrine.html

>  <CAS Number> (1,496)
83-07-8

$$$$
Ethylparaben.cdx
csChFnd80/07171813002D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,497)
2760

>  <Formula> (1,497)
C9H10O3

>  <MolWeight> (1,497)
166.1739

>  <Item Name> (1,497)
Ethylparaben

>  <Catalog Number> (1,497)
S4525

>  <Synonyms> (1,497)
Ethyl parahydroxybenzoate, Ethyl 4-hydroxybenzoate

>  <Target> (1,497)
Antifection

>  <Form> (1,497)
Free Base

>  <URL> (1,497)
http://www.selleckchem.com/products/ethylparaben.html

>  <CAS Number> (1,497)
120-47-8

$$$$
Iopamidol.cdx
csChFnd80/07171813002D

 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
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    7.2748    8.4001    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2001    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.2124    9.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3371    9.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
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 22 29  1  6  0  0  0
 26 30  1  0  0  0  0
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M  END
>  <Mol_ID> (1,498)
2761

>  <Formula> (1,498)
C17H22I3N3O8

>  <MolWeight> (1,498)
777.08529

>  <Item Name> (1,498)
Iopamidol

>  <Catalog Number> (1,498)
S4532

>  <Synonyms> (1,498)
Iopamiro, Isovue, Iopamiron, Niopam, Solutrast

>  <Target> (1,498)
Others

>  <Form> (1,498)
Free Base

>  <URL> (1,498)
http://www.selleckchem.com/products/iopamidol.html

>  <CAS Number> (1,498)
60166-93-0

$$$$
Nitrofurantoin.cdx
csChFnd80/07171813002D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6116    2.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3338    2.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0852    0.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4916    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    4.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    5.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3252    4.5449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2029    6.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2674    5.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6590    5.4267    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.5015    6.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2217    4.1448    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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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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  3  7  2  0  0  0  0
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  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,499)
2762

>  <Formula> (1,499)
C8H6N4O5

>  <MolWeight> (1,499)
238.15704

>  <Item Name> (1,499)
Nitrofurantoin

>  <Catalog Number> (1,499)
S4536

>  <Synonyms> (1,499)
Macrodantin, Furadantine, Furadonine

>  <Target> (1,499)
Antifection

>  <Form> (1,499)
Free Base

>  <URL> (1,499)
http://www.selleckchem.com/products/nitrofurantoin.html

>  <CAS Number> (1,499)
67-20-9

$$$$
SBI-0640756.cdx
csChFnd80/07171813002D

 29 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
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 19 14  1  0  0  0  0
 15 20  1  0  0  0  0
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  9 22  2  0  0  0  0
 20 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 26 27  2  0  0  0  0
 27 20  1  0  0  0  0
  6 28  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,500)
2763

>  <Formula> (1,500)
C23H14ClFN2O2

>  <MolWeight> (1,500)
404.8208632

>  <Item Name> (1,500)
SBI-0640756

>  <Catalog Number> (1,500)
S8181

>  <Synonyms> (1,500)
N/A

>  <Target> (1,500)
Others

>  <Form> (1,500)
Free Base

>  <URL> (1,500)
http://www.selleckchem.com/products/sbi-0640756.html

>  <CAS Number> (1,500)
N/A

$$$$
Dehydroacetic acid.cdx
csChFnd80/07171813002D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,501)
2764

>  <Formula> (1,501)
C8H8O4

>  <MolWeight> (1,501)
168.14672

>  <Item Name> (1,501)
Dehydroacetic acid

>  <Catalog Number> (1,501)
S4522

>  <Synonyms> (1,501)
Biocide 470F, Methylacetopyronone

>  <Target> (1,501)
Antifection

>  <Form> (1,501)
Free Base

>  <URL> (1,501)
http://www.selleckchem.com/products/dehydroacetic-acid.html

>  <CAS Number> (1,501)
520-45-6

$$$$
DEET.cdx
csChFnd80/07171813002D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4322    3.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8539    3.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6443    5.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8539    2.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2694    3.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0936    1.4067    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
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  5 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,502)
2765

>  <Formula> (1,502)
C12H17NO

>  <MolWeight> (1,502)
191.26948

>  <Item Name> (1,502)
DEET

>  <Catalog Number> (1,502)
S4521

>  <Synonyms> (1,502)
N,N-Diethyl-meta-toluamide, diethyltoluamide

>  <Target> (1,502)
Antifection

>  <Form> (1,502)
Free Base

>  <URL> (1,502)
http://www.selleckchem.com/products/deet.html

>  <CAS Number> (1,502)
134-62-3

$$$$
Acetylleucine.cdx
csChFnd80/07171813002D

 13 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9373    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  1 13  1  6  0  0  0
M  END
>  <Mol_ID> (1,503)
2767

>  <Formula> (1,503)
C8H15NO3

>  <MolWeight> (1,503)
173.2096

>  <Item Name> (1,503)
Acetylleucine

>  <Catalog Number> (1,503)
S4514

>  <Synonyms> (1,503)
N-acetyl-L-leucine

>  <Target> (1,503)
Others

>  <Form> (1,503)
Free Base

>  <URL> (1,503)
http://www.selleckchem.com/products/acetylleucine.html

>  <CAS Number> (1,503)
99-15-0

$$$$
Aceglutamide.cdx
csChFnd80/07171813002D

 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
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    3.6296    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,504)
2768

>  <Formula> (1,504)
C7H12N2O4

>  <MolWeight> (1,504)
188.18118

>  <Item Name> (1,504)
Aceglutamide

>  <Catalog Number> (1,504)
S4512

>  <Synonyms> (1,504)
¦Á-N-Acetyl-L-glutamine, N2-Acetylglutamine

>  <Target> (1,504)
Others

>  <Form> (1,504)
Free Base

>  <URL> (1,504)
http://www.selleckchem.com/products/aceglutamide.html

>  <CAS Number> (1,504)
2490-97-3

$$$$
Bucetin.cdx
csChFnd80/07171813002D

 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> (1,505)
2770

>  <Formula> (1,505)
C12H17NO3

>  <MolWeight> (1,505)
223.26828

>  <Item Name> (1,505)
Bucetin

>  <Catalog Number> (1,505)
S4554

>  <Synonyms> (1,505)
N/A

>  <Target> (1,505)
Others

>  <Form> (1,505)
Free Base

>  <URL> (1,505)
http://www.selleckchem.com/products/bucetin.html

>  <CAS Number> (1,505)
1083-57-4

$$$$
Bithionol.cdx
csChFnd80/07171813002D

 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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  8 13  1  0  0  0  0
  8 11  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 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> (1,506)
2771

>  <Formula> (1,506)
C12H6Cl4O2S

>  <MolWeight> (1,506)
356.05184

>  <Item Name> (1,506)
Bithionol

>  <Catalog Number> (1,506)
S4552

>  <Synonyms> (1,506)
Actamer

>  <Target> (1,506)
cAMP

>  <Form> (1,506)
Free Base

>  <URL> (1,506)
http://www.selleckchem.com/products/bithionol.html

>  <CAS Number> (1,506)
97-18-7

$$$$
Resorcinol.cdx
csChFnd80/07171813002D

  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> (1,507)
2772

>  <Formula> (1,507)
C6H6O2

>  <MolWeight> (1,507)
110.11064

>  <Item Name> (1,507)
Resorcinol

>  <Catalog Number> (1,507)
S4579

>  <Synonyms> (1,507)
m-dihydroxybenzene, 3-hydroxyphenol

>  <Target> (1,507)
Antifection

>  <Form> (1,507)
Free Base

>  <URL> (1,507)
http://www.selleckchem.com/products/resorcinol.html

>  <CAS Number> (1,507)
108-46-3

$$$$
Aminoguanidine (hydrochloride).cdx
csChFnd80/07171813002D

  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> (1,508)
2773

>  <Formula> (1,508)
CH7ClN4

>  <MolWeight> (1,508)
110.54608

>  <Item Name> (1,508)
Aminoguanidine (hydrochloride)

>  <Catalog Number> (1,508)
S4548

>  <Synonyms> (1,508)
Pimagedine, Guanyl hydrazine, Hydrazinecarboximidamide, Imino semicarbazide, Monoaminoguanidine

>  <Target> (1,508)
Others

>  <Form> (1,508)
hydrochloride

>  <URL> (1,508)
http://www.selleckchem.com/products/aminoguanidine-hydrochloride.html

>  <CAS Number> (1,508)
1937-19-5

$$$$
Diethylcarbamazine (citrate).cdx
csChFnd80/07171813002D

 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> (1,509)
2775

>  <Formula> (1,509)
C16H29N3O8

>  <MolWeight> (1,509)
391.41676

>  <Item Name> (1,509)
Diethylcarbamazine (citrate)

>  <Catalog Number> (1,509)
S4564

>  <Synonyms> (1,509)
N/A

>  <Target> (1,509)
Antifection

>  <Form> (1,509)
Free Base

>  <URL> (1,509)
http://www.selleckchem.com/products/diethylcarbamazine-citrate.html

>  <CAS Number> (1,509)
1642-54-2

$$$$
Danthron.cdx
csChFnd80/07171813002D

 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> (1,510)
2776

>  <Formula> (1,510)
C14H8O4

>  <MolWeight> (1,510)
240.21092

>  <Item Name> (1,510)
Danthron

>  <Catalog Number> (1,510)
S4561

>  <Synonyms> (1,510)
chrysazin, Antrapurol

>  <Target> (1,510)
Others

>  <Form> (1,510)
Free Base

>  <URL> (1,510)
http://www.selleckchem.com/products/danthron.html

>  <CAS Number> (1,510)
117-10-2

$$$$
Trihexyphenidyl (hydrochloride).cdx
csChFnd80/07171813002D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.0702    3.6253    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7702    4.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3702    2.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8552    4.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    2.9268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1728    4.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0743    6.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9863    2.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    1.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6427    3.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8831    6.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7849    7.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2782    1.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    4.3268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1864    7.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9740    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    5.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    3.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    6.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0034    5.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7420    0.5961    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,511)
2778

>  <Formula> (1,511)
C20H32ClNO

>  <MolWeight> (1,511)
337.92718

>  <Item Name> (1,511)
Trihexyphenidyl hydrochloride

>  <Catalog Number> (1,511)
S4542

>  <Synonyms> (1,511)
Benzhexol hydrochloride, Artane hydrochloride

>  <Target> (1,511)
AChR

>  <Form> (1,511)
hydrochloride

>  <URL> (1,511)
http://www.selleckchem.com/products/trihexyphenidyl-hydrochloride.html

>  <CAS Number> (1,511)
52-49-3

$$$$
Trimetazidine (dihydrochloride).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,512)
2779

>  <Formula> (1,512)
C14H24Cl2N2O3

>  <MolWeight> (1,512)
339.25796

>  <Item Name> (1,512)
Trimetazidine dihydrochloride

>  <Catalog Number> (1,512)
S4543

>  <Synonyms> (1,512)
Yoshimilon, Kyurinett, Vastarel F

>  <Target> (1,512)
Others

>  <Form> (1,512)
Dihydrochloride

>  <URL> (1,512)
http://www.selleckchem.com/products/trimetazidine-dihydrochloride.html

>  <CAS Number> (1,512)
13171-25-0

$$$$
Salicylic acid.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,513)
2781

>  <Formula> (1,513)
C7H6O3

>  <MolWeight> (1,513)
138.12074

>  <Item Name> (1,513)
Salicylic acid

>  <Catalog Number> (1,513)
S4539

>  <Synonyms> (1,513)
2-Hydroxybenzoic acid

>  <Target> (1,513)
COX

>  <Form> (1,513)
Free Base

>  <URL> (1,513)
http://www.selleckchem.com/products/salicylic-acid.html

>  <CAS Number> (1,513)
69-72-7

$$$$
BI-78D3.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,514)
2782

>  <Formula> (1,514)
C13H9N5O5S2

>  <MolWeight> (1,514)
379.37106

>  <Item Name> (1,514)
BI-78D3

>  <Catalog Number> (1,514)
S8201

>  <Synonyms> (1,514)
N/A

>  <Target> (1,514)
JNK

>  <Form> (1,514)
Free Base

>  <URL> (1,514)
http://www.selleckchem.com/products/bi-78d3.html

>  <CAS Number> (1,514)
883065-90-5

$$$$
FCCP.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,515)
2783

>  <Formula> (1,515)
C10H5F3N4O

>  <MolWeight> (1,515)
254.1681096

>  <Item Name> (1,515)
FCCP

>  <Catalog Number> (1,515)
S8276

>  <Synonyms> (1,515)
Trifluoromethoxy carbonylcyanide phenylhydrazone

>  <Target> (1,515)
ATPase

>  <Form> (1,515)
Free Base

>  <URL> (1,515)
http://www.selleckchem.com/products/fccp.html

>  <CAS Number> (1,515)
370-86-5

$$$$
FPS-ZM1.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,516)
2785

>  <Formula> (1,516)
C20H22ClNO

>  <MolWeight> (1,516)
327.84778

>  <Item Name> (1,516)
FPS-ZM1

>  <Catalog Number> (1,516)
S8185

>  <Synonyms> (1,516)
N/A

>  <Target> (1,516)
Others

>  <Form> (1,516)
Free Base

>  <URL> (1,516)
http://www.selleckchem.com/products/fps-zm1.html

>  <CAS Number> (1,516)
945714-67-0

$$$$
PF-8380.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,517)
2786

>  <Formula> (1,517)
C22H21Cl2N3O5

>  <MolWeight> (1,517)
478.32524

>  <Item Name> (1,517)
PF-8380

>  <Catalog Number> (1,517)
S8218

>  <Synonyms> (1,517)
N/A

>  <Target> (1,517)
PDE

>  <Form> (1,517)
Free Base

>  <URL> (1,517)
http://www.selleckchem.com/products/pf-8380.html

>  <CAS Number> (1,517)
1144035-53-9

$$$$
Methylene Blue.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,518)
2787

>  <Formula> (1,518)
C16H18ClN3S

>  <MolWeight> (1,518)
319.85222

>  <Item Name> (1,518)
Methylene Blue

>  <Catalog Number> (1,518)
S4535

>  <Synonyms> (1,518)
Basic Blue 9, Tetramethylthionine chloride, methylthioninium chloride, CI-52015

>  <Target> (1,518)
Others

>  <Form> (1,518)
Free Base

>  <URL> (1,518)
http://www.selleckchem.com/products/methylene-blue.html

>  <CAS Number> (1,518)
61-73-4

$$$$
APTSTAT3-9R.cdx
csChFnd80/07171813002D

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APTSTAT3-9R

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N/A

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STAT

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Free Base

>  <URL> (1,519)
http://www.selleckchem.com/products/aptstat3-9r.html

>  <CAS Number> (1,519)
C223H330N80O51

$$$$
Idramantone.cdx
csChFnd80/07171813002D

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

>  <CAS Number> (1,520)
20098-14-0

$$$$
Eprodisate (disodium).cdx
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36589-58-9

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>  <Formula> (1,525)
C27H42N2O5S

>  <MolWeight> (1,525)
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>  <Item Name> (1,525)
Ixabepilone (BMS-247550)

>  <Catalog Number> (1,525)
S7930

>  <Synonyms> (1,525)
Azaepothilone B, BMS 247550, BMS 247550-1, Ixempra

>  <Target> (1,525)
Microtubule Associated

>  <Form> (1,525)
Free Base

>  <URL> (1,525)
http://www.selleckchem.com/products/ixabepilone-bms-247550.html

>  <CAS Number> (1,525)
219989-84-1

$$$$
GSK481.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,526)
2797

>  <Formula> (1,526)
C21H19N3O4

>  <MolWeight> (1,526)
377.39326

>  <Item Name> (1,526)
GSK481

>  <Catalog Number> (1,526)
S8169

>  <Synonyms> (1,526)
N/A

>  <Target> (1,526)
TNF-alpha

>  <Form> (1,526)
Free Base

>  <URL> (1,526)
http://www.selleckchem.com/products/gsk481.html

>  <CAS Number> (1,526)
1622849-58-4

$$$$
A-366.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,527)
2798

>  <Formula> (1,527)
C19H27N3O2

>  <MolWeight> (1,527)
329.43658

>  <Item Name> (1,527)
A-366

>  <Catalog Number> (1,527)
S7572

>  <Synonyms> (1,527)
N/A

>  <Target> (1,527)
Histone Methyltransferase

>  <Form> (1,527)
Free Base

>  <URL> (1,527)
http://www.selleckchem.com/products/a-366.html

>  <CAS Number> (1,527)
1527503-11-2

$$$$
Carsalam.cdx
csChFnd80/07171813002D

 12 13  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,528)
2799

>  <Formula> (1,528)
C8H5NO3

>  <MolWeight> (1,528)
163.1302

>  <Item Name> (1,528)
Carsalam

>  <Catalog Number> (1,528)
S4555

>  <Synonyms> (1,528)
Carbonylsalicylamide

>  <Target> (1,528)
Antifection

>  <Form> (1,528)
Free Base

>  <URL> (1,528)
http://www.selleckchem.com/products/carsalam.html

>  <CAS Number> (1,528)
2037-95-8

$$$$
S4571 Hexylresorcinol.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,529)
2800

>  <Formula> (1,529)
C12H18O2

>  <MolWeight> (1,529)
194.27012

>  <Item Name> (1,529)
Hexylresorcinol

>  <Catalog Number> (1,529)
S4571

>  <Synonyms> (1,529)
4-Hexylresorcinol

>  <Target> (1,529)
Tyrosinase

>  <Form> (1,529)
Free Base

>  <URL> (1,529)
http://www.selleckchem.com/products/hexylresorcinol.html

>  <CAS Number> (1,529)
136-77-6

$$$$
S4569 Fluphenazine (dihydrochloride).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,530)
2801

>  <Formula> (1,530)
C22H28Cl2F3N3OS

>  <MolWeight> (1,530)
510.4434296

>  <Item Name> (1,530)
Fluphenazine (dihydrochloride)

>  <Catalog Number> (1,530)
S4569

>  <Synonyms> (1,530)
Prolixin

>  <Target> (1,530)
Dopamine Receptor

>  <Form> (1,530)
dihydrochloride

>  <URL> (1,530)
http://www.selleckchem.com/products/fluphenazine-dihydrochloride.html

>  <CAS Number> (1,530)
146-56-5

$$$$
S4566 DL-Panthenol.cdx
csChFnd80/07171813002D

 14 13  0  0  0  0  0  0  0  0999 V2000
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    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
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    0.0000    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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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M  END
>  <Mol_ID> (1,531)
2803

>  <Formula> (1,531)
C9H19NO4

>  <MolWeight> (1,531)
205.25146

>  <Item Name> (1,531)
DL-Panthenol

>  <Catalog Number> (1,531)
S4566

>  <Synonyms> (1,531)
DL-Pantothenol, DL-Pantothenyl alcohol

>  <Target> (1,531)
Others

>  <Form> (1,531)
Free Base

>  <URL> (1,531)
http://www.selleckchem.com/products/dl-panthenol.html

>  <CAS Number> (1,531)
16485-10-2

$$$$
S4565 Diiodohydroxyquinoline.cdx
csChFnd80/07171813002D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6213    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    3.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4634    4.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    3.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4634    5.5870    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0597    3.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4099    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,532)
2804

>  <Formula> (1,532)
C9H5I2NO

>  <MolWeight> (1,532)
396.95104

>  <Item Name> (1,532)
Diiodohydroxyquinoline

>  <Catalog Number> (1,532)
S4565

>  <Synonyms> (1,532)
Iodoquinol

>  <Target> (1,532)
Antifection

>  <Form> (1,532)
Free Base

>  <URL> (1,532)
http://www.selleckchem.com/products/diiodohydroxyquinoline.html

>  <CAS Number> (1,532)
83-73-8

$$$$
S4559 Cloxiquine.cdx
csChFnd80/07171813002D

 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
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  3  7  2  0  0  0  0
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  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,533)
2805

>  <Formula> (1,533)
C9H6ClNO

>  <MolWeight> (1,533)
179.60304

>  <Item Name> (1,533)
Cloxiquine

>  <Catalog Number> (1,533)
S4559

>  <Synonyms> (1,533)
5-Chloro-8-quinolinol, Dermofungin|

>  <Target> (1,533)
Antifection

>  <Form> (1,533)
Free Base

>  <URL> (1,533)
http://www.selleckchem.com/products/cloxiquine.html

>  <CAS Number> (1,533)
130-16-5

$$$$
S4558 Citiolone.cdx
csChFnd80/07171813002D

 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
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  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,534)
2806

>  <Formula> (1,534)
C6H9NO2S

>  <MolWeight> (1,534)
159.20616

>  <Item Name> (1,534)
Citiolone

>  <Catalog Number> (1,534)
S4558

>  <Synonyms> (1,534)
N/A

>  <Target> (1,534)
Others

>  <Form> (1,534)
Free Base

>  <URL> (1,534)
http://www.selleckchem.com/products/citiolone.html

>  <CAS Number> (1,534)
1195-16-0

$$$$
S4556 Carzenide.cdx
csChFnd80/07171813002D

 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 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,535)
2807

>  <Formula> (1,535)
C7H7NO4S

>  <MolWeight> (1,535)
201.19978

>  <Item Name> (1,535)
Carzenide

>  <Catalog Number> (1,535)
S4556

>  <Synonyms> (1,535)
4-Sulfamoylbenzoic acid

>  <Target> (1,535)
Others

>  <Form> (1,535)
Free Base

>  <URL> (1,535)
http://www.selleckchem.com/products/carzenide.html

>  <CAS Number> (1,535)
138-41-0

$$$$
S4553 Bronopol.cdx
csChFnd80/07171813002D

  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
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,536)
2808

>  <Formula> (1,536)
C3H6BrNO4

>  <MolWeight> (1,536)
199.98804

>  <Item Name> (1,536)
Bronopol

>  <Catalog Number> (1,536)
S4553

>  <Synonyms> (1,536)
N/A

>  <Target> (1,536)
Antifection

>  <Form> (1,536)
Free Base

>  <URL> (1,536)
http://www.selleckchem.com/products/bronopol.html

>  <CAS Number> (1,536)
52-51-7

$$$$
S4549 Antimonyl (potassium tartrate trihydrate).cdx
csChFnd80/07171813002D

 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
    4.9081    3.5639    0.0000 Sb  0  5  0  0  0  0  0  0  0  0  0  0
    4.2351    4.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0064    7.1891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   11.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
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  7 11  1  0  0  0  0
  7  9  1  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
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,537)
2809

>  <Formula> (1,537)
C8H10K2O15Sb2

>  <MolWeight> (1,537)
667.8726

>  <Item Name> (1,537)
Antimonyl (potassium tartrate trihydrate)

>  <Catalog Number> (1,537)
S4549

>  <Synonyms> (1,537)
Tartar emetic

>  <Target> (1,537)
Others

>  <Form> (1,537)
Free Base

>  <URL> (1,537)
http://www.selleckchem.com/products/antimonyl-potassium-tartrate-trihydrate.html

>  <CAS Number> (1,537)
28300-74-5

$$$$
S4516 (+)-Camphor.cdx
csChFnd80/07171813002D

 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
    3.4060    2.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020    2.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    2.8686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3545    4.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421    4.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7168    5.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520    0.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2383    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,538)
2814

>  <Formula> (1,538)
C10H16O

>  <MolWeight> (1,538)
152.23344

>  <Item Name> (1,538)
(+)-Camphor

>  <Catalog Number> (1,538)
S4516

>  <Synonyms> (1,538)
N/A

>  <Target> (1,538)
TRPV

>  <Form> (1,538)
Free Base

>  <URL> (1,538)
http://www.selleckchem.com/products/camphor.html

>  <CAS Number> (1,538)
464-49-3

$$$$
S4594 Cephalothin.cdx
csChFnd80/07171813002D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,539)
2815

>  <Formula> (1,539)
C16H15N2NaO6S2

>  <MolWeight> (1,539)
418.41987

>  <Item Name> (1,539)
Cephalothin

>  <Catalog Number> (1,539)
S4594

>  <Synonyms> (1,539)
Cefalotin

>  <Target> (1,539)
Antifection

>  <Form> (1,539)
Free Base

>  <URL> (1,539)
http://www.selleckchem.com/products/cephalothin.html

>  <CAS Number> (1,539)
58-71-9

$$$$
S4593 Chlormadinone acetate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,540)
2816

>  <Formula> (1,540)
C23H29ClO4

>  <MolWeight> (1,540)
404.92696

>  <Item Name> (1,540)
Chlormadinone acetate

>  <Catalog Number> (1,540)
S4593

>  <Synonyms> (1,540)
Gestafortin

>  <Target> (1,540)
Estrogen/progestogen

>  <Form> (1,540)
Free Base

>  <URL> (1,540)
http://www.selleckchem.com/products/chlormadinone-acetate.html

>  <CAS Number> (1,540)
302-22-7

$$$$
Tyloxapol.cdx
csChFnd80/07171813002D

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A   61
m
A   62
m
A   63
m
A   64
n
A   65
m=6-8;n<=5
M  END
>  <Mol_ID> (1,541)
2817

>  <Formula> (1,541)
C51H80O6R5

>  <MolWeight> (1,541)
789.1773

>  <Item Name> (1,541)
Tyloxapol

>  <Catalog Number> (1,541)
S4578

>  <Synonyms> (1,541)
Triton WR1339

>  <Target> (1,541)
Others

>  <Form> (1,541)
Free Base

>  <URL> (1,541)
http://www.selleckchem.com/products/tyloxapol.html

>  <CAS Number> (1,541)
25301-02-4

$$$$
Halothane.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,542)
2818

>  <Formula> (1,542)
C2HBrClF3

>  <MolWeight> (1,542)
197.3815496

>  <Item Name> (1,542)
Halothane

>  <Catalog Number> (1,542)
S4570

>  <Synonyms> (1,542)
Narcotane

>  <Target> (1,542)
Others

>  <Form> (1,542)
Free Base

>  <URL> (1,542)
http://www.selleckchem.com/products/halothane.html

>  <CAS Number> (1,542)
151-67-7

$$$$
Terpin (hydrate).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,543)
2819

>  <Formula> (1,543)
C10H22O3

>  <MolWeight> (1,543)
190.27988

>  <Item Name> (1,543)
Terpin (hydrate)

>  <Catalog Number> (1,543)
S4577

>  <Synonyms> (1,543)
N/A

>  <Target> (1,543)
Others

>  <Form> (1,543)
hydrate

>  <URL> (1,543)
http://www.selleckchem.com/products/terpin-hydrate.html

>  <CAS Number> (1,543)
2451-01-6

$$$$
Triacetin.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,544)
2820

>  <Formula> (1,544)
C9H14O6

>  <MolWeight> (1,544)
218.20386

>  <Item Name> (1,544)
Triacetin

>  <Catalog Number> (1,544)
S4581

>  <Synonyms> (1,544)
	Glycerol triacetate, Glyceryl triacetate, Glycerin triacetate, 1,2,3-Triacetoxypropane

>  <Target> (1,544)
Others

>  <Form> (1,544)
Free Base

>  <URL> (1,544)
http://www.selleckchem.com/products/triacetin.html

>  <CAS Number> (1,544)
102-76-1

$$$$
Xylitol.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,545)
2821

>  <Formula> (1,545)
C5H12O5

>  <MolWeight> (1,545)
152.14578

>  <Item Name> (1,545)
Xylitol

>  <Catalog Number> (1,545)
S4546

>  <Synonyms> (1,545)
Adonitol, Ribitol, Xylite, D-Xylitol, Adonite

>  <Target> (1,545)
Others

>  <Form> (1,545)
Free Base

>  <URL> (1,545)
http://www.selleckchem.com/products/xylitol.html

>  <CAS Number> (1,545)
87-99-0

$$$$
Urethane.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,546)
2822

>  <Formula> (1,546)
C3H7NO2

>  <MolWeight> (1,546)
89.09318

>  <Item Name> (1,546)
Urethane

>  <Catalog Number> (1,546)
S4544

>  <Synonyms> (1,546)
Carbamic acid ethyl ester, Ethyl carbamate, Ethylurethane

>  <Target> (1,546)
Others

>  <Form> (1,546)
Free Base

>  <URL> (1,546)
http://www.selleckchem.com/products/urethane.html

>  <CAS Number> (1,546)
51-79-6

$$$$
GSK2292767.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,547)
2823

>  <Formula> (1,547)
C24H28N6O5S

>  <MolWeight> (1,547)
512.58132

>  <Item Name> (1,547)
GSK2292767

>  <Catalog Number> (1,547)
S7938

>  <Synonyms> (1,547)
N/A

>  <Target> (1,547)
PI3K

>  <Form> (1,547)
Free Base

>  <URL> (1,547)
http://www.selleckchem.com/products/gsk2292767.html

>  <CAS Number> (1,547)
1254036-66-2

$$$$
AMG337.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,548)
2824

>  <Formula> (1,548)
C23H22FN7O3

>  <MolWeight> (1,548)
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>  <Item Name> (1,548)
AMG 337

>  <Catalog Number> (1,548)
S8167

>  <Synonyms> (1,548)
N/A

>  <Target> (1,548)
c-Met

>  <Form> (1,548)
Free Base

>  <URL> (1,548)
http://www.selleckchem.com/products/amg-337.html

>  <CAS Number> (1,548)
1173699-31-4

$$$$
SKF96365.cdx
csChFnd80/07171813002D

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 21 16  1  0  0  0  0
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M  END
>  <Mol_ID> (1,549)
2826

>  <Formula> (1,549)
C22H27ClN2O3

>  <MolWeight> (1,549)
402.91438

>  <Item Name> (1,549)
SKF96365

>  <Catalog Number> (1,549)
S7999

>  <Synonyms> (1,549)
N/A

>  <Target> (1,549)
Calcium Channel

>  <Form> (1,549)
Hydrochloride

>  <URL> (1,549)
http://www.selleckchem.com/products/skf96365.html

>  <CAS Number> (1,549)
130495-35-1

$$$$
S4600 Benzyl alcohol.cdx
csChFnd80/07171813002D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    4.8846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  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
M  END
>  <Mol_ID> (1,550)
2827

>  <Formula> (1,550)
C7H8O

>  <MolWeight> (1,550)
108.13782

>  <Item Name> (1,550)
Benzyl alcohol

>  <Catalog Number> (1,550)
S4600

>  <Synonyms> (1,550)
Phenylmethanol, Benzenemethanol, Phenylcarbinol, Benzoyl alcohol

>  <Target> (1,550)
Others

>  <Form> (1,550)
Free Base

>  <URL> (1,550)
http://www.selleckchem.com/products/benzyl-alcohol.html

>  <CAS Number> (1,550)
100-51-6

$$$$
S4599 Benzyl benzoate.cdx
csChFnd80/07171813002D

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    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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    1.2124    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 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  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
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M  END
>  <Mol_ID> (1,551)
2828

>  <Formula> (1,551)
C14H12O2

>  <MolWeight> (1,551)
212.24388

>  <Item Name> (1,551)
Benzyl benzoate

>  <Catalog Number> (1,551)
S4599

>  <Synonyms> (1,551)
Ascabiol, Novoscabin, Scabitox, Benzoic acid benzyl ester

>  <Target> (1,551)
Others

>  <Form> (1,551)
Free Base

>  <URL> (1,551)
http://www.selleckchem.com/products/benzyl-benzoate.html

>  <CAS Number> (1,551)
120-51-4

$$$$
S4597 Lercanidipine (hydrochloride).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,552)
2829

>  <Formula> (1,552)
C36H42ClN3O6

>  <MolWeight> (1,552)
648.18818

>  <Item Name> (1,552)
Lercanidipine (hydrochloride)

>  <Catalog Number> (1,552)
S4597

>  <Synonyms> (1,552)
Zanidip (hydrochloride), Masnidipine (hydrochloride)

>  <Target> (1,552)
Calcium Channel

>  <Form> (1,552)
hydrochloride

>  <URL> (1,552)
http://www.selleckchem.com/products/lercanidipine-hydrochloride.html

>  <CAS Number> (1,552)
132866-11-6

$$$$
S4596 Cefixime.cdx
csChFnd80/07171813002D

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 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> (1,553)
2830

>  <Formula> (1,553)
C16H15N5O7S2

>  <MolWeight> (1,553)
453.4496

>  <Item Name> (1,553)
Cefixime

>  <Catalog Number> (1,553)
S4596

>  <Synonyms> (1,553)
Cefixima, Cefiximum, Cephoral, Cefspan, FR-17027, FK-027, CL-284635

>  <Target> (1,553)
Antifection

>  <Form> (1,553)
Free Base

>  <URL> (1,553)
http://www.selleckchem.com/products/cefixime.html

>  <CAS Number> (1,553)
79350-37-1

$$$$
S4595 Cefazolin (sodium).cdx
csChFnd80/07171813002D

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    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
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   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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    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
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  7 12  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> (1,554)
2831

>  <Formula> (1,554)
C14H13N8NaO4S3

>  <MolWeight> (1,554)
476.48899

>  <Item Name> (1,554)
Cefazolin Sodium

>  <Catalog Number> (1,554)
S4595

>  <Synonyms> (1,554)
cefazoline sodium, cephazolin sodium, Ancef

>  <Target> (1,554)
Antifection

>  <Form> (1,554)
Sodium Salt

>  <URL> (1,554)
http://www.selleckchem.com/products/cefazolin-sodium.html

>  <CAS Number> (1,554)
27164-46-1

$$$$
S4591 Nitroxoline.cdx
csChFnd80/07171813002D

 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
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  4  9  1  0  0  0  0
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  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> (1,555)
2832

>  <Formula> (1,555)
C9H6N2O3

>  <MolWeight> (1,555)
190.15554

>  <Item Name> (1,555)
Nitroxoline

>  <Catalog Number> (1,555)
S4591

>  <Synonyms> (1,555)
8-Hydroxy-5-nitroquinoline, 5-nitroquinolin-8-ol, 5-Nitro-8-quinolinol|5-Nitro-8-hydroxyquinoline

>  <Target> (1,555)
Topoisomerase

>  <Form> (1,555)
Free Base

>  <URL> (1,555)
http://www.selleckchem.com/products/nitroxoline.html

>  <CAS Number> (1,555)
4008-48-4

$$$$
S4587 Dithranol.cdx
csChFnd80/07171813002D

 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
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  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,556)
2833

>  <Formula> (1,556)
C6H10N4

>  <MolWeight> (1,556)
138.1704

>  <Item Name> (1,556)
Pentylenetetrazol

>  <Catalog Number> (1,556)
S4587

>  <Synonyms> (1,556)
	Pentylenetetrazole, Metrazole, pentetrazol, pentamethylenetetrazol, Corazol, Cardiazol, PTZ

>  <Target> (1,556)
GABA Receptor

>  <Form> (1,556)
Free Base

>  <URL> (1,556)
http://www.selleckchem.com/products/pentylenetetrazol.html

>  <CAS Number> (1,556)
54-95-5

$$$$
S4585 Succinylsulfathiazole.cdx
csChFnd80/07171813002D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.6711    7.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3711    8.5190    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2884    7.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3911    6.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0711    9.7314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5746    7.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497    9.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6129    6.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7025    4.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4621    9.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3015    4.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3006   10.8813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2845    8.6138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6015    3.6364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6464   10.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6338    9.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
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 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> (1,557)
2835

>  <Formula> (1,557)
C13H13N3O5S2

>  <MolWeight> (1,557)
355.38942

>  <Item Name> (1,557)
Succinylsulfathiazole

>  <Catalog Number> (1,557)
S4585

>  <Synonyms> (1,557)
Succinylsulphathiazole

>  <Target> (1,557)
Antifection

>  <Form> (1,557)
Free Base

>  <URL> (1,557)
http://www.selleckchem.com/products/succinylsulfathiazole.html

>  <CAS Number> (1,557)
116-43-8

$$$$
S4584 Butylparaben.cdx
csChFnd80/07171813002D

 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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 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,558)
2836

>  <Formula> (1,558)
C11H14O3

>  <MolWeight> (1,558)
194.22706

>  <Item Name> (1,558)
Butylparaben

>  <Catalog Number> (1,558)
S4584

>  <Synonyms> (1,558)
Butyl parahydroxybenzoate, Butyl paraben, Butyl 4-hydroxybenzoate

>  <Target> (1,558)
Antifection

>  <Form> (1,558)
Free Base

>  <URL> (1,558)
http://www.selleckchem.com/products/butylparaben.html

>  <CAS Number> (1,558)
94-26-8

$$$$
S4583 Butamben.cdx
csChFnd80/07171813002D

 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
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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> (1,559)
2837

>  <Formula> (1,559)
C11H15NO2

>  <MolWeight> (1,559)
193.2423

>  <Item Name> (1,559)
Butamben

>  <Catalog Number> (1,559)
S4583

>  <Synonyms> (1,559)
Butyl 4-aminobenzoate

>  <Target> (1,559)
Others

>  <Form> (1,559)
Free Base

>  <URL> (1,559)
http://www.selleckchem.com/products/butamben.html

>  <CAS Number> (1,559)
94-25-7

$$$$
S4580 Hydroquinone.cdx
csChFnd80/07171813002D

  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
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  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> (1,560)
2838

>  <Formula> (1,560)
C6H6O2

>  <MolWeight> (1,560)
110.11064

>  <Item Name> (1,560)
Hydroquinone

>  <Catalog Number> (1,560)
S4580

>  <Synonyms> (1,560)
Quinol, 1,4-Benzenediol, 1,4-Dihydroxybenzene, HQ

>  <Target> (1,560)
ROS

>  <Form> (1,560)
Free Base

>  <URL> (1,560)
http://www.selleckchem.com/products/hydroquinone.html

>  <CAS Number> (1,560)
123-31-9

$$$$
S4576 Sulfabenzamide.cdx
csChFnd80/07171813002D

 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
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  2  6  2  0  0  0  0
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 15 17  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,561)
2839

>  <Formula> (1,561)
C13H12N2O3S

>  <MolWeight> (1,561)
276.31098

>  <Item Name> (1,561)
Sulfabenzamide

>  <Catalog Number> (1,561)
S4576

>  <Synonyms> (1,561)
Sultrin, N-Sulfanilylbenzamide

>  <Target> (1,561)
Antifection

>  <Form> (1,561)
Free Base

>  <URL> (1,561)
http://www.selleckchem.com/products/sulfabenzamide.html

>  <CAS Number> (1,561)
127-71-9

$$$$
S4575 Pralidoxime (chloride).cdx
csChFnd80/07171813002D

 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> (1,562)
2840

>  <Formula> (1,562)
C7H9ClN2O

>  <MolWeight> (1,562)
172.61216

>  <Item Name> (1,562)
Pralidoxime (chloride)

>  <Catalog Number> (1,562)
S4575

>  <Synonyms> (1,562)
2-PAM (chloride)

>  <Target> (1,562)
AChR

>  <Form> (1,562)
Free Base

>  <URL> (1,562)
http://www.selleckchem.com/products/pralidoxime-chloride.html

>  <CAS Number> (1,562)
51-15-0

$$$$
Cefuroxime sodium.cdx
csChFnd80/07171813002D

 31 32  0  0  0  0  0  0  0  0999 V2000
    7.2743    6.0652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    6.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493    6.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493    4.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0626    3.9651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    4.6654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6742    4.6654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6738    6.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    8.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    8.8662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2640    8.8543    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6713    7.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6591    3.6805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0188    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3812    5.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0088    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6464    1.7146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2941    1.3523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9318    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4491    2.5482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3611    3.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8648    4.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2627    4.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6230    3.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6469    6.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    6.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 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
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 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> (1,563)
2841

>  <Formula> (1,563)
C16H15N4NaO8S

>  <MolWeight> (1,563)
446.36707

>  <Item Name> (1,563)
Cefuroxime sodium

>  <Catalog Number> (1,563)
S4620

>  <Synonyms> (1,563)
N/A

>  <Target> (1,563)
Antifection

>  <Form> (1,563)
Sodium Salt

>  <URL> (1,563)
http://www.selleckchem.com/products/cefuroxime-sodium.html

>  <CAS Number> (1,563)
56238-63-2

$$$$
S4619 Itopride hydrochloride.cdx
csChFnd80/07171813002D

 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
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  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
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 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,564)
2842

>  <Formula> (1,564)
C20H27ClN2O4

>  <MolWeight> (1,564)
394.89238

>  <Item Name> (1,564)
Itopride hydrochloride

>  <Catalog Number> (1,564)
S4619

>  <Synonyms> (1,564)
Ganaton, HSR803

>  <Target> (1,564)
AChR

>  <Form> (1,564)
hydrochloride

>  <URL> (1,564)
http://www.selleckchem.com/products/itopride-hydrochloride.html

>  <CAS Number> (1,564)
122892-31-3

$$$$
S4574 Piperazine.cdx
csChFnd80/07171813002D

  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> (1,565)
2843

>  <Formula> (1,565)
C4H10N2

>  <MolWeight> (1,565)
86.1356

>  <Item Name> (1,565)
Piperazine

>  <Catalog Number> (1,565)
S4574

>  <Synonyms> (1,565)
1,4-Diazacyclohexane, Diethylenediamine, exahydropyrazine, Piperazidine

>  <Target> (1,565)
GABA Receptor

>  <Form> (1,565)
Free Base

>  <URL> (1,565)
http://www.selleckchem.com/products/piperazine.html

>  <CAS Number> (1,565)
110-85-0

$$$$
Sisomicin sulfate.cdx
csChFnd80/07171813002D

 87 86  0  0  0  0  0  0  0  0999 V2000
    0.0000    9.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    9.3884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124   10.0884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.2124   11.4884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.1884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.3884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    7.9884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    7.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.9884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    9.3884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622   10.0884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,566)
2844

>  <Formula> (1,566)
C38H84N10O34S5

>  <MolWeight> (1,566)
1385.44516

>  <Item Name> (1,566)
Sisomicin sulfate

>  <Catalog Number> (1,566)
S4540

>  <Synonyms> (1,566)
N/A

>  <Target> (1,566)
Antifection

>  <Form> (1,566)
2.5Sulfate

>  <URL> (1,566)
http://www.selleckchem.com/products/sisomicin-sulfate.html

>  <CAS Number> (1,566)
53179-09-2

$$$$
S4589 Amodiaquin (dihydrochloride dihydrate).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,567)
2845

>  <Formula> (1,567)
C20H28Cl3N3O3

>  <MolWeight> (1,567)
464.81362

>  <Item Name> (1,567)
Amodiaquin (dihydrochloride dihydrate)

>  <Catalog Number> (1,567)
S4589

>  <Synonyms> (1,567)
N/A

>  <Target> (1,567)
Transferase,Histone

>  <Form> (1,567)
dihydrochloride dihydrate

>  <URL> (1,567)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

>  <CAS Number> (1,567)
6398-98-7

$$$$
NQDI-1.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,568)
2846

>  <Formula> (1,568)
C19H13NO4

>  <MolWeight> (1,568)
319.31082

>  <Item Name> (1,568)
NQDI-1

>  <Catalog Number> (1,568)
S8289

>  <Synonyms> (1,568)
N/A

>  <Target> (1,568)
Caspase

>  <Form> (1,568)
Free Base

>  <URL> (1,568)
http://www.selleckchem.com/products/nqdi-1.html

>  <CAS Number> (1,568)
175026-96-7

$$$$
S4632 Hexachlorophene.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,569)
2849

>  <Formula> (1,569)
C13H6Cl6O2

>  <MolWeight> (1,569)
406.90354

>  <Item Name> (1,569)
Hexachlorophene

>  <Catalog Number> (1,569)
S4632

>  <Synonyms> (1,569)
Hexachlorofen, Fostril, Nabac, pHisoHex

>  <Target> (1,569)
Potassium Channel

>  <Form> (1,569)
Free Base

>  <URL> (1,569)
http://www.selleckchem.com/products/hexachlorophene.html

>  <CAS Number> (1,569)
70-30-4

$$$$
S4630 Diazoxide.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,570)
2850

>  <Formula> (1,570)
C8H7ClN2O2S

>  <MolWeight> (1,570)
230.67138

>  <Item Name> (1,570)
Diazoxide

>  <Catalog Number> (1,570)
S4630

>  <Synonyms> (1,570)
Sch-6783, SRG-95213, Proglycem

>  <Target> (1,570)
Potassium Channel

>  <Form> (1,570)
Free Base

>  <URL> (1,570)
http://www.selleckchem.com/products/diazoxide.html

>  <CAS Number> (1,570)
364-98-7

$$$$
S4629 Chlorotrianisene.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,571)
2851

>  <Formula> (1,571)
C23H21ClO3

>  <MolWeight> (1,571)
380.86404

>  <Item Name> (1,571)
Chlorotrianisene

>  <Catalog Number> (1,571)
S4629

>  <Synonyms> (1,571)
tri-p-anisylchloroethylene, tris(p-methoxyphenyl)chloroethylene, TACE, CTA

>  <Target> (1,571)
Estrogen/progestogen Receptor

>  <Form> (1,571)
Free Base

>  <URL> (1,571)
http://www.selleckchem.com/products/chlorotrianisene.html

>  <CAS Number> (1,571)
569-57-3

$$$$
S4628 (+-)-Sulfinpyrazone.cdx
csChFnd80/07171813002D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,572)
2852

>  <Formula> (1,572)
C23H20N2O3S

>  <MolWeight> (1,572)
404.4815

>  <Item Name> (1,572)
(+/-)-Sulfinpyrazone

>  <Catalog Number> (1,572)
S4628

>  <Synonyms> (1,572)
G-28315, NSC 75925

>  <Target> (1,572)
COX

>  <Form> (1,572)
Free Base

>  <URL> (1,572)
http://www.selleckchem.com/products/sulfinpyrazone.html

>  <CAS Number> (1,572)
57-96-5

$$$$
S4626 ETHOSUXIMIDE.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,573)
2853

>  <Formula> (1,573)
C7H11NO2

>  <MolWeight> (1,573)
141.16774

>  <Item Name> (1,573)
Ethosuximide

>  <Catalog Number> (1,573)
S4626

>  <Synonyms> (1,573)
N/A

>  <Target> (1,573)
Calcium Channel

>  <Form> (1,573)
Free Base

>  <URL> (1,573)
http://www.selleckchem.com/products/ethosuximide.html

>  <CAS Number> (1,573)
77-67-8

$$$$
S4618 Fenoldopam (mesylate).cdx
csChFnd80/07171813002D

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  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> (1,574)
2854

>  <Formula> (1,574)
C17H20ClNO6S

>  <MolWeight> (1,574)
401.8618

>  <Item Name> (1,574)
Fenoldopam (mesylate)

>  <Catalog Number> (1,574)
S4618

>  <Synonyms> (1,574)
SKF 82526 (mesylate), Fenoldopam methanesulfonate, Corlopam mesylate

>  <Target> (1,574)
Dopamine Receptor

>  <Form> (1,574)
mesylate

>  <URL> (1,574)
http://www.selleckchem.com/products/fenoldopam-mesylate.html

>  <CAS Number> (1,574)
67227-57-0

$$$$
S4617 Dextromethorphan hydrobromide hydrate.cdx
csChFnd80/07171813002D

 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
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    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
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  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> (1,575)
2855

>  <Formula> (1,575)
C18H28BrNO2

>  <MolWeight> (1,575)
370.32442

>  <Item Name> (1,575)
Dextromethorphan (hydrobromide hydrate)

>  <Catalog Number> (1,575)
S4617

>  <Synonyms> (1,575)
Dextromethorphan hydrobromide monohydrate

>  <Target> (1,575)
AChR

>  <Form> (1,575)
hydrobromide

>  <URL> (1,575)
http://www.selleckchem.com/products/dextromethorphan-hydrobromide-hydrate.html

>  <CAS Number> (1,575)
6700-34-1

$$$$
Tubercidin.cdx
csChFnd80/07171813002D

 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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    1.2145    2.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 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> (1,576)
2857

>  <Formula> (1,576)
C11H14N4O4

>  <MolWeight> (1,576)
266.25326

>  <Item Name> (1,576)
Tubercidin

>  <Catalog Number> (1,576)
S8095

>  <Synonyms> (1,576)
7-deaza-adenosine

>  <Target> (1,576)
DNA/RNA Synthesis

>  <Form> (1,576)
Free Base

>  <URL> (1,576)
http://www.selleckchem.com/products/tubercidin.html

>  <CAS Number> (1,576)
69-33-0

$$$$
L755507.cdx
csChFnd80/07171813002D

 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
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    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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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 27 28  1  0  0  0  0
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 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> (1,577)
2858

>  <Formula> (1,577)
C30H40N4O6S

>  <MolWeight> (1,577)
584.7268

>  <Item Name> (1,577)
L755507

>  <Catalog Number> (1,577)
S7974

>  <Synonyms> (1,577)
N/A

>  <Target> (1,577)
Adrenergic Receptor

>  <Form> (1,577)
Free Base

>  <URL> (1,577)
http://www.selleckchem.com/products/l755507.html

>  <CAS Number> (1,577)
159182-43-1

$$$$
S4582 Eflornithine  hydrochloride  hydrate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,578)
2859

>  <Formula> (1,578)
C6H15ClF2N2O3

>  <MolWeight> (1,578)
236.6447064

>  <Item Name> (1,578)
Eflornithine hydrochloride hydrate

>  <Catalog Number> (1,578)
S4582

>  <Synonyms> (1,578)
Difluoromethylornithine hydrochloride hydrate

>  <Target> (1,578)
Decarboxylase

>  <Form> (1,578)
hydrochloride hydrate

>  <URL> (1,578)
http://www.selleckchem.com/products/eflornithine-hydrochloride-hydrate.html

>  <CAS Number> (1,578)
96020-91-6

$$$$
S4640 Lesinurad.cdx
csChFnd80/07171813002D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  1  4  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
  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
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 15 16  1  0  0  0  0
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 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
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 15 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 23  1  0  0  0  0
 14 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 24  1  0  0  0  0
  5  8  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,579)
2862

>  <Formula> (1,579)
C17H14BrN3O2S

>  <MolWeight> (1,579)
404.28096

>  <Item Name> (1,579)
Lesinurad

>  <Catalog Number> (1,579)
S4640

>  <Synonyms> (1,579)
RDEA 594, RDEA-594, RDEA594

>  <Target> (1,579)
Others

>  <Form> (1,579)
Free Base

>  <URL> (1,579)
http://www.selleckchem.com/products/lesinurad.html

>  <CAS Number> (1,579)
878672-00-5

$$$$
S4612 Dapson.cdx
csChFnd80/07171813002D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.5931    1.4001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1930    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9931    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5931    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5931    2.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4935    0.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    2.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6867    2.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6949    0.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0929    0.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945    2.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0772    2.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0945    0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001    1.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7861    1.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1861    1.4836    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
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,580)
2864

>  <Formula> (1,580)
C12H12N2O2S

>  <MolWeight> (1,580)
248.30088

>  <Item Name> (1,580)
Dapson

>  <Catalog Number> (1,580)
S4612

>  <Synonyms> (1,580)
Dapsone, 4,4¡ä-Diaminodiphenyl sulfone, 4,4¡ä-Sulfonyldianiline, 4-Aminophenyl sulfone, Bis sulfone, 

>  <Target> (1,580)
Antifection

>  <Form> (1,580)
Free Base

>  <URL> (1,580)
http://www.selleckchem.com/products/dapson.html

>  <CAS Number> (1,580)
80-08-0

$$$$
S4610 Mebendazole.cdx
csChFnd80/07171813002D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2453    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    0.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5933    2.5145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5754    0.2465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0401    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8716    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4104    1.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8104    1.3697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    4.2650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5093    2.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045    2.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9104    2.5803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8098    3.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    0.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6101    3.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,581)
2865

>  <Formula> (1,581)
C16H13N3O3

>  <MolWeight> (1,581)
295.29272

>  <Item Name> (1,581)
Mebendazole

>  <Catalog Number> (1,581)
S4610

>  <Synonyms> (1,581)
Vermox, Telmin, Pantelmin, Mebenvet

>  <Target> (1,581)
Antifection

>  <Form> (1,581)
Free Base

>  <URL> (1,581)
http://www.selleckchem.com/products/mebendazole.html

>  <CAS Number> (1,581)
31431-39-7

$$$$
S4605 Folic acid.cdx
csChFnd80/07171813002D

 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
    2.4249    0.0000    0.0000 O   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    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
    8.4871    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
    7.2746    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
    7.2746    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
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  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
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 24 22  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (1,582)
2866

>  <Formula> (1,582)
C19H19N7O6

>  <MolWeight> (1,582)
441.39746

>  <Item Name> (1,582)
Folic acid

>  <Catalog Number> (1,582)
S4605

>  <Synonyms> (1,582)
Folacin, Vitamin B9, Vitamin M, Pteroylglutamic acid, Folate

>  <Target> (1,582)
Vitamin

>  <Form> (1,582)
Free Base

>  <URL> (1,582)
http://www.selleckchem.com/products/folic-acid.html

>  <CAS Number> (1,582)
59-30-3

$$$$
S4604 Levofloxacin hydrate.cdx
csChFnd80/07171813002D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    7.1805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    8.3929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2000    9.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    8.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    7.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.7556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    4.7556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.3307    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    3.5432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 18  1  0  0  0  0
 11 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  2  0  0  0  0
 22 25  1  0  0  0  0
  5 25  1  0  0  0  0
 10 25  2  0  0  0  0
  2 26  1  0  0  0  0
A   27
0.5H2O
M  END
>  <Mol_ID> (1,583)
2867

>  <Formula> (1,583)
C18H20FN3O4R

>  <MolWeight> (1,583)
361.3675032

>  <Item Name> (1,583)
Levofloxacin hydrate

>  <Catalog Number> (1,583)
S4604

>  <Synonyms> (1,583)
Levofloxacin hemihydrate, Levaquin hydrate, Tavanic hydrate, Quixin hydrate, Iquix hydrate, 

>  <Target> (1,583)
Topoisomerase

>  <Form> (1,583)
hydrate

>  <URL> (1,583)
http://www.selleckchem.com/products/levofloxacin-hydrate.html

>  <CAS Number> (1,583)
138199-71-0

$$$$
S4603 Gallic acid.cdx
csChFnd80/07171813002D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,584)
2868

>  <Formula> (1,584)
C7H6O5

>  <MolWeight> (1,584)
170.11954

>  <Item Name> (1,584)
Gallic acid

>  <Catalog Number> (1,584)
S4603

>  <Synonyms> (1,584)
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid

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ROS

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C19H18N2O4S

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Parecoxib

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S4656

>  <Synonyms> (1,589)
SC-69124, Valus-P, Vorth-P

>  <Target> (1,589)
COX

>  <Form> (1,589)
Free Base

>  <URL> (1,589)
http://www.selleckchem.com/products/parecoxib.html

>  <CAS Number> (1,589)
198470-84-7

$$$$
S4653 L-Ornithine.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,590)
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>  <Formula> (1,590)
C5H12N2O2

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L-Ornithine

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S4653

>  <Synonyms> (1,590)
(S)-2,5-Diaminopentanoic acid

>  <Target> (1,590)
Others

>  <Form> (1,590)
Free Base

>  <URL> (1,590)
http://www.selleckchem.com/products/l-ornithine.html

>  <CAS Number> (1,590)
70-26-8

$$$$
S4652 Sulisobenzone.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,591)
2877

>  <Formula> (1,591)
C14H12O6S

>  <MolWeight> (1,591)
308.30648

>  <Item Name> (1,591)
Sulisobenzone

>  <Catalog Number> (1,591)
S4652

>  <Synonyms> (1,591)
Benzophenone-4, Sungard

>  <Target> (1,591)
Others

>  <Form> (1,591)
Free Base

>  <URL> (1,591)
http://www.selleckchem.com/products/sulisobenzone.html

>  <CAS Number> (1,591)
4065-45-6

$$$$
S4647 Cefmenoxime hydrochloride.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,592)
2878

>  <Formula> (1,592)
C32H35ClN18O10S6

>  <MolWeight> (1,592)
1059.5779

>  <Item Name> (1,592)
Cefmenoxime hydrochloride

>  <Catalog Number> (1,592)
S4647

>  <Synonyms> (1,592)
Cefmenoxime hemihydrochloride, SCE-1365 hemihydrochloride

>  <Target> (1,592)
Antifection

>  <Form> (1,592)
hydrochloride

>  <URL> (1,592)
http://www.selleckchem.com/products/cefmenoxime-hydrochloride.html

>  <CAS Number> (1,592)
75738-58-8

$$$$
S4588 Docusate (Sodium).cdx
csChFnd80/07171813002D

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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
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   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
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   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6669    0.0281    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  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
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  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
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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> (1,593)
2879

>  <Formula> (1,593)
C20H37NaO7S

>  <MolWeight> (1,593)
444.55835

>  <Item Name> (1,593)
Docusate Sodium

>  <Catalog Number> (1,593)
S4588

>  <Synonyms> (1,593)
Aerosol OT, Bis(2-ethylhexyl) sulfosuccinate sodium salt, Constonate

>  <Target> (1,593)
Opioid Receptor

>  <Form> (1,593)
sodium salt

>  <URL> (1,593)
http://www.selleckchem.com/products/docusate-sodium.html

>  <CAS Number> (1,593)
577-11-7

$$$$
FOMEPIZOLE (fomepizole).cdx
csChFnd80/07171813002D

  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> (1,594)
2880

>  <Formula> (1,594)
C4H6N2

>  <MolWeight> (1,594)
82.10384

>  <Item Name> (1,594)
Fomepizole (Antizol)

>  <Catalog Number> (1,594)
S1717

>  <Synonyms> (1,594)
4-methylpyrazole, Antizol, Antizol-Vet

>  <Target> (1,594)
5-alpha Reductase

>  <Form> (1,594)
Free Base

>  <URL> (1,594)
http://www.selleckchem.com/products/Fomepizole(Antizol).html

>  <CAS Number> (1,594)
7554-65-6

$$$$
S4657 Eslicarbazepine Acetate.cdx
csChFnd80/07171813002D

 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
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    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
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    7.5459    2.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  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
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 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> (1,595)
2881

>  <Formula> (1,595)
C17H16N2O3

>  <MolWeight> (1,595)
296.32054

>  <Item Name> (1,595)
Eslicarbazepine Acetate

>  <Catalog Number> (1,595)
S4657

>  <Synonyms> (1,595)
BIA 2093, Zebinix, Exalief, Stedesa, Aptiom

>  <Target> (1,595)
Others

>  <Form> (1,595)
Free Base

>  <URL> (1,595)
http://www.selleckchem.com/products/eslicarbazepine-acetate.html

>  <CAS Number> (1,595)
236395-14-5

$$$$
S4641 Tedizolid Phosphate.cdx
csChFnd80/07171813002D

 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
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    5.3871    1.5539    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
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  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
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 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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 18 19  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> (1,596)
2888

>  <Formula> (1,596)
C17H16FN6O6P

>  <MolWeight> (1,596)
450.3177042

>  <Item Name> (1,596)
Tedizolid Phosphate

>  <Catalog Number> (1,596)
S4641

>  <Synonyms> (1,596)
TR-701FA

>  <Target> (1,596)
Antifection

>  <Form> (1,596)
Free Base

>  <URL> (1,596)
http://www.selleckchem.com/products/tedizolid-phosphate.html

>  <CAS Number> (1,596)
856867-55-5

$$$$
S4634 SULFADIAZINE SODIUM.cdx
csChFnd80/07171813002D

 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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    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
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  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,597)
2889

>  <Formula> (1,597)
C10H9N4NaO2S

>  <MolWeight> (1,597)
272.25883

>  <Item Name> (1,597)
Sodium sulfadiazine

>  <Catalog Number> (1,597)
S4634

>  <Synonyms> (1,597)
Sulfadiazin-natrium

>  <Target> (1,597)
Antifection

>  <Form> (1,597)
Sodium salt

>  <URL> (1,597)
http://www.selleckchem.com/products/sodium-sulfadiazine.html

>  <CAS Number> (1,597)
547-32-0

$$$$
S4606 Glutathione.cdx
csChFnd80/07171813002D

 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
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    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    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
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 14 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,598)
2891

>  <Formula> (1,598)
C10H17N3O6S

>  <MolWeight> (1,598)
307.32348

>  <Item Name> (1,598)
Glutathione

>  <Catalog Number> (1,598)
S4606

>  <Synonyms> (1,598)
Isethion, Glutathion, Tathion

>  <Target> (1,598)
Others

>  <Form> (1,598)
Free Base

>  <URL> (1,598)
http://www.selleckchem.com/products/glutathione.html

>  <CAS Number> (1,598)
70-18-8

$$$$
Triclosan.cdx
csChFnd80/07171813002D

 17 18  0  0  0  0  0  0  0  0999 V2000
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3380-34-5

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331001-62-8

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csChFnd80/07171813002D

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http://www.selleckchem.com/products/5-iodotubercidin.html

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24386-93-4

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RS-1.cdx
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312756-74-4

$$$$
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csChFnd80/07171813002D

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   12.3042    8.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2373    7.5199    0.0000 O   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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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,604)
2898

>  <Formula> (1,604)
C24H34O5

>  <MolWeight> (1,604)
402.52376

>  <Item Name> (1,604)
Dehydrocholic acid

>  <Catalog Number> (1,604)
S4562

>  <Synonyms> (1,604)
Decholin, Dehystolin, Felacrinos, Sanocholen

>  <Target> (1,604)
Others

>  <Form> (1,604)
Free Base

>  <URL> (1,604)
http://www.selleckchem.com/products/dehydrocholic-acid.html

>  <CAS Number> (1,604)
81-23-2

$$$$
S4550 Azelaic acid.cdx
csChFnd80/07171813002D

 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
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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
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    8.4870    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> (1,605)
2899

>  <Formula> (1,605)
C9H16O4

>  <MolWeight> (1,605)
188.22094

>  <Item Name> (1,605)
Azelaic acid

>  <Catalog Number> (1,605)
S4550

>  <Synonyms> (1,605)
Nonanedioic acid, Finacea, Azelex, Anchoic acid

>  <Target> (1,605)
Antifection

>  <Form> (1,605)
Free Base

>  <URL> (1,605)
http://www.selleckchem.com/products/azelaic-acid.html

>  <CAS Number> (1,605)
123-99-9

$$$$
S4607 2,2¡ä-Dihydroxy-4-methoxybenzophenone.cdx
csChFnd80/07171813002D

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  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,606)
2900

>  <Formula> (1,606)
C14H12O4

>  <MolWeight> (1,606)
244.24268

>  <Item Name> (1,606)
2,2¡ä-Dihydroxy-4-methoxybenzophenone

>  <Catalog Number> (1,606)
S4607

>  <Synonyms> (1,606)
Dioxybenzone, Dioxybenzon, Advastab 47, Cyasorb UV 24, Benzophenone-8

>  <Target> (1,606)
Others

>  <Form> (1,606)
Free Base

>  <URL> (1,606)
http://www.selleckchem.com/products/2-2-dihydroxy-4-methoxybenzophenone.html

>  <CAS Number> (1,606)
131-53-3

$$$$
S4674 Hydroxyprogesterone caproate.cdx
csChFnd80/07171813002D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,607)
2904

>  <Formula> (1,607)
C27H40O4

>  <MolWeight> (1,607)
428.6041

>  <Item Name> (1,607)
Hydroxyprogesterone caproate

>  <Catalog Number> (1,607)
S4674

>  <Synonyms> (1,607)
17¦Á-Hydroxyprogesterone hexanoate, 17¦Á-Hydroxyprogesterone caproate

>  <Target> (1,607)
Estrogen/progestogen Receptor

>  <Form> (1,607)
Free Base

>  <URL> (1,607)
http://www.selleckchem.com/products/hydroxyprogesterone-caproate.html

>  <CAS Number> (1,607)
630-56-8

$$$$
S4684 Sildenafil.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,608)
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>  <Formula> (1,608)
C22H30N6O4S

>  <MolWeight> (1,608)
474.5764

>  <Item Name> (1,608)
Sildenafil

>  <Catalog Number> (1,608)
S4684

>  <Synonyms> (1,608)
Revatio, UK-92480, Viagra

>  <Target> (1,608)
PDE

>  <Form> (1,608)
Free Base

>  <URL> (1,608)
http://www.selleckchem.com/products/sildenafil.html

>  <CAS Number> (1,608)
139755-83-2

$$$$
S4683 Sildenafil Mesylate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,609)
2906

>  <Formula> (1,609)
C23H34N6O7S2

>  <MolWeight> (1,609)
570.68206

>  <Item Name> (1,609)
Sildenafil Mesylate

>  <Catalog Number> (1,609)
S4683

>  <Synonyms> (1,609)
N/A

>  <Target> (1,609)
PDE

>  <Form> (1,609)
Mesylate

>  <URL> (1,609)
http://www.selleckchem.com/products/sildenafil-mesylate.html

>  <CAS Number> (1,609)
1308285-21-3

$$$$
S4693 Guanfacine Hydrochloride.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,610)
2908

>  <Formula> (1,610)
C9H10Cl3N3O

>  <MolWeight> (1,610)
282.5542

>  <Item Name> (1,610)
Guanfacine Hydrochloride

>  <Catalog Number> (1,610)
S4693

>  <Synonyms> (1,610)
Guanfacine Hydrochloride, Guanfacine, Tenex, Intuniv

>  <Target> (1,610)
5-HT Receptor

>  <Form> (1,610)
hydrochloride

>  <URL> (1,610)
http://www.selleckchem.com/products/guanfacine-hydrochloride.html

>  <CAS Number> (1,610)
29110-48-3

$$$$
S4691 Oxybenzone.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,611)
2909

>  <Formula> (1,611)
C14H12O3

>  <MolWeight> (1,611)
228.24328

>  <Item Name> (1,611)
Oxybenzone

>  <Catalog Number> (1,611)
S4691

>  <Synonyms> (1,611)
Oxybenzone, Eusolex 4360, Escalol 567, KAHSCREEN BZ-3, Benzophenone 3

>  <Target> (1,611)
Others

>  <Form> (1,611)
Free Base

>  <URL> (1,611)
http://www.selleckchem.com/products/oxybenzone.html

>  <CAS Number> (1,611)
131-57-7

$$$$
S4666 Sivelestat sodium.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,612)
2910

>  <Formula> (1,612)
C20H29N2NaO11S

>  <MolWeight> (1,612)
528.50583

>  <Item Name> (1,612)
Sivelestat sodium tetrahydrate

>  <Catalog Number> (1,612)
S4666

>  <Synonyms> (1,612)
Sivelestat sodium, ONO5046-Na, Sodium sivelestat, EI546 sodium, LY544349 sodium

>  <Target> (1,612)
Serine Protease

>  <Form> (1,612)
Sodium salt tetrahydrate

>  <URL> (1,612)
http://www.selleckchem.com/products/sivelestat-sodium.html

>  <CAS Number> (1,612)
201677-61-4

$$$$
S4664 Molsidomine.cdx
csChFnd80/07171813002D

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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  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> (1,613)
2911

>  <Formula> (1,613)
C9H14N4O4

>  <MolWeight> (1,613)
242.23186

>  <Item Name> (1,613)
Molsidomine

>  <Catalog Number> (1,613)
S4664

>  <Synonyms> (1,613)
SIN-10, Corvaton, Morsydomine

>  <Target> (1,613)
Others

>  <Form> (1,613)
inner salt

>  <URL> (1,613)
http://www.selleckchem.com/products/molsidomine.html

>  <CAS Number> (1,613)
25717-80-0

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/07171813002D

 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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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
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  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 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> (1,614)
2915

>  <Formula> (1,614)
C20H26N2O2

>  <MolWeight> (1,614)
326.43264

>  <Item Name> (1,614)
Hydroquinidine

>  <Catalog Number> (1,614)
S4658

>  <Synonyms> (1,614)
Dihydroquinidine, Hydroconchinine, Hydroconquinine, Dihydroquinine

>  <Target> (1,614)
Others

>  <Form> (1,614)
Free Base

>  <URL> (1,614)
http://www.selleckchem.com/products/hydroquinidine.html

>  <CAS Number> (1,614)
1435-55-8

$$$$
S4651 Etoricoxib.cdx
csChFnd80/07171813002D

 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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  9  1  2  0  0  0  0
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 21  1  1  0  0  0  0
  2  4  1  0  0  0  0
  3  2  2  0  0  0  0
  5  2  1  0  0  0  0
 18  3  1  0  0  0  0
  4  8  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 15  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
  7 12  1  0  0  0  0
 19  7  2  0  0  0  0
  8 16  1  0  0  0  0
 17  8  2  0  0  0  0
 20 11  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 22 15  2  0  0  0  0
 20 18  2  0  0  0  0
 24 19  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,615)
2918

>  <Formula> (1,615)
C18H15ClN2O2S

>  <MolWeight> (1,615)
358.8419

>  <Item Name> (1,615)
Etoricoxib

>  <Catalog Number> (1,615)
S4651

>  <Synonyms> (1,615)
Arcoxia, MK-663, MK-0663, Tauxib, Algix, Nucoxia

>  <Target> (1,615)
COX

>  <Form> (1,615)
Free  Base

>  <URL> (1,615)
http://www.selleckchem.com/products/etoricoxib.html

>  <CAS Number> (1,615)
202409-33-4

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/07171813002D

 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
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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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 10 15  1  0  0  0  0
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 20 24  1  6  0  0  0
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M  END
>  <Mol_ID> (1,616)
2919

>  <Formula> (1,616)
C20H26N2O2

>  <MolWeight> (1,616)
326.43264

>  <Item Name> (1,616)
Dantrolene sodium hemiheptahydrate

>  <Catalog Number> (1,616)
S4648

>  <Synonyms> (1,616)
Dantrolene sodium salt, Dantrium, Sodium dantrolene

>  <Target> (1,616)
Calcium Channel

>  <Form> (1,616)
Sodium salt hemiheptahydrate

>  <URL> (1,616)
http://www.selleckchem.com/products/dantrolene-sodium.html

>  <CAS Number> (1,616)
24868-20-0

$$$$
S4646 Ciclesonide.cdx
csChFnd80/07171813002D

 43 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,617)
2920

>  <Formula> (1,617)
C32H44O7

>  <MolWeight> (1,617)
540.68756

>  <Item Name> (1,617)
Ciclesonide

>  <Catalog Number> (1,617)
S4646

>  <Synonyms> (1,617)
Ciclesonide, Alvesco, Omnaris, RPR251526, Zetonna

>  <Target> (1,617)
Others

>  <Form> (1,617)
Free Base

>  <URL> (1,617)
http://www.selleckchem.com/products/ciclesonide.html

>  <CAS Number> (1,617)
126544-47-6

$$$$
S4637 Prasugrel Hydrochloride.cdx
csChFnd80/07171813002D

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 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,618)
2921

>  <Formula> (1,618)
C20H21ClFNO3S

>  <MolWeight> (1,618)
409.9020432

>  <Item Name> (1,618)
Prasugrel Hydrochloride

>  <Catalog Number> (1,618)
S4637

>  <Synonyms> (1,618)
Prasugrel HCl, LY 640315

>  <Target> (1,618)
P2 Receptor

>  <Form> (1,618)
hydrochloride

>  <URL> (1,618)
http://www.selleckchem.com/products/prasugrel-hydrochloride.html

>  <CAS Number> (1,618)
389574-19-0

$$$$
s4515 Ademetionine Ademetionine disulfate tosylate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,619)
2922

>  <Formula> (1,619)
C22H34N6O16S4

>  <MolWeight> (1,619)
766.79596

>  <Item Name> (1,619)
Ademetionine disulfate tosylate 

>  <Catalog Number> (1,619)
S4515

>  <Synonyms> (1,619)
N/A

>  <Target> (1,619)
Others

>  <Form> (1,619)
Disulfate tosylate

>  <URL> (1,619)
http://www.selleckchem.com/products/ademetionine-disulfate-tosylate.html

>  <CAS Number> (1,619)
97540-22-2

$$$$
S4695 D panthenol.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,620)
2923

>  <Formula> (1,620)
C9H19NO4

>  <MolWeight> (1,620)
205.25146

>  <Item Name> (1,620)
D panthenol

>  <Catalog Number> (1,620)
S4695

>  <Synonyms> (1,620)
Dexpanthenol, D-Panthenol, Pantothenol, Ilopan, D-Pantothenyl alcohol

>  <Target> (1,620)
Vitamin

>  <Form> (1,620)
Free Base

>  <URL> (1,620)
http://www.selleckchem.com/products/d-panthenol.html

>  <CAS Number> (1,620)
81-13-0

$$$$
S4682 Loxoprofen.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,621)
2924

>  <Formula> (1,621)
C15H18O3

>  <MolWeight> (1,621)
246.30162

>  <Item Name> (1,621)
Loxoprofen

>  <Catalog Number> (1,621)
S4682

>  <Synonyms> (1,621)
Koloxo, Loxoprofene, Loxoprofeno

>  <Target> (1,621)
COX

>  <Form> (1,621)
Free Base

>  <URL> (1,621)
http://www.selleckchem.com/products/loxoprofen.html

>  <CAS Number> (1,621)
68767-14-6

$$$$
S4680 Protirelin.cdx
csChFnd80/07171813002D

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    8.6042    7.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7368    5.7849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    3.5544    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8205    5.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9736    8.0378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6736    6.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    2.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.1238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    1.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 18 15  1  6  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 20 21  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,622)
2926

>  <Formula> (1,622)
C16H22N6O4

>  <MolWeight> (1,622)
362.38368

>  <Item Name> (1,622)
Protirelin

>  <Catalog Number> (1,622)
S4680

>  <Synonyms> (1,622)
Thyroliberin, Lopremone, Synthetic TRH, Thyrotropin-releasing hormone, Rifathyroin

>  <Target> (1,622)
Others

>  <Form> (1,622)
Free Base

>  <URL> (1,622)
http://www.selleckchem.com/products/protirelin.html

>  <CAS Number> (1,622)
24305-27-9

$$$$
S4665 Rebeprazole sodium.cdx
csChFnd80/07171813002D

 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> (1,623)
2927

>  <Formula> (1,623)
C18H20N3NaO3S

>  <MolWeight> (1,623)
381.42447

>  <Item Name> (1,623)
Rebeprazole sodium

>  <Catalog Number> (1,623)
S4665

>  <Synonyms> (1,623)
Aciphex Sodium, Dexrabeprazole Sodium, Habeprazole Sodium

>  <Target> (1,623)
Proton Pump

>  <Form> (1,623)
sodium salt

>  <URL> (1,623)
http://www.selleckchem.com/products/rebeprazole-sodium.html

>  <CAS Number> (1,623)
117976-90-6

$$$$
S4663 Fusidate Sodium.cdx
csChFnd80/07171813002D

 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> (1,624)
2928

>  <Formula> (1,624)
C31H47NaO6

>  <MolWeight> (1,624)
538.69105

>  <Item Name> (1,624)
Fusidate Sodium

>  <Catalog Number> (1,624)
S4663

>  <Synonyms> (1,624)
Fucidin, Sodium fusidate, SQ-16360

>  <Target> (1,624)
Antifection

>  <Form> (1,624)
sodium salt

>  <URL> (1,624)
http://www.selleckchem.com/products/fusidate-sodium.html

>  <CAS Number> (1,624)
751-94-0

$$$$
S4601 5-Chloro-8-hydroxy-7-iodoquinoline.cdx
csChFnd80/07171813002D

 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> (1,625)
2929

>  <Formula> (1,625)
C9H5ClINO

>  <MolWeight> (1,625)
305.49957

>  <Item Name> (1,625)
Clioquinol

>  <Catalog Number> (1,625)
S4601

>  <Synonyms> (1,625)
Clioquinol, Iodochlorhydroxyquin, Chinoform

>  <Target> (1,625)
Antifection

>  <Form> (1,625)
Free Base

>  <URL> (1,625)
http://www.selleckchem.com/products/5-chloro-8-hydroxy-7-iodoquinoline.html

>  <CAS Number> (1,625)
130-26-7

$$$$
S4685 Efavirenz.cdx
csChFnd80/07171813002D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.5961    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9498    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7496    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0499    2.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    1.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.3961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5961    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6772    2.6238    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6495    2.4512    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    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> (1,626)
2930

>  <Formula> (1,626)
C14H9ClF3NO2

>  <MolWeight> (1,626)
315.6749696

>  <Item Name> (1,626)
Efavirenz

>  <Catalog Number> (1,626)
S4685

>  <Synonyms> (1,626)
Sustiva, Stocrin, DMP-266, DMP 266

>  <Target> (1,626)
Reverse Transcriptase

>  <Form> (1,626)
Free Base

>  <URL> (1,626)
http://www.selleckchem.com/products/efavirenz.html

>  <CAS Number> (1,626)
154598-52-4

$$$$
TRx0237 (LMTX).cdx
csChFnd80/07171813002D

 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
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 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,627)
2931

>  <Formula> (1,627)
C18H27N3O6S3

>  <MolWeight> (1,627)
477.61848

>  <Item Name> (1,627)
TRx0237 (LMTX) mesylate

>  <Catalog Number> (1,627)
S7762

>  <Synonyms> (1,627)
N/A

>  <Target> (1,627)
Microtubule Associated

>  <Form> (1,627)
Dimesylate

>  <URL> (1,627)
http://www.selleckchem.com/products/trx0237-lmtx.html

>  <CAS Number> (1,627)
1236208-20-0

$$$$
S4696 ArbinoxaMine Maleate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,628)
2932

>  <Formula> (1,628)
C20H23ClN2O5

>  <MolWeight> (1,628)
406.86002

>  <Item Name> (1,628)
arbinoxaMine Maleate

>  <Catalog Number> (1,628)
S4696

>  <Synonyms> (1,628)
N/A

>  <Target> (1,628)
Histamine Receptor

>  <Form> (1,628)
maleate

>  <URL> (1,628)
http://www.selleckchem.com/products/arbinoxamine-maleate.html

>  <CAS Number> (1,628)
3505-38-2

$$$$
S4669 Benzocaine hydrochloride.cdx
csChFnd80/07171813002D

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7722    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
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M  END
>  <Mol_ID> (1,629)
2934

>  <Formula> (1,629)
C9H12ClNO2

>  <MolWeight> (1,629)
201.65008

>  <Item Name> (1,629)
Benzocaine hydrochloride

>  <Catalog Number> (1,629)
S4669

>  <Synonyms> (1,629)
Ethyl 4-aminobenzoate hydrochloride, Benzocaine HCl, Ethyl p-aminobenzoate hydrochloride

>  <Target> (1,629)
Sodium Channel

>  <Form> (1,629)
hydrochloride

>  <URL> (1,629)
http://www.selleckchem.com/products/benzocaine-hydrochloride.html

>  <CAS Number> (1,629)
23239-88-5

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/07171813002D

 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
    0.0000    2.8729    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> (1,630)
2936

>  <Formula> (1,630)
C14H23ClN2O

>  <MolWeight> (1,630)
270.79822

>  <Item Name> (1,630)
Lidocaine hydrochloride

>  <Catalog Number> (1,630)
S4667

>  <Synonyms> (1,630)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (1,630)
Others

>  <Form> (1,630)
hydrochloride

>  <URL> (1,630)
http://www.selleckchem.com/products/lidocaine-hydrochloride.html

>  <CAS Number> (1,630)
73-78-9

$$$$
XENAZINE (tetrabenazine).cdx
csChFnd80/07171813002D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,631)
2937

>  <Formula> (1,631)
C19H27NO3

>  <MolWeight> (1,631)
317.42258

>  <Item Name> (1,631)
Tetrabenazine (Nitoman, Xenazine)

>  <Catalog Number> (1,631)
S1789

>  <Synonyms> (1,631)
N/A

>  <Target> (1,631)
5-alpha Reductase

>  <Form> (1,631)
Free Base

>  <URL> (1,631)
http://www.selleckchem.com/products/Tetrabenazine(Nitoman).html

>  <CAS Number> (1,631)
58-46-8

$$$$
S4690 Vitamin E.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,632)
2938

>  <Formula> (1,632)
C29H50O2

>  <MolWeight> (1,632)
430.7061

>  <Item Name> (1,632)
Vitamin E

>  <Catalog Number> (1,632)
S4686

>  <Synonyms> (1,632)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (1,632)
COX,VEGFR

>  <Form> (1,632)
Free Base

>  <URL> (1,632)
http://www.selleckchem.com/products/vitamin-e.html

>  <CAS Number> (1,632)
59-02-9

$$$$
S4689 Deoxycholic acid.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,633)
2939

>  <Formula> (1,633)
C24H40O4

>  <MolWeight> (1,633)
392.572

>  <Item Name> (1,633)
Deoxycholic acid

>  <Catalog Number> (1,633)
S4689

>  <Synonyms> (1,633)
Deoxycholate, Desoxycholic acid, Cholerebic, Cholorebic

>  <Target> (1,633)
Others

>  <Form> (1,633)
Free Base

>  <URL> (1,633)
http://www.selleckchem.com/products/deoxycholic-acid.html

>  <CAS Number> (1,633)
83-44-3

$$$$
Z-IETD-FMK.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,634)
2940

>  <Formula> (1,634)
C32H44F4N4O13

>  <MolWeight> (1,634)
768.7043728

>  <Item Name> (1,634)
Z-IETD-FMK

>  <Catalog Number> (1,634)
S7314

>  <Synonyms> (1,634)
Caspase-8 Inhibitor

>  <Target> (1,634)
Caspase

>  <Form> (1,634)
trifluoroacetat

>  <URL> (1,634)
http://www.selleckchem.com/products/z-ietd-fmk.html

>  <CAS Number> (1,634)
210344-98-2

$$$$
S4697 Saxagliptin hydrate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,635)
2941

>  <Formula> (1,635)
C18H27N3O3

>  <MolWeight> (1,635)
333.42528

>  <Item Name> (1,635)
Saxagliptin hydrate 

>  <Catalog Number> (1,635)
S4697

>  <Synonyms> (1,635)
BMS-477118 hydrate, Onglyza hydrate, BMS 477118 hydrate, BMS477118 hydrate

>  <Target> (1,635)
DPP-4

>  <Form> (1,635)
hydrate

>  <URL> (1,635)
http://www.selleckchem.com/products/saxagliptin-hydrate.html

>  <CAS Number> (1,635)
945667-22-1

$$$$
S4636 Teneligliptin hydrobromide.cdx
csChFnd80/07171813002D

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A   31
2.5HBr
M  END
>  <Mol_ID> (1,636)
2942

>  <Formula> (1,636)
C22H30N6ORS

>  <MolWeight> (1,636)
426.5782

>  <Item Name> (1,636)
Teneligliptin hydrobromide

>  <Catalog Number> (1,636)
S4636

>  <Synonyms> (1,636)
Teneligliptin hydrobromide anhydrous

>  <Target> (1,636)
DPP-4

>  <Form> (1,636)
hydrobromide

>  <URL> (1,636)
http://www.selleckchem.com/products/teneligliptin-hydrobromide.html

>  <CAS Number> (1,636)
906093-29-6

$$$$
S4671 Cefradine.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,637)
2943

>  <Formula> (1,637)
C16H19N3O4S

>  <MolWeight> (1,637)
349.40476

>  <Item Name> (1,637)
Cefradine

>  <Catalog Number> (1,637)
S4671

>  <Synonyms> (1,637)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (1,637)
Antifection

>  <Form> (1,637)
Free Base

>  <URL> (1,637)
http://www.selleckchem.com/products/cefradine.html

>  <CAS Number> (1,637)
38821-53-3

$$$$
CCF642.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,638)
2944

>  <Formula> (1,638)
C15H10N2O4S3

>  <MolWeight> (1,638)
378.4459

>  <Item Name> (1,638)
CCF642

>  <Catalog Number> (1,638)
S8281

>  <Synonyms> (1,638)
AC1LYELL

>  <Target> (1,638)
Thioredoxin

>  <Form> (1,638)
Free Base

>  <URL> (1,638)
http://www.selleckchem.com/products/ccf642.html

>  <CAS Number> (1,638)
346640-08-2

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/07171813002D

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 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,639)
2945

>  <Formula> (1,639)
C26H27F4N3O7

>  <MolWeight> (1,639)
569.5020928

>  <Item Name> (1,639)
Emricasan (IDN-6556, PF-03491390)

>  <Catalog Number> (1,639)
S7775

>  <Synonyms> (1,639)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (1,639)
Caspase

>  <Form> (1,639)
Free Base

>  <URL> (1,639)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

>  <CAS Number> (1,639)
254750-02-2

$$$$
Atazanavir.cdx
csChFnd80/07171813002D

 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> (1,640)
2946

>  <Formula> (1,640)
C38H52N6O7

>  <MolWeight> (1,640)
704.85548

>  <Item Name> (1,640)
Atazanavir

>  <Catalog Number> (1,640)
S4662

>  <Synonyms> (1,640)
Latazanavir, Zrivada, Reyataz, BMS-232632

>  <Target> (1,640)
HIV Protease

>  <Form> (1,640)
Free Base

>  <URL> (1,640)
http://www.selleckchem.com/products/atazanavir-reyataz.html

>  <CAS Number> (1,640)
198904-31-3

$$$$
Kanamycin sulfate.cdx
csChFnd80/07171813002D

 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> (1,641)
2947

>  <Formula> (1,641)
C18H38N4O15S

>  <MolWeight> (1,641)
582.57712

>  <Item Name> (1,641)
Kanamycin sulfate

>  <Catalog Number> (1,641)
S2315

>  <Synonyms> (1,641)
Kanamycin monosulfate

>  <Target> (1,641)
Antifection

>  <Form> (1,641)
sulfate

>  <URL> (1,641)
http://www.selleckchem.com/products/Kanamycin-sulfate(Kantrex).html

>  <CAS Number> (1,641)
25389-94-0

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/07171813002D

 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> (1,642)
2948

>  <Formula> (1,642)
C15H10O4

>  <MolWeight> (1,642)
254.2375

>  <Item Name> (1,642)
7,8-Dihydroxyflavone

>  <Catalog Number> (1,642)
S8319

>  <Synonyms> (1,642)
7,8-DHF

>  <Target> (1,642)
Trk receptor

>  <Form> (1,642)
Free Base

>  <URL> (1,642)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

>  <CAS Number> (1,642)
38183-03-8

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/07171813002D

 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
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>  <Mol_ID> (1,643)
2949

>  <Formula> (1,643)
C26H28N4O4S

>  <MolWeight> (1,643)
492.58992

>  <Item Name> (1,643)
MK-4827(Niraparib) tosylate

>  <Catalog Number> (1,643)
S7625

>  <Synonyms> (1,643)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (1,643)
PARP

>  <Form> (1,643)
4-?methylbenzen

>  <URL> (1,643)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

>  <CAS Number> (1,643)
1038915-73-9

$$$$
Polymyxin B sulphate.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,644)
2950

>  <Formula> (1,644)
C56H100N16O17S

>  <MolWeight> (1,644)
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>  <Item Name> (1,644)
Polymyxin B sulphate

>  <Catalog Number> (1,644)
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>  <Synonyms> (1,644)
Aerosporin, PMB, Poly-RX

>  <Target> (1,644)
Antifection

>  <Form> (1,644)
sulfate

>  <URL> (1,644)
http://www.selleckchem.com/products/Polymyxin-B-sulphate.html

>  <CAS Number> (1,644)
1405-20-5, 4135-11-9 (free base)

$$$$
ITSA-1 (ITSA1).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,645)
2951

>  <Formula> (1,645)
C13H7Cl2N3O

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292.12018

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ITSA-1 (ITSA1)

>  <Catalog Number> (1,645)
S8323

>  <Synonyms> (1,645)
N/A

>  <Target> (1,645)
HDAC

>  <Form> (1,645)
Free Base

>  <URL> (1,645)
http://www.selleckchem.com/products/itsa-1-itsa1.html

>  <CAS Number> (1,645)
200626-61-5

$$$$
MLR-1023.cdx
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Caspase

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1448428-04-3

$$$$
Rivastigmine.cdx
csChFnd80/07171813002D

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AChR

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123441-03-2

$$$$
Epoxomicin.cdx
csChFnd80/07171813002D

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N/A

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Proteasome

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Free Base

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http://www.selleckchem.com/products/epoxomicin-bu-4061t.html

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134381-21-8

$$$$
Tazobactam.cdx
csChFnd80/07171813002D

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2962

>  <Formula> (1,653)
C10H12N4O5S

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Tazobactam

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S3077

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N/A

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Antifection

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>  <URL> (1,653)
http://www.selleckchem.com/products/tazobactam.html

>  <CAS Number> (1,653)
89786-04-9, 89785-84-2 (sodium salt)

$$$$
S4673 Etonogestrel.cdx
csChFnd80/07171813002D

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>  <Formula> (1,654)
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Implanon, Nexplanon, 3-Oxodesogestrel, 3-keto-Desogestrel

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Estrogen/progestogen Receptor

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>  <URL> (1,654)
http://www.selleckchem.com/products/etonogestrel.html

>  <CAS Number> (1,654)
54048-10-1

$$$$
S4686 Escin.cdx
csChFnd80/07171813002D

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hydrochloride

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1232030-35-1

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sodium salt

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56932-43-5

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Free Base

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148-82-3

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hydrochloride

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http://www.selleckchem.com/products/sis3.html

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521984-48-5

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>  <Item Name> (1,667)
VO-Ohpic trihydrate

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S8174

>  <Synonyms> (1,667)
N/A

>  <Target> (1,667)
Others

>  <Form> (1,667)
trihydrate

>  <URL> (1,667)
http://www.selleckchem.com/products/vo-ohpic.html

>  <CAS Number> (1,667)
476310-60-8

$$$$
S4716 Evans Blue.cdx
csChFnd80/07171813002D

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>  <Formula> (1,668)
C34H24N6Na4O14S4

>  <MolWeight> (1,668)
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>  <Item Name> (1,668)
Evans Blue

>  <Catalog Number> (1,668)
S4716

>  <Synonyms> (1,668)
Direct Blue 53

>  <Target> (1,668)
GluR

>  <Form> (1,668)
sodium salt

>  <URL> (1,668)
http://www.selleckchem.com/products/evans-blue.html

>  <CAS Number> (1,668)
314-13-6

$$$$
S4711 Esculetin.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,669)
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>  <Formula> (1,669)
C9H6O4

>  <MolWeight> (1,669)
178.14154

>  <Item Name> (1,669)
Esculetin

>  <Catalog Number> (1,669)
S4711

>  <Synonyms> (1,669)
Cichorigenin|Aesculetin

>  <Target> (1,669)
Others

>  <Form> (1,669)
Free Base

>  <URL> (1,669)
http://www.selleckchem.com/products/esculetin.html

>  <CAS Number> (1,669)
305-01-1

$$$$
S4728 3,3'-Diindolylmethane.cdx
csChFnd80/07171813002D

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>  <Formula> (1,670)
C17H14N2

>  <MolWeight> (1,670)
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>  <Item Name> (1,670)
3,3'-Diindolylmethane

>  <Catalog Number> (1,670)
S4728

>  <Synonyms> (1,670)
DIM

>  <Target> (1,670)
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>  <Form> (1,670)
Free Base

>  <URL> (1,670)
http://www.selleckchem.com/products/3-3-diindolylmethane.html

>  <CAS Number> (1,670)
1968-05-4

$$$$
S4717 Isatin.cdx
csChFnd80/07171813002D

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Free Base

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91-56-5

$$$$
S4715 Benzamide.cdx
csChFnd80/07171813002D

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csChFnd80/07171813002D

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1883429-22-8

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517-89-5

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csChFnd80/07171813002D

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Carbonic Anhydrase

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Free Base

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

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98-10-2

$$$$
AZD8835.cdx
csChFnd80/07171813002D

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PI3K

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http://www.selleckchem.com/products/azd8835.html

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1620576-64-8

$$$$
Necrosulfonamide.cdx
csChFnd80/07171813002D

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>  <Target> (1,679)
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Free Base

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

>  <CAS Number> (1,679)
1360614-48-7

$$$$
BAY-61-3606.cdx
csChFnd80/07171813002D

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Syk

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dihydrochloride

>  <URL> (1,680)
http://www.selleckchem.com/products/bay-61-3606.html

>  <CAS Number> (1,680)
648903-57-5

$$$$
RK-33.cdx
csChFnd80/07171813002D

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hydrochloride

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   10.8321    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8321    4.6870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3896    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2632    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7590    2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  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
 34 35  1  0  0  0  0
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 38 34  1  0  0  0  0
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 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 38  1  0  0  0  0
 36 43  1  0  0  0  0
M  END
>  <Mol_ID> (1,689)
3024

>  <Formula> (1,689)
C36H42N6O

>  <MolWeight> (1,689)
574.75828

>  <Item Name> (1,689)
LLY-507

>  <Catalog Number> (1,689)
S7575

>  <Synonyms> (1,689)
N/A

>  <Target> (1,689)
Histone Methyltransferase

>  <Form> (1,689)
Free Base

>  <URL> (1,689)
http://www.selleckchem.com/products/lly-507.html

>  <CAS Number> (1,689)
1793053-37-8

$$$$
Deguelin.cdx
csChFnd80/07171813002D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    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    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    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
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    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
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  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
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 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
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 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 22  1  1  0  0  0  0
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 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> (1,690)
3026

>  <Formula> (1,690)
C23H22O6

>  <MolWeight> (1,690)
394.41718

>  <Item Name> (1,690)
Deguelin

>  <Catalog Number> (1,690)
S8132

>  <Synonyms> (1,690)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (1,690)
Akt

>  <Form> (1,690)
Free Base

>  <URL> (1,690)
http://www.selleckchem.com/products/deguelin.html

>  <CAS Number> (1,690)
522-17-8

$$$$
S4700 4-Aminobutyric acid.cdx
csChFnd80/07171813002D

  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> (1,691)
3027

>  <Formula> (1,691)
C4H9NO2

>  <MolWeight> (1,691)
103.11976

>  <Item Name> (1,691)
4-Aminobutyric acid

>  <Catalog Number> (1,691)
S4700

>  <Synonyms> (1,691)
4-Aminobutanoic acid, GABA, Gamma-aminobutyric acid, Piperidic acid

>  <Target> (1,691)
GABA Receptor

>  <Form> (1,691)
Free Base

>  <URL> (1,691)
http://www.selleckchem.com/products/4-aminobutyric-acid.html

>  <CAS Number> (1,691)
56-12-2

$$$$
S4702 Sarcosine.cdx
csChFnd80/07171813002D

  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> (1,692)
3029

>  <Formula> (1,692)
C3H7NO2

>  <MolWeight> (1,692)
89.09318

>  <Item Name> (1,692)
Sarcosine

>  <Catalog Number> (1,692)
S4702

>  <Synonyms> (1,692)
N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (1,692)
NMDAR

>  <Form> (1,692)
Free Base

>  <URL> (1,692)
http://www.selleckchem.com/products/sarcosine.html

>  <CAS Number> (1,692)
107-97-1

$$$$
S4710 Picolinamide.cdx
csChFnd80/07171813002D

  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> (1,693)
3033

>  <Formula> (1,693)
C6H6N2O

>  <MolWeight> (1,693)
122.12464

>  <Item Name> (1,693)
Picolinamide

>  <Catalog Number> (1,693)
S4710

>  <Synonyms> (1,693)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (1,693)
PARP

>  <Form> (1,693)
Free Base

>  <URL> (1,693)
http://www.selleckchem.com/products/picolinamide.html

>  <CAS Number> (1,693)
1452-77-3

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/07171813002D

 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> (1,694)
3036

>  <Formula> (1,694)
C21H26ClN3OS

>  <MolWeight> (1,694)
403.96864

>  <Item Name> (1,694)
Perphenazine

>  <Catalog Number> (1,694)
S4731

>  <Synonyms> (1,694)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (1,694)
Dopamine Receptor

>  <Form> (1,694)
Free Base

>  <URL> (1,694)
http://www.selleckchem.com/products/perphenazine.html

>  <CAS Number> (1,694)
58-39-9

$$$$
Voreloxin  SNS-595.cdx
csChFnd80/07171813002D

 29 31  0  0  0  0  0  0  0  0999 V2000
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Voreloxin (SNS-595) hydrochloride

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N/A

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Topoisomerase

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hydrochloride

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http://www.selleckchem.com/products/voreloxin-sns-595.html

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175519-16-1

$$$$
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csChFnd80/07171813002D

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http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

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861875-60-7

$$$$
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csChFnd80/07171813002D

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http://www.selleckchem.com/products/leukadherin-1.html

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344897-95-6

$$$$
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csChFnd80/07171813002D

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http://www.selleckchem.com/products/cpi-637.html

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1884712-47-3

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csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,699)
3043

>  <Formula> (1,699)
C29H34F3N3O5S

>  <MolWeight> (1,699)
593.6575696

>  <Item Name> (1,699)
GGTI 298 TFA salt

>  <Catalog Number> (1,699)
S7466

>  <Synonyms> (1,699)
N/A

>  <Target> (1,699)
Transferase

>  <Form> (1,699)
trifluoroacetat

>  <URL> (1,699)
http://www.selleckchem.com/products/ggti-298.html

>  <CAS Number> (1,699)
1217457-86-7

$$$$
Pamapimod.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,700)
3044

>  <Formula> (1,700)
C19H20F2N4O4

>  <MolWeight> (1,700)
406.3833064

>  <Item Name> (1,700)
Pamapimod (R-1503, Ro4402257)

>  <Catalog Number> (1,700)
S8125

>  <Synonyms> (1,700)
N/A

>  <Target> (1,700)
p38 MAPK

>  <Form> (1,700)
Free Base

>  <URL> (1,700)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

>  <CAS Number> (1,700)
449811-01-2

$$$$
ML390.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,701)
3046

>  <Formula> (1,701)
C21H21F3N2O3

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406.3982496

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ML390

>  <Catalog Number> (1,701)
S8382

>  <Synonyms> (1,701)
N/A

>  <Target> (1,701)
Dehydrogenase

>  <Form> (1,701)
Free Base

>  <URL> (1,701)
http://www.selleckchem.com/products/ml390.html

$$$$
AS101.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,702)
3048

>  <Formula> (1,702)
C2H8Cl3NO2Te

>  <MolWeight> (1,702)
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>  <Item Name> (1,702)
AS101

>  <Catalog Number> (1,702)
S8301

>  <Synonyms> (1,702)
N/A

>  <Target> (1,702)
Others

>  <Form> (1,702)
Coordination Co

>  <URL> (1,702)
http://www.selleckchem.com/products/as101.html

>  <CAS Number> (1,702)
106566-58-9

$$$$
OICR-9429.cdx
csChFnd80/07171813002D

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CPI 1205, CPI1205

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Histone Methyltransferase

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Free Base

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http://www.selleckchem.com/products/cpi-1205.html

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1621862-70-1

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MK571.cdx
csChFnd80/07171813002D

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115103-85-0

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N/A

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Estrogen/progestogen Receptor

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Free Base

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http://www.selleckchem.com/products/azd9496.html

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1639042-08-2

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M  END
>  <Mol_ID> (1,710)
3059

>  <Formula> (1,710)
C29H31ClN8O5

>  <MolWeight> (1,710)
607.06004

>  <Item Name> (1,710)
GSK269962 HCl

>  <Catalog Number> (1,710)
S7687

>  <Synonyms> (1,710)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (1,710)
ROCK

>  <Form> (1,710)
hydrochloride

>  <URL> (1,710)
http://www.selleckchem.com/products/gsk269962.html

>  <CAS Number> (1,710)
850664-21-0(free base)

$$$$
NT157.cdx
csChFnd80/07171813002D

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    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,711)
3060

>  <Formula> (1,711)
C16H14BrNO5S

>  <MolWeight> (1,711)
412.25506

>  <Item Name> (1,711)
NT157

>  <Catalog Number> (1,711)
S8228

>  <Synonyms> (1,711)
N/A

>  <Target> (1,711)
IGF-1R

>  <Form> (1,711)
Free Base

>  <URL> (1,711)
http://www.selleckchem.com/products/nt157.html

>  <CAS Number> (1,711)
1384426-12-3

$$$$
PD-1PD-L1 Inhibitor 3.cdx
csChFnd80/07171813002D

132139  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,716)
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>  <Formula> (1,716)
C14H24Cl2N4O2

>  <MolWeight> (1,716)
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>  <Item Name> (1,716)
BGP-15 2HCl

>  <Catalog Number> (1,716)
S8370

>  <Synonyms> (1,716)
N/A

>  <Target> (1,716)
PARP

>  <Form> (1,716)
dihydrochloride

>  <URL> (1,716)
http://www.selleckchem.com/products/bgp-15.html

>  <CAS Number> (1,716)
66611-37-8

$$$$
Netarsudil (AR-13324).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,717)
3067

>  <Formula> (1,717)
C28H29Cl2N3O3

>  <MolWeight> (1,717)
526.45416

>  <Item Name> (1,717)
Netarsudil (AR-13324) 2HCl

>  <Catalog Number> (1,717)
S8226

>  <Synonyms> (1,717)
N/A

>  <Target> (1,717)
ROCK

>  <Form> (1,717)
dihydrochloride

>  <URL> (1,717)
http://www.selleckchem.com/products/netarsudil-ar-13324.html

>  <CAS Number> (1,717)
1253952-02-1

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,718)
3069

>  <Formula> (1,718)
C26H24N8O2

>  <MolWeight> (1,718)
480.52116

>  <Item Name> (1,718)
ARRY-380 (ONT-380)

>  <Catalog Number> (1,718)
S8362

>  <Synonyms> (1,718)
Tucatinib

>  <Target> (1,718)
HER2

>  <Form> (1,718)
Free Base

>  <URL> (1,718)
http://www.selleckchem.com/products/arry-380-ont-380.html

>  <CAS Number> (1,718)
937263-43-9

$$$$
CPI-455.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,719)
3070

>  <Formula> (1,719)
C16H15ClN4O

>  <MolWeight> (1,719)
314.7695

>  <Item Name> (1,719)
CPI-455 HCl

>  <Catalog Number> (1,719)
S8287

>  <Synonyms> (1,719)
N/A

>  <Target> (1,719)
Histone Demethylase

>  <Form> (1,719)
hydrochloride

>  <URL> (1,719)
http://www.selleckchem.com/products/cpi-455.html

>  <CAS Number> (1,719)
1628208-23-0(free base)

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/07171813002D

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N/A

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c-Met

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http://www.selleckchem.com/products/ly2801653-merestinib.html

>  <CAS Number> (1,720)
1206799-15-6

$$$$
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csChFnd80/07171813002D

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N/A

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PI3K

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Free Base

>  <URL> (1,721)
http://www.selleckchem.com/products/gdc-0084.html

>  <CAS Number> (1,721)
1382979-44-3

$$$$
MX69.cdx
csChFnd80/07171813002D

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Mdm2

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>  <URL> (1,722)
http://www.selleckchem.com/products/mx69.html

>  <CAS Number> (1,722)
1005264-47-0

$$$$
CA-074 methyl ester.cdx
csChFnd80/07171813002D

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CA-074 methyl ester (CA-074 Me)

>  <Catalog Number> (1,723)
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>  <Synonyms> (1,723)
Cathepsin B Inhibitor IV

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Cysteine Protease

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Free Base

>  <URL> (1,723)
http://www.selleckchem.com/products/ca-074-methyl-ester.html

>  <CAS Number> (1,723)
147859-80-1

$$$$
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COX

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Free Base

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hydrochloride

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110448-33-4

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sodium salt

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828934-41-4

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csChFnd80/07171813002D

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1316695-35-8

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N/A

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FGFR

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Free Base

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1346242-81-6

$$$$
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Apoptozole

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Apoptosis Activator VII

>  <Target> (1,734)
HSP

>  <Form> (1,734)
Free Base

>  <URL> (1,734)
http://www.selleckchem.com/products/apoptozole.html

>  <CAS Number> (1,734)
1054543-47-3

$$$$
Y-39983 HCl.cdx
csChFnd80/07171813002D

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>  <Formula> (1,735)
C16H18Cl2N4O

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Y-39983 HCl

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S7935

>  <Synonyms> (1,735)
Y-33075 HCl

>  <Target> (1,735)
ROCK

>  <Form> (1,735)
dihydrochloride

>  <URL> (1,735)
http://www.selleckchem.com/products/y-39983-hcl.html

>  <CAS Number> (1,735)
173897-44-4

$$$$
APR-246 (PRIMA-1MET).cdx
csChFnd80/07171813002D

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p53

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5291-32-7

$$$$
S4736 Trapidil.cdx
csChFnd80/07171813002D

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Rocornal, Trapymin, Avantrin, Trapymine

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Free Base

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

>  <CAS Number> (1,737)
15421-84-8

$$$$
MS049.cdx
csChFnd80/07171813002D

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MS049

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dihydrochloride

>  <URL> (1,738)
http://www.selleckchem.com/products/ms049.html

>  <CAS Number> (1,738)
1502816-23-0(free base)

$$$$
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>  <Synonyms> (1,739)
N/A

>  <Target> (1,739)
DNA/RNA Synthesis

>  <Form> (1,739)
hydrochloride

>  <URL> (1,739)
http://www.selleckchem.com/products/cemmec1.html

>  <CAS Number> (1,739)
440662-09-9(free base)

$$$$
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>  <Form> (1,740)
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>  <URL> (1,740)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

>  <CAS Number> (1,740)
557782-81-7

$$$$
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>  <URL> (1,741)
http://www.selleckchem.com/products/sto-609.html

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52029-86-4

$$$$
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M  END
>  <Mol_ID> (1,743)
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C24H34F6O3

>  <MolWeight> (1,743)
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>  <Synonyms> (1,743)
NSC 172285

>  <Target> (1,743)
FGFR

>  <Form> (1,743)
Free Base

>  <URL> (1,743)
http://www.selleckchem.com/products/nsc12.html

>  <CAS Number> (1,743)
102586-30-1

$$$$
THZ1.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,744)
3101

>  <Formula> (1,744)
C31H30Cl3N7O2

>  <MolWeight> (1,744)
638.9746

>  <Item Name> (1,744)
THZ1 2HCl

>  <Catalog Number> (1,744)
S7549

>  <Synonyms> (1,744)
N/A

>  <Target> (1,744)
CDK

>  <Form> (1,744)
dihydrochloride

>  <URL> (1,744)
http://www.selleckchem.com/products/thz1.html

>  <CAS Number> (1,744)
1604810-83-4(free base)

$$$$
UNC0638.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,745)
3102

>  <Formula> (1,745)
C30H47N5O2

>  <MolWeight> (1,745)
509.72648

>  <Item Name> (1,745)
UNC0638

>  <Catalog Number> (1,745)
S8071

>  <Synonyms> (1,745)
N/A

>  <Target> (1,745)
Histone Methyltransferase

>  <Form> (1,745)
Free Base

>  <URL> (1,745)
http://www.selleckchem.com/products/unc0638.html

>  <CAS Number> (1,745)
1255580-76-7

$$$$
GSK2269557.cdx
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Nemiralisib

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Free Base

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1254036-71-9

$$$$
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Jervine

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11-Ketocyclopamine

>  <Target> (1,747)
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>  <Form> (1,747)
Free Base

>  <URL> (1,747)
http://www.selleckchem.com/products/jervine.html

>  <CAS Number> (1,747)
469-59-0

$$$$
S4746 (20S)-Protopanaxadiol.cdx
csChFnd80/07171813002D

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http://www.selleckchem.com/products/20s-protopanaxadiol.html

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30636-90-9

$$$$
S4739 Oxyresveratrol.cdx
csChFnd80/07171813002D

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Free Base

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29700-22-9

$$$$
Monastrol.cdx
csChFnd80/07171813002D

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C14H16N2O3S

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Monastrol

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N/A

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Kinesin

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329689-23-8

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csChFnd80/07171813002D

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Histone Methyltransferase

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NF-¦ÊB

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Free Base

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http://www.selleckchem.com/products/gsk583.html

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1346547-00-9

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C23H17FN6O2

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TAK-063

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Balipodect

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PDE

>  <Form> (1,756)
Free Base

>  <URL> (1,756)
http://www.selleckchem.com/products/tak-063.html

>  <CAS Number> (1,756)
1238697-26-1

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1400W.cdx
csChFnd80/07171813002D

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C10H17Cl2N3

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1400W 2HCl

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S8337

>  <Synonyms> (1,757)
N-(3-(Aminomethyl)benzyl)acetamidine

>  <Target> (1,757)
Others

>  <Form> (1,757)
dihydrochloride

>  <URL> (1,757)
http://www.selleckchem.com/products/1400w.html

>  <CAS Number> (1,757)
214358-33-5

$$$$
ARQ 092.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,758)
3121

>  <Formula> (1,758)
C27H25ClN6

>  <MolWeight> (1,758)
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>  <Item Name> (1,758)
Miransertib (ARQ 092)HCl

>  <Catalog Number> (1,758)
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>  <Synonyms> (1,758)
Miransertib

>  <Target> (1,758)
Akt

>  <Form> (1,758)
hydrochloride

>  <URL> (1,758)
http://www.selleckchem.com/products/arq-092.html

>  <CAS Number> (1,758)
1313883-00-9

$$$$
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N/A

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PI3K

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Free Base

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http://www.selleckchem.com/products/vps34-inhibitor-1.html

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1383716-46-8

$$$$
KRIBB11.cdx
csChFnd80/07171813002D

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KRIBB11

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HSP (e.g. HSP90)

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Free Base

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http://www.selleckchem.com/products/kribb11.html

>  <CAS Number> (1,760)
342639-96-7

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>  <Formula> (1,761)
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BP-1-102

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>  <Synonyms> (1,761)
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>  <Target> (1,761)
STAT

>  <Form> (1,761)
Free Base

>  <URL> (1,761)
http://www.selleckchem.com/products/bp-1-102.html

>  <CAS Number> (1,761)
1334493-07-0

$$$$
OTS514.cdx
csChFnd80/07171813002D

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>  <Formula> (1,762)
C21H21ClN2O2S

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OTS514 hydrochloride

>  <Catalog Number> (1,762)
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>  <Synonyms> (1,762)
N/A

>  <Target> (1,762)
TOPK

>  <Form> (1,762)
hydrochloride

>  <URL> (1,762)
http://www.selleckchem.com/products/ots514.html

>  <CAS Number> (1,762)
1338540-63-8(free base)

$$$$
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csChFnd80/07171813002D

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Chk

>  <Form> (1,763)
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>  <URL> (1,763)
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>  <CAS Number> (1,763)
1184843-57-9

$$$$
Importazole.cdx
csChFnd80/07171813002D

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Importazole

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S8446

>  <Synonyms> (1,764)
N/A

>  <Target> (1,764)
Others

>  <Form> (1,764)
Free Base

>  <URL> (1,764)
http://www.selleckchem.com/products/importazole.html

>  <CAS Number> (1,764)
662163-81-7

$$$$
MI-463.cdx
csChFnd80/07171813002D

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>  <Synonyms> (1,765)
N/A

>  <Target> (1,765)
Histone Methyltransferase

>  <Form> (1,765)
Free Base

>  <URL> (1,765)
http://www.selleckchem.com/products/mi-463.html

>  <CAS Number> (1,765)
1628317-18-9

$$$$
RRx-001.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,766)
3133

>  <Formula> (1,766)
C5H6BrN3O5

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RRx-001

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>  <Synonyms> (1,766)
N/A

>  <Target> (1,766)
Dehydrogenase

>  <Form> (1,766)
Free Base

>  <URL> (1,766)
http://www.selleckchem.com/products/rrx-001.html

>  <CAS Number> (1,766)
925206-65-1

$$$$
PNU-74654.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,767)
3134

>  <Formula> (1,767)
C19H16N2O3

>  <MolWeight> (1,767)
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>  <Item Name> (1,767)
PNU-74654

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>  <Synonyms> (1,767)
N/A

>  <Target> (1,767)
Wnt/beta-catenin

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Free Base

>  <URL> (1,767)
http://www.selleckchem.com/products/pnu-74654.html

>  <CAS Number> (1,767)
113906-27-7

$$$$
S8275-eFT-508.cdx
csChFnd80/07171813002D

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N/A

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MNK

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300817-68-9

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1489389-18-5

$$$$
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csChFnd80/07171813002D

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Autophagy

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sodium salt hyd

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6209-17-2

$$$$
S4749 Citalopram HBr.cdx
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hydrobromide

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59729-32-7

$$$$
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1439901-97-9

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Rp-5264

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PI3K

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>  <URL> (1,792)
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>  <CAS Number> (1,792)
1532533-67-7

$$$$
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csChFnd80/07171813002D

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HIF

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http://www.selleckchem.com/products/mk-8617.html

>  <CAS Number> (1,793)
1187990-87-9
1187990-87-9
1187990-87-9

$$$$
Imidapril hydrochloride.cdx
csChFnd80/07171813002D

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>  <Formula> (1,794)
C20H28ClN3O6

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Imidapril HCl

>  <Catalog Number> (1,794)
S2109

>  <Synonyms> (1,794)
N/A

>  <Target> (1,794)
RAAS

>  <Form> (1,794)
Hydrochloride

>  <URL> (1,794)
http://www.selleckchem.com/products/imidapril-tanatril.html

>  <CAS Number> (1,794)
89396-94-1

$$$$
S4678 Povidone iodine.cdx
csChFnd80/07171813002D

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>  <Formula> (1,795)
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>  <MolWeight> (1,795)
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Povidone iodine

>  <Catalog Number> (1,795)
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>  <Synonyms> (1,795)
Betadine, PVP iodine, PVP-I, Isodine

>  <Target> (1,795)
Antifection

>  <Form> (1,795)
iodine

>  <URL> (1,795)
http://www.selleckchem.com/products/povidone-iodine.html

>  <CAS Number> (1,795)
25655-41-8

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/07171813002D

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>  <Formula> (1,796)
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>  <MolWeight> (1,796)
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>  <Item Name> (1,796)
Nazartinib (EGF816, NVS-816)

>  <Catalog Number> (1,796)
S7824

>  <Synonyms> (1,796)
N/A

>  <Target> (1,796)
EGFR

>  <Form> (1,796)
Free Base

>  <URL> (1,796)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

>  <CAS Number> (1,796)
1508250-71-2

$$$$
B02.cdx
csChFnd80/07171813002D

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1290541-46-6

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dihydrochloride

>  <URL> (1,798)
http://www.selleckchem.com/products/ots964.html

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1338545-07-5(HCl salt)

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JNK

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hydrochloride

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http://www.selleckchem.com/products/cc-930.html

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>  <Item Name> (1,809)
Azatadine dimaleate

>  <Catalog Number> (1,809)
S3186

>  <Synonyms> (1,809)
SCH10649

>  <Target> (1,809)
Histamine Receptor

>  <Form> (1,809)
Dimaleate

>  <URL> (1,809)
http://www.selleckchem.com/products/azatadine-dimaleate.html

>  <CAS Number> (1,809)
3978-86-7

$$$$
PRT-060318 (PRT318).cdx
csChFnd80/07171813002D

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>  <Formula> (1,810)
C18H26Cl2N6O

>  <MolWeight> (1,810)
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>  <Item Name> (1,810)
PRT-060318 (PRT318)

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S7738

>  <Synonyms> (1,810)
PRT318

>  <Target> (1,810)
Syk

>  <Form> (1,810)
hydrochloride salt

>  <URL> (1,810)
http://www.selleckchem.com/products/prt-060318-prt318-3hcl.html

>  <CAS Number> (1,810)
1194961-19-7 (free base)

$$$$
BIX01294 3HCl.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,811)
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>  <Formula> (1,811)
C28H41Cl3N6O2

>  <MolWeight> (1,811)
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>  <Item Name> (1,811)
BIX 01294

>  <Catalog Number> (1,811)
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>  <Synonyms> (1,811)
N/A

>  <Target> (1,811)
Histone Methyltransferase

>  <Form> (1,811)
trihydrochloride

>  <URL> (1,811)
http://www.selleckchem.com/products/bix-01294.html

>  <CAS Number> (1,811)
1392399-03-9

$$$$
CFI-400945.cdx
csChFnd80/07171813002D

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PLK

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Free Base

>  <URL> (1,812)
http://www.selleckchem.com/products/cfi-400945.html

>  <CAS Number> (1,812)
1338806-73-7

$$$$
BAY-876.cdx
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GLUT

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Free Base

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http://www.selleckchem.com/products/bay-876.html

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1799753-84-6

$$$$
Cl-amidine.cdx
csChFnd80/07171813002D

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Immunology & Inflammation related

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trifluoroacetate

>  <URL> (1,814)
http://www.selleckchem.com/products/cl-amidine.html

>  <CAS Number> (1,814)
1043444-18-3

$$$$
AZD5153.cdx
csChFnd80/07171813002D

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>  <Synonyms> (1,815)
N/A

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Epigenetic Reader Domain

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2-Naphthalenecarboxylic acid

>  <URL> (1,815)
http://www.selleckchem.com/products/azd5153.html

>  <CAS Number> (1,815)
1869912-40-2

$$$$
YU238259.cdx
csChFnd80/07171813002D

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>  <Formula> (1,816)
C22H22ClN3O4S

>  <MolWeight> (1,816)
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YU238259

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>  <Synonyms> (1,816)
N/A

>  <Target> (1,816)
DNA-PK

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Free Base

>  <URL> (1,816)
http://www.selleckchem.com/products/yu238259.html

>  <CAS Number> (1,816)
1943733-16-1

$$$$
DAPTA.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,817)
3205

>  <Formula> (1,817)
C35H56N10O15

>  <MolWeight> (1,817)
856.87714

>  <Item Name> (1,817)
DAPTA

>  <Catalog Number> (1,817)
S8501

>  <Synonyms> (1,817)
D-Ala-peptide T-amide, peptide T

>  <Target> (1,817)
gp120 Bal-CCR5,CM235-CCR5

>  <Form> (1,817)
free base

>  <URL> (1,817)
http://www.selleckchem.com/products/dapta.html

>  <CAS Number> (1,817)
106362-34-9

$$$$
SHP099.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,818)
3206

>  <Formula> (1,818)
C16H21Cl4N5

>  <MolWeight> (1,818)
425.18344

>  <Item Name> (1,818)
SHP099 dihydrochloride

>  <Catalog Number> (1,818)
S8278

>  <Synonyms> (1,818)
N/A

>  <Target> (1,818)
SHP-2

>  <Form> (1,818)
Dihydrochloride 

>  <URL> (1,818)
http://www.selleckchem.com/products/shp099-dihydrochloride.html

>  <CAS Number> (1,818)
1801747-42-1(free base)

$$$$
VLX1570.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,819)
3207

>  <Formula> (1,819)
C23H17F2N3O6

>  <MolWeight> (1,819)
469.3943864

>  <Item Name> (1,819)
VLX1570

>  <Catalog Number> (1,819)
S8288

>  <Synonyms> (1,819)
N/A

>  <Target> (1,819)
DUB

>  <Form> (1,819)
free base

>  <URL> (1,819)
http://www.selleckchem.com/products/vlx1570.html

>  <CAS Number> (1,819)
1431280-51-1

$$$$
SAR405.cdx
csChFnd80/07171813002D

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DNA-PK

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Caspase-3 Inhibitor I, N-Ac-Asp-Glu-Val-Asp-CHO

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Caspase

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free base

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169332-60-9

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dihydrochloride

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1234015-54-3

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1982372-88-2

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1821908-48-8

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KRpep-2d

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S8499

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N/A

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K-Ras(G12D)

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Free base

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http://www.selleckchem.com/products/kppep-2d.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/07171813002D

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3256

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C19H17N5O3

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Serabelisib (INK-1117,MLN-1117,TAK-117)

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S8581

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N/A

>  <Target> (1,854)
PI3K¦Á 

>  <Form> (1,854)
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>  <URL> (1,854)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

>  <CAS Number> (1,854)
1268454-23-4

$$$$
¦Á-cyano-4-hydroxycinnamic acid(¦Á-CHCA).cdx
csChFnd80/07171813002D

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C10H7NO3

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¦Á-cyano-4-hydroxycinnamic acid(¦Á-CHCA)

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S8612

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N/A

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MCT

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free base

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http://www.selleckchem.com/products/alpha-cyano-4-hydroxycinnamic-acid-alpha-chca.html

>  <CAS Number> (1,855)
28166-41-8

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/07171813002D

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C2HCl2NaO2

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bichloroacetic acid, BCA

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PDK

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sodium salt

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http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

>  <CAS Number> (1,856)
2156-56-1

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/07171813002D

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3260

>  <Formula> (1,857)
C33H44FN5O3

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Belizatinib (TSR-011)

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S8511

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N/A

>  <Target> (1,857)
ALK,TRK

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free base

>  <URL> (1,857)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

>  <CAS Number> (1,857)
1357920-84-3

$$$$
HJC0152.cdx
csChFnd80/07171813002D

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STAT3

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hydrochloride

>  <URL> (1,858)
http://www.selleckchem.com/products/hjc0152.html

>  <CAS Number> (1,858)
1420290-99-8

$$$$
Autophinib.cdx
csChFnd80/07171813002D

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>  <Formula> (1,859)
C14H11ClN6O3

>  <MolWeight> (1,859)
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>  <Item Name> (1,859)
Autophinib

>  <Catalog Number> (1,859)
S8596

>  <Synonyms> (1,859)
N/A

>  <Target> (1,859)
autophagy

>  <Form> (1,859)
free base

>  <URL> (1,859)
http://www.selleckchem.com/products/autophinib.html

>  <CAS Number> (1,859)
1644443-47-9

$$$$
BGB-283.cdx
csChFnd80/07171813002D

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>  <Formula> (1,860)
C25H17F3N4O3

>  <MolWeight> (1,860)
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>  <Item Name> (1,860)
Lifirafenib (BGB-283)

>  <Catalog Number> (1,860)
S7926

>  <Synonyms> (1,860)
Beigene-283

>  <Target> (1,860)
RAF,EGFR

>  <Form> (1,860)
free base

>  <URL> (1,860)
http://www.selleckchem.com/products/bgb-283-bgb283.html

>  <CAS Number> (1,860)
1446090-79-4

$$$$
LW 6.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,861)
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>  <Formula> (1,861)
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>  <Item Name> (1,861)
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>  <Catalog Number> (1,861)
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>  <Synonyms> (1,861)
N/A

>  <Target> (1,861)
HIF-1¦Á

>  <Form> (1,861)
free base

>  <URL> (1,861)
http://www.selleckchem.com/products/lw-6.html

>  <CAS Number> (1,861)
934593-90-5

$$$$
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free base

>  <URL> (1,862)
http://www.selleckchem.com/products/prn1371.html

>  <CAS Number> (1,862)
1802929-43-6

$$$$
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csChFnd80/07171813002D

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IDH1,IDH2 

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free base

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http://www.selleckchem.com/products/ag-881.html

>  <CAS Number> (1,863)
1644545-52-7

$$$$
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Met,ALK 

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http://www.selleckchem.com/products/ensartinib-x-396.html

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1370651-20-9

$$$$
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1254053-43-4

$$$$
NCT-503.cdx
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Autophagy

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1859141-26-6

$$$$
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csChFnd80/07171813002D

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516480-79-8

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1951483-29-6

$$$$
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csChFnd80/07171813002D

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  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,875)
3286

>  <Formula> (1,875)
C37H42Cl2N2O6

>  <MolWeight> (1,875)
681.64518

>  <Item Name> (1,875)
Berbamine (dihydrochloride)

>  <Catalog Number> (1,875)
S3609

>  <Synonyms> (1,875)
N/A

>  <Target> (1,875)
NF-¦ÊB,bcr/abl

>  <Form> (1,875)
dihydrochloride

>  <URL> (1,875)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

>  <CAS Number> (1,875)
6078-17-7

$$$$
S3618 Acetylspiramycin.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,876)
3288

>  <Formula> (1,876)
C45H76N2O15

>  <MolWeight> (1,876)
885.08934

>  <Item Name> (1,876)
Acetylspiramycin (ASPM)

>  <Catalog Number> (1,876)
S3618

>  <Synonyms> (1,876)
Spiramycin II, Foromacidin B

>  <Target> (1,876)
Others

>  <Form> (1,876)
free base

>  <URL> (1,876)
http://www.selleckchem.com/products/acetylspiramycin.html

>  <CAS Number> (1,876)
24916-51-6

$$$$
S3605 Borneol.cdx
csChFnd80/07171813002D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,877)
3290

>  <Formula> (1,877)
C10H18O

>  <MolWeight> (1,877)
154.24932

>  <Item Name> (1,877)
Borneol

>  <Catalog Number> (1,877)
S3605

>  <Synonyms> (1,877)
N/A

>  <Target> (1,877)
TRPM8

>  <Form> (1,877)
free base

>  <URL> (1,877)
http://www.selleckchem.com/products/borneol.html

>  <CAS Number> (1,877)
507-70-0

$$$$
S3619 Citicoline sodium.cdx
csChFnd80/07171813002D

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    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
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  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> (1,878)
3292

>  <Formula> (1,878)
C14H25N4NaO11P2

>  <MolWeight> (1,878)
510.305792

>  <Item Name> (1,878)
Citicoline sodium

>  <Catalog Number> (1,878)
S3619

>  <Synonyms> (1,878)
CDP-choline

>  <Target> (1,878)
Others

>  <Form> (1,878)
sodium salt

>  <URL> (1,878)
http://www.selleckchem.com/products/citicoline-sodium.html

>  <CAS Number> (1,878)
33818-15-4

$$$$
S3696 PTP Inhibitor I.cdx
csChFnd80/07171813002D

 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> (1,879)
3296

>  <Formula> (1,879)
C8H7BrO2

>  <MolWeight> (1,879)
215.04398

>  <Item Name> (1,879)
PTP Inhibitor I

>  <Catalog Number> (1,879)
S3696

>  <Synonyms> (1,879)
¦Á-Bromo-4-hydroxyacetophenone,SHP-1 Inhibitor II

>  <Target> (1,879)
protein tyrosine phosphatase

>  <Form> (1,879)
free base

>  <URL> (1,879)
http://www.selleckchem.com/products/ptp-inhibitor-i.html

>  <CAS Number> (1,879)
2491-38-5

$$$$
S3697 Mafenide hydrochloride.cdx
csChFnd80/07171813002D

 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> (1,880)
3297

>  <Formula> (1,880)
C7H11ClN2O2S

>  <MolWeight> (1,880)
222.69244

>  <Item Name> (1,880)
Mafenide hydrochloride

>  <Catalog Number> (1,880)
S3697

>  <Synonyms> (1,880)
4-Aminomethylbenzenesulfonamide hydrochloride

>  <Target> (1,880)
carbonic anhydrase

>  <Form> (1,880)
hydrochloride

>  <URL> (1,880)
http://www.selleckchem.com/products/mafenide-hydrochloride.html

>  <CAS Number> (1,880)
138-37-4

$$$$
S3698 Nortriptyline (hydrochloride).cdx
csChFnd80/07171813002D

 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> (1,881)
3298

>  <Formula> (1,881)
C19H22ClN

>  <MolWeight> (1,881)
299.83768

>  <Item Name> (1,881)
Nortriptyline hydrochloride

>  <Catalog Number> (1,881)
S3698

>  <Synonyms> (1,881)
ELF-101 hydrochloride, EN-7048 hydrochloride, Desmethylamitriptyline hydrochloride

>  <Target> (1,881)
Kv channels

>  <Form> (1,881)
hydrochloride

>  <URL> (1,881)
http://www.selleckchem.com/products/nortriptyline-hydrochloride.html

>  <CAS Number> (1,881)
894-71-3

$$$$
S3701 Benactyzine hydrochloride.cdx
csChFnd80/07171813002D

 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> (1,882)
3300

>  <Formula> (1,882)
C20H26ClNO3

>  <MolWeight> (1,882)
363.87834

>  <Item Name> (1,882)
Benactyzine hydrochloride

>  <Catalog Number> (1,882)
S3701

>  <Synonyms> (1,882)
N/A

>  <Target> (1,882)
AChR

>  <Form> (1,882)
hydrochloride

>  <URL> (1,882)
http://www.selleckchem.com/products/benactyzine-hydrochloride.html

>  <CAS Number> (1,882)
57-37-4

$$$$
S3687 Urea.cdx
csChFnd80/07171813002D

  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> (1,883)
3301

>  <Formula> (1,883)
CH4N2O

>  <MolWeight> (1,883)
60.05526

>  <Item Name> (1,883)
Urea

>  <Catalog Number> (1,883)
S3687

>  <Synonyms> (1,883)
Carbamide, Carbonyldiamide, Ureophil

>  <Target> (1,883)
Others

>  <Form> (1,883)
free base

>  <URL> (1,883)
http://www.selleckchem.com/products/urea.html

>  <CAS Number> (1,883)
57-13-6

$$$$
S3703 Phenethyl alcohol.cdx
csChFnd80/07171813002D

  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> (1,884)
3302

>  <Formula> (1,884)
C8H10O

>  <MolWeight> (1,884)
122.1644

>  <Item Name> (1,884)
Phenethyl alcohol

>  <Catalog Number> (1,884)
S3703

>  <Synonyms> (1,884)
2-phenylethanol, 2-Phenylethyl alcohol, Benzeneethanol, Phenylethanol

>  <Target> (1,884)
Others

>  <Form> (1,884)
free base

>  <URL> (1,884)
http://www.selleckchem.com/products/phenethyl-alcohol.html

>  <CAS Number> (1,884)
60-12-8

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/07171813002D

  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> (1,885)
3303

>  <Formula> (1,885)
C4H7NO2

>  <MolWeight> (1,885)
101.10388

>  <Item Name> (1,885)
2,3-Butanedione-2-monoxime

>  <Catalog Number> (1,885)
S3699

>  <Synonyms> (1,885)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (1,885)
skeletal muscle myosin-II

>  <Form> (1,885)
free base

>  <URL> (1,885)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

>  <CAS Number> (1,885)
57-71-6

$$$$
S3634 6-Hydroxyflavone.cdx
csChFnd80/07171813002D

 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
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    1.2015    2.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  5 10  2  0  0  0  0
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  8 11  1  0  0  0  0
 11 13  1  0  0  0  0
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 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> (1,886)
3304

>  <Formula> (1,886)
C15H10O3

>  <MolWeight> (1,886)
238.2381

>  <Item Name> (1,886)
6-Hydroxyflavone (6-HF)

>  <Catalog Number> (1,886)
S3634

>  <Synonyms> (1,886)
N/A

>  <Target> (1,886)
GABAA receptors

>  <Form> (1,886)
free base

>  <URL> (1,886)
http://www.selleckchem.com/products/6-hydroxyflavone-6-hf.html

>  <CAS Number> (1,886)
6665-83-4

$$$$
S3616 Asiaticoside.cdx
csChFnd80/07171813002D

 70 77  0  0  0  0  0  0  0  0999 V2000
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   10.6611   15.0858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,887)
3306

>  <Formula> (1,887)
C48H78O19

>  <MolWeight> (1,887)
959.12152

>  <Item Name> (1,887)
Asiaticoside

>  <Catalog Number> (1,887)
S3616

>  <Synonyms> (1,887)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (1,887)
Others

>  <Form> (1,887)
free base

>  <URL> (1,887)
http://www.selleckchem.com/products/asiaticoside.html

>  <CAS Number> (1,887)
16830-15-2

$$$$
S3631 (S)-Methylisothiourea sulfate.cdx
csChFnd80/07171813002D

  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> (1,888)
3308

>  <Formula> (1,888)
C2H6N2RS

>  <MolWeight> (1,888)
90.14744

>  <Item Name> (1,888)
(S)-Methylisothiourea sulfate

>  <Catalog Number> (1,888)
S3631

>  <Synonyms> (1,888)
N/A

>  <Target> (1,888)
iNOS

>  <Form> (1,888)
sulfate

>  <URL> (1,888)
http://www.selleckchem.com/products/s-methylisothiourea-sulfate.html

>  <CAS Number> (1,888)
867-44-7

$$$$
S3632 Trichloroisocyanuric acid.cdx
csChFnd80/07171813002D

 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
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  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
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  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,889)
3309

>  <Formula> (1,889)
C3Cl3N3O3

>  <MolWeight> (1,889)
232.4094

>  <Item Name> (1,889)
Trichloroisocyanuric acid

>  <Catalog Number> (1,889)
S3632

>  <Synonyms> (1,889)
N/A

>  <Target> (1,889)
Others

>  <Form> (1,889)
free base

>  <URL> (1,889)
http://www.selleckchem.com/products/trichloroisocyanuric-acid.html

>  <CAS Number> (1,889)
87-90-1

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/07171813002D

  9  8  0  0  0  0  0  0  0  0999 V2000
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    0.0362    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4489    4.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9606    0.0000    0.0000 N   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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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,890)
3310

>  <Formula> (1,890)
C5H12N2S2

>  <MolWeight> (1,890)
164.29218

>  <Item Name> (1,890)
Pyrrolidinedithiocarbamate ammonium

>  <Catalog Number> (1,890)
S3633

>  <Synonyms> (1,890)
APDC, PDTC

>  <Target> (1,890)
NF-¦ÊB

>  <Form> (1,890)
ammonium salt

>  <URL> (1,890)
http://www.selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

>  <CAS Number> (1,890)
5108-96-3

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/07171813002D

 65 69  0  0  0  0  0  0  0  0999 V2000
   13.3576    6.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1434    4.8745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3576    5.5532    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7147    4.8745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8573    4.8745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4287    3.4637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8752    9.1247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9289    5.5710    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,891)
3311

>  <Formula> (1,891)
C42H68N2O16

>  <MolWeight> (1,891)
856.99312

>  <Item Name> (1,891)
Diammonium Glycyrrhizinate

>  <Catalog Number> (1,891)
S3622

>  <Synonyms> (1,891)
N/A

>  <Target> (1,891)
Others

>  <Form> (1,891)
ammonium salt 

>  <URL> (1,891)
http://www.selleckchem.com/products/diammonium-glycyrrhizinate.html

>  <CAS Number> (1,891)
79165-06-3

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,892)
3313

>  <Formula> (1,892)
C37H40N2O6

>  <MolWeight> (1,892)
608.7233

>  <Item Name> (1,892)
(+)-Fangchinoline

>  <Catalog Number> (1,892)
S3611

>  <Synonyms> (1,892)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (1,892)
Others

>  <Form> (1,892)
free base

>  <URL> (1,892)
http://www.selleckchem.com/products/s-s-fangchinoline.html

>  <CAS Number> (1,892)
436-77-1

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,893)
3317

>  <Formula> (1,893)
C9H10O4

>  <MolWeight> (1,893)
182.1733

>  <Item Name> (1,893)
Methyl Vanillate

>  <Catalog Number> (1,893)
S3630

>  <Synonyms> (1,893)
N/A

>  <Target> (1,893)
Wnt/¦Â-Catenin

>  <Form> (1,893)
free base

>  <URL> (1,893)
http://www.selleckchem.com/products/methyl-vanillate.html

>  <CAS Number> (1,893)
3943-74-6

$$$$
ACSS2 inhibitor.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,894)
3318

>  <Formula> (1,894)
C20H18N4O2S2

>  <MolWeight> (1,894)
410.51252

>  <Item Name> (1,894)
ACSS2 inhibitor

>  <Catalog Number> (1,894)
S8588

>  <Synonyms> (1,894)
N/A

>  <Target> (1,894)
ACSS2

>  <Form> (1,894)
free base

>  <URL> (1,894)
http://www.selleckchem.com/products/acss2-inhibitor.html

>  <CAS Number> (1,894)
508186-14-9

$$$$
S3610 Cordycepin.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,895)
3319

>  <Formula> (1,895)
C10H13N5O3

>  <MolWeight> (1,895)
251.24192

>  <Item Name> (1,895)
Cordycepin

>  <Catalog Number> (1,895)
S3610

>  <Synonyms> (1,895)
N/A

>  <Target> (1,895)
Others

>  <Form> (1,895)
free base

>  <URL> (1,895)
http://www.selleckchem.com/products/cordycepin.html

>  <CAS Number> (1,895)
73-03-0

$$$$
S3621 Pazufloxacin (mesylate).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,896)
3320

>  <Formula> (1,896)
C17H19FN2O7S

>  <MolWeight> (1,896)
414.4053632

>  <Item Name> (1,896)
Pazufloxacin mesylate

>  <Catalog Number> (1,896)
S3621

>  <Synonyms> (1,896)
T-3762, Pazucross

>  <Target> (1,896)
Antifection

>  <Form> (1,896)
methanesulfonate

>  <URL> (1,896)
http://www.selleckchem.com/products/pazufloxacin-mesylate.html

>  <CAS Number> (1,896)
163680-77-1

$$$$
S3625 Tyramine.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,897)
3322

>  <Formula> (1,897)
C8H11NO

>  <MolWeight> (1,897)
137.17904

>  <Item Name> (1,897)
Tyramine

>  <Catalog Number> (1,897)
S3625

>  <Synonyms> (1,897)
4-hydroxyphenethylamine, para-tyramine, mydrial, uteramin

>  <Target> (1,897)
Others

>  <Form> (1,897)
free base

>  <URL> (1,897)
http://www.selleckchem.com/products/tyramine.html

>  <CAS Number> (1,897)
51-67-2

$$$$
S3627 Tryptamine.cdx
csChFnd80/07171813002D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,898)
3324

>  <Formula> (1,898)
C10H12N2

>  <MolWeight> (1,898)
160.21568

>  <Item Name> (1,898)
Tryptamine

>  <Catalog Number> (1,898)
S3627

>  <Synonyms> (1,898)
N/A

>  <Target> (1,898)
5-HT receptor

>  <Form> (1,898)
free base

>  <URL> (1,898)
http://www.selleckchem.com/products/tryptamine.html

>  <CAS Number> (1,898)
61-54-1

$$$$
S3620 ¦Â-Glycerophosphate (sodium salt hydrate).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,899)
3325

>  <Formula> (1,899)
C3H17Na2O11P

>  <MolWeight> (1,899)
306.113781

>  <Item Name> (1,899)
¦Â-Glycerophosphate sodium salt hydrate

>  <Catalog Number> (1,899)
S3620

>  <Synonyms> (1,899)
N/A

>  <Target> (1,899)
phosphotase

>  <Form> (1,899)
sodium salt hydrate

>  <URL> (1,899)
http://www.selleckchem.com/products/beta-glycerophosphate-sodium-salt-hydrate.html

>  <CAS Number> (1,899)
13408-09-8

$$$$
CCG-203971.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,900)
3327

>  <Formula> (1,900)
C23H21ClN2O3

>  <MolWeight> (1,900)
408.87744

>  <Item Name> (1,900)
CCG-203971

>  <Catalog Number> (1,900)
S8469

>  <Synonyms> (1,900)
N/A

>  <Target> (1,900)
SRE.L

>  <Form> (1,900)
free base

>  <URL> (1,900)
http://www.selleckchem.com/products/ccg-203971.html

>  <CAS Number> (1,900)
1443437-74-8

$$$$
Reparixin(Repertaxin).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,901)
3328

>  <Formula> (1,901)
C14H21NO3S

>  <MolWeight> (1,901)
283.38644

>  <Item Name> (1,901)
Reparixin (Repertaxin)

>  <Catalog Number> (1,901)
S8640

>  <Synonyms> (1,901)
N/A

>  <Target> (1,901)
CXCR1,CXCR2,CXCL8

>  <Form> (1,901)
free base

>  <URL> (1,901)
http://www.selleckchem.com/products/reparixin-repertaxin.html

>  <CAS Number> (1,901)
266359-83-5

$$$$
S3684 Methacholine chloride.cdx
csChFnd80/07171813002D

 12 10  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,902)
3329

>  <Formula> (1,902)
C8H18ClNO2

>  <MolWeight> (1,902)
195.68702

>  <Item Name> (1,902)
Methacholine chloride

>  <Catalog Number> (1,902)
S3684

>  <Synonyms> (1,902)
Mecholyl chloride, Acetyl-¦Â-methylcholine chloride

>  <Target> (1,902)
muscarinic receptor

>  <Form> (1,902)
chloride

>  <URL> (1,902)
http://www.selleckchem.com/products/methacholine-chloride.html

>  <CAS Number> (1,902)
62-51-1

$$$$
S3702 Dihydrothymine.cdx
csChFnd80/07171813002D

  9  9  0  0  0  0  0  0  0  0999 V2000
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    3.6198    0.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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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> (1,903)
3330

>  <Formula> (1,903)
C5H8N2O2

>  <MolWeight> (1,903)
128.12922

>  <Item Name> (1,903)
Dihydrothymine

>  <Catalog Number> (1,903)
S3702

>  <Synonyms> (1,903)
N/A

>  <Target> (1,903)
Others

>  <Form> (1,903)
free base

>  <URL> (1,903)
http://www.selleckchem.com/products/dihydrothymine.html

>  <CAS Number> (1,903)
696-04-8

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/07171813002D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,904)
3332

>  <Formula> (1,904)
C18H19NO2S2

>  <MolWeight> (1,904)
345.47896

>  <Item Name> (1,904)
PKM2 inhibitor(compound 3k)

>  <Catalog Number> (1,904)
S8616

>  <Synonyms> (1,904)
N/A

>  <Target> (1,904)
PKM2

>  <Form> (1,904)
free base

>  <URL> (1,904)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

>  <CAS Number> (1,904)
94164-88-2

$$$$
S3650 Penicillin V potassium salt.cdx
csChFnd80/07171813002D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,905)
3333

>  <Formula> (1,905)
C16H17KN2O5S

>  <MolWeight> (1,905)
388.47988

>  <Item Name> (1,905)
Penicillin V potassium salt

>  <Catalog Number> (1,905)
S3650

>  <Synonyms> (1,905)
Phenoxymethylpenicillin potassium salt

>  <Target> (1,905)
Antifection

>  <Form> (1,905)
potassium salt

>  <URL> (1,905)
http://www.selleckchem.com/products/penicillin-v-potassium-salt.html

>  <CAS Number> (1,905)
132-98-9

$$$$
S3645 Kitasamycin.cdx
csChFnd80/07171813002D

 55 57  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,906)
3335

>  <Formula> (1,906)
C40H67NO14

>  <MolWeight> (1,906)
785.95828

>  <Item Name> (1,906)
Kitasamycin

>  <Catalog Number> (1,906)
S3645

>  <Synonyms> (1,906)
leucomycin

>  <Target> (1,906)
Antifection

>  <Form> (1,906)
free base

>  <URL> (1,906)
http://www.selleckchem.com/products/kitasamycin.html

>  <CAS Number> (1,906)
1392-21-8

$$$$
S3646 Thimerosal.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,907)
3336

>  <Formula> (1,907)
C9H9HgNaO2S

>  <MolWeight> (1,907)
404.81133

>  <Item Name> (1,907)
Thimerosal

>  <Catalog Number> (1,907)
S3646

>  <Synonyms> (1,907)
Thiomersalate, Mercurothiolate

>  <Target> (1,907)
Antifection

>  <Form> (1,907)
sodium salt

>  <URL> (1,907)
http://www.selleckchem.com/products/thimerosal.html

>  <CAS Number> (1,907)
54-64-8

$$$$
S3676 Carbendazim.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,908)
3339

>  <Formula> (1,908)
C9H9N3O2

>  <MolWeight> (1,908)
191.18666

>  <Item Name> (1,908)
Carbendazim

>  <Catalog Number> (1,908)
S3676

>  <Synonyms> (1,908)
Mercarzole, Carbendazole

>  <Target> (1,908)
Others

>  <Form> (1,908)
free base

>  <URL> (1,908)
http://www.selleckchem.com/products/carbendazim.html

>  <CAS Number> (1,908)
10605-21-7

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,909)
3341

>  <Formula> (1,909)
C11H8O3

>  <MolWeight> (1,909)
188.17942

>  <Item Name> (1,909)
2-Methoxy-1,4-naphthoquinone

>  <Catalog Number> (1,909)
S3661

>  <Synonyms> (1,909)
N/A

>  <Target> (1,909)
PKC

>  <Form> (1,909)
free base

>  <URL> (1,909)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

>  <CAS Number> (1,909)
2348-82-5

$$$$
S3652 3-Nitropropionic acid.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,910)
3342

>  <Formula> (1,910)
C3H5NO4

>  <MolWeight> (1,910)
119.0761

>  <Item Name> (1,910)
3-Nitropropionic acid

>  <Catalog Number> (1,910)
S3652

>  <Synonyms> (1,910)
¦Â-Nitropropionic Acid, 3-NP

>  <Target> (1,910)
mitochondrial respiratory Complex II succin

>  <Form> (1,910)
free base

>  <URL> (1,910)
http://www.selleckchem.com/products/3-nitropropionic-acid.html

>  <CAS Number> (1,910)
504-88-1

$$$$
S3668 Thymopentin.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,911)
3343

>  <Formula> (1,911)
C30H49N9O9

>  <MolWeight> (1,911)
679.76496

>  <Item Name> (1,911)
Thymopentin

>  <Catalog Number> (1,911)
S3668

>  <Synonyms> (1,911)
TP5

>  <Target> (1,911)
Immunology & Inflammation related

>  <Form> (1,911)
free base

>  <URL> (1,911)
http://www.selleckchem.com/products/thymopentin.html

>  <CAS Number> (1,911)
69558-55-0

$$$$
S3667 Imipenem.cdx
csChFnd80/07171813002D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,912)
3344

>  <Formula> (1,912)
C12H19N3O5S

>  <MolWeight> (1,912)
317.36136

>  <Item Name> (1,912)
Imipenem

>  <Catalog Number> (1,912)
S3667

>  <Synonyms> (1,912)
N/A

>  <Target> (1,912)
AmpC ¦Â-lactamase

>  <Form> (1,912)
hydrate

>  <URL> (1,912)
http://www.selleckchem.com/products/imipenem.html

>  <CAS Number> (1,912)
74431-23-5

$$$$
S3672 Cefonicid (sodium).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,913)
3346

>  <Formula> (1,913)
C18H16N6Na2O8S3

>  <MolWeight> (1,913)
586.52958

>  <Item Name> (1,913)
Cefonicid sodium

>  <Catalog Number> (1,913)
S3672

>  <Synonyms> (1,913)
Cefonicid sodium

>  <Target> (1,913)
Antifection

>  <Form> (1,913)
disodium salt

>  <URL> (1,913)
http://www.selleckchem.com/products/cefonicid-sodium.html

>  <CAS Number> (1,913)
61270-78-8

$$$$
S3674 Levamlodipine.cdx
csChFnd80/07171813002D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,914)
3347

>  <Formula> (1,914)
C20H25ClN2O5

>  <MolWeight> (1,914)
408.8759

>  <Item Name> (1,914)
Levamlodipine

>  <Catalog Number> (1,914)
S3674

>  <Synonyms> (1,914)
S-amlodipine

>  <Target> (1,914)
calcium channel

>  <Form> (1,914)
free base

>  <URL> (1,914)
http://www.selleckchem.com/products/levamlodipine.html

>  <CAS Number> (1,914)
103129-82-4

$$$$
S3665 Trolox.cdx
csChFnd80/07171813002D

 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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 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,915)
3348

>  <Formula> (1,915)
C14H18O4

>  <MolWeight> (1,915)
250.29032

>  <Item Name> (1,915)
Trolox

>  <Catalog Number> (1,915)
S3665

>  <Synonyms> (1,915)
N/A

>  <Target> (1,915)
Vitamin

>  <Form> (1,915)
free base

>  <URL> (1,915)
http://www.selleckchem.com/products/trolox.html

>  <CAS Number> (1,915)
53188-07-1

$$$$
S3660 Uniconazole.cdx
csChFnd80/07171813002D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6377    6.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 11  6  1  0  0  0  0
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 16 15  2  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,916)
3350

>  <Formula> (1,916)
C15H18ClN3O

>  <MolWeight> (1,916)
291.77592

>  <Item Name> (1,916)
Uniconazole

>  <Catalog Number> (1,916)
S3660

>  <Synonyms> (1,916)
S 3307D, XE 1019D

>  <Target> (1,916)
cytochrome P450 707As

>  <Form> (1,916)
free base

>  <URL> (1,916)
http://www.selleckchem.com/products/uniconazole.html

>  <CAS Number> (1,916)
83657-22-1

$$$$
MKC-3946.cdx
csChFnd80/07171813002D

 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
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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  6 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,917)
3351

>  <Formula> (1,917)
C21H20N2O3S

>  <MolWeight> (1,917)
380.4601

>  <Item Name> (1,917)
MKC-3946

>  <Catalog Number> (1,917)
S8286

>  <Synonyms> (1,917)
N/A

>  <Target> (1,917)
IRE1¦Á endoribonuclease

>  <Form> (1,917)
free base

>  <URL> (1,917)
http://www.selleckchem.com/products/mkc-3946.html

>  <CAS Number> (1,917)
1093119-54-0

$$$$
S3690 Pargyline (hydrochloride).cdx
csChFnd80/07171813002D

 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
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    1.1986    1.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0583    1.3780    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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  6 10  1  0  0  0  0
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 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (1,918)
3352

>  <Formula> (1,918)
C11H14ClN

>  <MolWeight> (1,918)
195.68856

>  <Item Name> (1,918)
Pargyline hydrochloride

>  <Catalog Number> (1,918)
S3690

>  <Synonyms> (1,918)
Pargylamine hydrochloride

>  <Target> (1,918)
monoamine oxidase (MAO)-B

>  <Form> (1,918)
hydrochloride 

>  <URL> (1,918)
http://www.selleckchem.com/products/pargyline-hydrochloride.html

>  <CAS Number> (1,918)
306-07-0

$$$$
S3693 2,6-Dihydroxypurine.cdx
csChFnd80/07171813002D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
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  7  9  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,919)
3353

>  <Formula> (1,919)
C5H4N4O2

>  <MolWeight> (1,919)
152.11086

>  <Item Name> (1,919)
2,6-Dihydroxypurine

>  <Catalog Number> (1,919)
S3693

>  <Synonyms> (1,919)
xanthine, Isoxanthine

>  <Target> (1,919)
Others

>  <Form> (1,919)
free base

>  <URL> (1,919)
http://www.selleckchem.com/products/2-6-dihydroxypurine.html

>  <CAS Number> (1,919)
69-89-6

$$$$
S3688 2,4-Diamino-6-hydroxypyrimidine.cdx
csChFnd80/07171813002D

  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
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    2.4249    4.2000    0.0000 N   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
    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
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  6  9  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,920)
3354

>  <Formula> (1,920)
C4H6N4O

>  <MolWeight> (1,920)
126.11664

>  <Item Name> (1,920)
2,4-Diamino-6-hydroxypyrimidine

>  <Catalog Number> (1,920)
S3688

>  <Synonyms> (1,920)
DAHP

>  <Target> (1,920)
GTP cyclohydrolase I

>  <Form> (1,920)
free base

>  <URL> (1,920)
http://www.selleckchem.com/products/2-4-diamino-6-hydroxypyrimidine.html

>  <CAS Number> (1,920)
56-06-4

$$$$
S3713 Moxidectin.cdx
csChFnd80/07171813002D

 48 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,921)
3355

>  <Formula> (1,921)
C37H53NO8

>  <MolWeight> (1,921)
639.81862

>  <Item Name> (1,921)
Moxidectin

>  <Catalog Number> (1,921)
S3713

>  <Synonyms> (1,921)
milbemycin B

>  <Target> (1,921)
Antifection

>  <Form> (1,921)
free base

>  <URL> (1,921)
http://www.selleckchem.com/products/moxidectin.html

>  <CAS Number> (1,921)
113507-06-5

$$$$
S3728 Grazoprevir.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,922)
3359

>  <Formula> (1,922)
C38H50N6O9S

>  <MolWeight> (1,922)
766.9034

>  <Item Name> (1,922)
Grazoprevir

>  <Catalog Number> (1,922)
S3728

>  <Synonyms> (1,922)
MK5172

>  <Target> (1,922)
Hepatitis C Virus NS3/4A Protease

>  <Form> (1,922)
free base

>  <URL> (1,922)
http://www.selleckchem.com/products/grazoprevir.html

>  <CAS Number> (1,922)
1350514-68-9

$$$$
S3731 Tipiracil hydrochloride.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,923)
3361

>  <Formula> (1,923)
C9H12Cl2N4O2

>  <MolWeight> (1,923)
279.12318

>  <Item Name> (1,923)
Tipiracil hydrochloride

>  <Catalog Number> (1,923)
S3731

>  <Synonyms> (1,923)
MA-1 hydrochloride

>  <Target> (1,923)
thymidine phosphorylase

>  <Form> (1,923)
hydrochloride

>  <URL> (1,923)
http://www.selleckchem.com/products/tipiracil-hydrochloride.html

>  <CAS Number> (1,923)
183204-72-0

$$$$
S3641 Osalmid.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,924)
3367

>  <Formula> (1,924)
C13H11NO3

>  <MolWeight> (1,924)
229.23134

>  <Item Name> (1,924)
Osalmid

>  <Catalog Number> (1,924)
S3641

>  <Synonyms> (1,924)
N/A

>  <Target> (1,924)
ribonucleotide reductase

>  <Form> (1,924)
free base

>  <URL> (1,924)
http://www.selleckchem.com/products/osalmid.html

>  <CAS Number> (1,924)
526-18-1

$$$$
S3644 Sulfamonomethoxine.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,925)
3368

>  <Formula> (1,925)
C11H12N4O3S

>  <MolWeight> (1,925)
280.30298

>  <Item Name> (1,925)
Sulfamonomethoxine

>  <Catalog Number> (1,925)
S3644

>  <Synonyms> (1,925)
N/A

>  <Target> (1,925)
Antifection

>  <Form> (1,925)
free base

>  <URL> (1,925)
http://www.selleckchem.com/products/sulfamonomethoxine.html

>  <CAS Number> (1,925)
1220-83-3

$$$$
S3648 Amlexanox.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,926)
3370

>  <Formula> (1,926)
C16H14N2O4

>  <MolWeight> (1,926)
298.29336

>  <Item Name> (1,926)
Amlexanox

>  <Catalog Number> (1,926)
S3648

>  <Synonyms> (1,926)
AA-673, CHX-3673

>  <Target> (1,926)
TBK1,IKK-¦Å

>  <Form> (1,926)
free base

>  <URL> (1,926)
http://www.selleckchem.com/products/amlexanox.html

>  <CAS Number> (1,926)
68302-57-8

$$$$
S3649 Ceftazidime.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,927)
3371

>  <Formula> (1,927)
C22H22N6O7S2

>  <MolWeight> (1,927)
546.57608

>  <Item Name> (1,927)
Ceftazidime

>  <Catalog Number> (1,927)
S3649

>  <Synonyms> (1,927)
N/A

>  <Target> (1,927)
Antifection

>  <Form> (1,927)
inner salt

>  <URL> (1,927)
http://www.selleckchem.com/products/ceftazidime.html

>  <CAS Number> (1,927)
72558-82-8

$$$$
S3651 4-Amino-5-imidazolecarboxamide.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,928)
3372

>  <Formula> (1,928)
C4H6N4O

>  <MolWeight> (1,928)
126.11664

>  <Item Name> (1,928)
4-Amino-5-imidazolecarboxamide

>  <Catalog Number> (1,928)
S3651

>  <Synonyms> (1,928)
N/A

>  <Target> (1,928)
Others

>  <Form> (1,928)
free base

>  <URL> (1,928)
http://www.selleckchem.com/products/4-amino-5-imidazolecarboxamide.html

>  <CAS Number> (1,928)
360-97-4

$$$$
S3655 Cefepime (Dihydrochloride Monohydrate).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,929)
3374

>  <Formula> (1,929)
C19H28Cl2N6O6S2

>  <MolWeight> (1,929)
571.49822

>  <Item Name> (1,929)
Cefepime Dihydrochloride Monohydrate

>  <Catalog Number> (1,929)
S3655

>  <Synonyms> (1,929)
N/A

>  <Target> (1,929)
Antifection

>  <Form> (1,929)
dihydrochloride hydrate

>  <URL> (1,929)
http://www.selleckchem.com/products/cefepime-dihydrochloride-monohydrate.html

>  <CAS Number> (1,929)
123171-59-5

$$$$
S3656 Piribedil.cdx
csChFnd80/07171813002D

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    1.2143    2.8050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.7008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  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  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> (1,930)
3375

>  <Formula> (1,930)
C16H18N4O2

>  <MolWeight> (1,930)
298.33972

>  <Item Name> (1,930)
Piribedil

>  <Catalog Number> (1,930)
S3656

>  <Synonyms> (1,930)
Trivastal, Trivastan

>  <Target> (1,930)
D3 receptor,adrenoceptor ¦Á2,D2 receptor

>  <Form> (1,930)
free base

>  <URL> (1,930)
http://www.selleckchem.com/products/piribedil.html

>  <CAS Number> (1,930)
3605-01-4

$$$$
S3657 Promestriene.cdx
csChFnd80/07171813002D

 27 30  0  0  0  0  0  0  0  0999 V2000
    9.6808    2.1088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4594    2.7969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9023    2.7969    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6808    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   13.0111    3.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0316    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    2.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7268    5.9276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0867    6.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5888    0.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6808    3.4848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4594    1.3810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9023    1.3810    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 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
  7 14  1  1  0  0  0
  7 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 13 18  1  1  0  0  0
 13 15  1  0  0  0  0
 16 19  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,931)
3376

>  <Formula> (1,931)
C22H32O2

>  <MolWeight> (1,931)
328.48828

>  <Item Name> (1,931)
Promestriene

>  <Catalog Number> (1,931)
S3657

>  <Synonyms> (1,931)
3-propyl ethyl, 17B-methyl estradiol

>  <Target> (1,931)
Estrogen Receptor

>  <Form> (1,931)
free base

>  <URL> (1,931)
http://www.selleckchem.com/products/promestriene.html

>  <CAS Number> (1,931)
39219-28-8

$$$$
S3658 O6-Benzylguanine.cdx
csChFnd80/07171813002D

 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
    4.9604    2.5247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4399    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2201    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598    4.8799    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
    3.6598    6.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    6.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    6.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    8.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    8.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598    9.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  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
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,932)
3377

>  <Formula> (1,932)
C12H11N5O

>  <MolWeight> (1,932)
241.24864

>  <Item Name> (1,932)
O6-Benzylguanine

>  <Catalog Number> (1,932)
S3658

>  <Synonyms> (1,932)
O6-BG

>  <Target> (1,932)
O6-alkylguanine DNA alkyltransferase

>  <Form> (1,932)
free base

>  <URL> (1,932)
http://www.selleckchem.com/products/o6-benzylguanine.html

>  <CAS Number> (1,932)
19916-73-5

$$$$
S3662 Pirenzepine (dihydrochloride).cdx
csChFnd80/07171813002D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.3495    7.7811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6646    8.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2513    8.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0371    6.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2889    9.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4812    6.9519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2469   10.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0249    7.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0270    5.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7104    5.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6838   10.6240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6856    9.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8779    7.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3455   10.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  1  0  0  0  0
 11 14  1  0  0  0  0
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 13 18  2  0  0  0  0
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 15 20  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,933)
3379

>  <Formula> (1,933)
C19H23Cl2N5O2

>  <MolWeight> (1,933)
424.32422

>  <Item Name> (1,933)
Pirenzepine dihydrochloride

>  <Catalog Number> (1,933)
S3662

>  <Synonyms> (1,933)
N/A

>  <Target> (1,933)
AChR

>  <Form> (1,933)
dihydrochloride

>  <URL> (1,933)
http://www.selleckchem.com/products/pirenzepine-dihydrochlori

>  <CAS Number> (1,933)
29868-97-1

$$$$
S3673 Sulfaphenazole.cdx
csChFnd80/07171813002D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.4337    4.1941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2995    5.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4337    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5576    5.0232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9678    4.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7173    6.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6579    2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2346    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1227    6.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9806    5.5344    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6660    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2323    0.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9933    6.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848    4.5385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4541    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6401    6.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029    8.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    7.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872    8.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.4406    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  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,934)
3381

>  <Formula> (1,934)
C15H14N4O2S

>  <MolWeight> (1,934)
314.36226

>  <Item Name> (1,934)
Sulfaphenazole

>  <Catalog Number> (1,934)
S3673

>  <Synonyms> (1,934)
Depocid, Depotsulfonamide, Plisulfan, Raziosulfa

>  <Target> (1,934)
CYP2C9

>  <Form> (1,934)
free base

>  <URL> (1,934)
http://www.selleckchem.com/products/sulfaphenazole.html

>  <CAS Number> (1,934)
526-08-9

$$$$
S3695 Cystamine dihydrochloride.cdx
csChFnd80/07171813002D

 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> (1,935)
3382

>  <Formula> (1,935)
C4H14Cl2N2S2

>  <MolWeight> (1,935)
225.20336

>  <Item Name> (1,935)
Cystamine dihydrochloride

>  <Catalog Number> (1,935)
S3695

>  <Synonyms> (1,935)
Decarboxycystine dihydrochloride, 2-Aminoethyl disulfide dihydrochloride

>  <Target> (1,935)
Antifection

>  <Form> (1,935)
dihydrochloride

>  <URL> (1,935)
http://www.selleckchem.com/products/cystamine-dihydrochloride.html

>  <CAS Number> (1,935)
56-17-7

$$$$
S3711 Carbasalate Calcium.cdx
csChFnd80/07171813002D

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   10.5758    1.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,936)
3387

>  <Formula> (1,936)
C19H18CaN2O9

>  <MolWeight> (1,936)
458.43222

>  <Item Name> (1,936)
Carbasalate Calcium

>  <Catalog Number> (1,936)
S3711

>  <Synonyms> (1,936)
Iromin, Alcacyl, Omegin, Rheomin, Solupsan

>  <Target> (1,936)
platelet aggregation

>  <Form> (1,936)
calcium salt

>  <URL> (1,936)
http://www.selleckchem.com/products/carbasalate-calcium.html

>  <CAS Number> (1,936)
5749-67-7

$$$$
S3737 Cangrelor Tetrasodium.cdx
csChFnd80/07171813002D

 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
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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (1,937)
3388

>  <Formula> (1,937)
C17H21Cl2F3N5Na4O12P3S2

>  <MolWeight> (1,937)
864.2865126

>  <Item Name> (1,937)
Cangrelor Tetrasodium

>  <Catalog Number> (1,937)
S3737

>  <Synonyms> (1,937)
AR-C69931MX

>  <Target> (1,937)
P2Y12 receptor

>  <Form> (1,937)
tetrasodium salt

>  <URL> (1,937)
http://www.selleckchem.com/products/cangrelor-tetrasodium.html

>  <CAS Number> (1,937)
163706-36-3

$$$$
S3705 Chlorobutanol.cdx
csChFnd80/07171813002D

  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
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M  END
>  <Mol_ID> (1,938)
3391

>  <Formula> (1,938)
C4H7Cl3O

>  <MolWeight> (1,938)
177.45678

>  <Item Name> (1,938)
Chlorobutanol

>  <Catalog Number> (1,938)
S3705

>  <Synonyms> (1,938)
Chlorbutol, Chloreton, Chloretone, Chlortran|

>  <Target> (1,938)
Antifection

>  <Form> (1,938)
free base

>  <URL> (1,938)
http://www.selleckchem.com/products/chlorobutanol.html

>  <CAS Number> (1,938)
57-15-8

$$$$
S3717 Testosterone Enanthate.cdx
csChFnd80/07171813002D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,939)
3392

>  <Formula> (1,939)
C26H40O3

>  <MolWeight> (1,939)
400.594

>  <Item Name> (1,939)
Testosterone Enanthate

>  <Catalog Number> (1,939)
S3717

>  <Synonyms> (1,939)
Testosterone heptanoate, NSC-17591

>  <Target> (1,939)
androgen receptor

>  <Form> (1,939)
free base

>  <URL> (1,939)
http://www.selleckchem.com/products/testosterone-enanthate.html

>  <CAS Number> (1,939)
315-37-7

$$$$
S3719 Topiroxostat.cdx
csChFnd80/07171813002D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.1727    3.8444    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,940)
3395

>  <Formula> (1,940)
C13H8N6

>  <MolWeight> (1,940)
248.24282

>  <Item Name> (1,940)
Topiroxostat

>  <Catalog Number> (1,940)
S3719

>  <Synonyms> (1,940)
N/A

>  <Target> (1,940)
XOR

>  <Form> (1,940)
free base

>  <URL> (1,940)
http://www.selleckchem.com/products/topiroxostat.html

>  <CAS Number> (1,940)
577778-58-6

$$$$
S3722 Isavuconazole.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,941)
3398

>  <Formula> (1,941)
C22H17F2N5OS

>  <MolWeight> (1,941)
437.4650864

>  <Item Name> (1,941)
Isavuconazole

>  <Catalog Number> (1,941)
S3722

>  <Synonyms> (1,941)
BAL-4815, RO-0094815

>  <Target> (1,941)
Antifection

>  <Form> (1,941)
free base

>  <URL> (1,941)
http://www.selleckchem.com/products/isavuconazole.html

>  <CAS Number> (1,941)
241479-67-4

$$$$
S3724 Velpatasvir.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,942)
3400

>  <Formula> (1,942)
C49H54N8O8

>  <MolWeight> (1,942)
883.00186

>  <Item Name> (1,942)
Velpatasvir

>  <Catalog Number> (1,942)
S3724

>  <Synonyms> (1,942)
GS-5816

>  <Target> (1,942)
NS5A

>  <Form> (1,942)
free base

>  <URL> (1,942)
http://www.selleckchem.com/products/velpatasvir.html

>  <CAS Number> (1,942)
1377049-84-7

$$$$
S3735 Umeclidinium bromide.cdx
csChFnd80/07171813002D

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  1  2  1  0  0  0  0
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 19 26  1  0  0  0  0
 19 32  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,943)
3401

>  <Formula> (1,943)
C29H34BrNO2

>  <MolWeight> (1,943)
508.48976

>  <Item Name> (1,943)
Umeclidinium bromide

>  <Catalog Number> (1,943)
S3735

>  <Synonyms> (1,943)
N/A

>  <Target> (1,943)
mAChR

>  <Form> (1,943)
bromide

>  <URL> (1,943)
http://www.selleckchem.com/products/umeclidinium-bromide.html

>  <CAS Number> (1,943)
869113-09-7

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/07171813002D

 30 27  0  0  0  0  0  0  0  0999 V2000
    2.4236    2.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4212    4.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3855    6.3438    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,944)
3404

>  <Formula> (1,944)
C17H17N3Na2O8

>  <MolWeight> (1,944)
437.31172

>  <Item Name> (1,944)
Balsalazide disodium

>  <Catalog Number> (1,944)
S3745

>  <Synonyms> (1,944)
N/A

>  <Target> (1,944)
Immunology & Inflammation related

>  <Form> (1,944)
disodium salt dihydrate

>  <URL> (1,944)
http://www.selleckchem.com/products/balsalazide-disodium.html

>  <CAS Number> (1,944)
150399-21-6

$$$$
S3746 Lumefantrine.cdx
csChFnd80/07171813002D

 35 38  0  0  0  0  0  0  0  0999 V2000
    8.2154    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0267    8.7299    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 12  4  1  0  0  0  0
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 14  8  1  0  0  0  0
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 18  9  2  0  0  0  0
 13 10  2  0  0  0  0
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 34 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,945)
3405

>  <Formula> (1,945)
C30H32Cl3NO

>  <MolWeight> (1,945)
528.94018

>  <Item Name> (1,945)
Lumefantrine

>  <Catalog Number> (1,945)
S3746

>  <Synonyms> (1,945)
benflumetol

>  <Target> (1,945)
Antifection

>  <Form> (1,945)
free base

>  <URL> (1,945)
http://www.selleckchem.com/products/lumefantrine.html

>  <CAS Number> (1,945)
82186-77-4

$$$$
Diphenyleneiodonium chloride (DPI).cdx
csChFnd80/07171813002D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.9260    1.9972    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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 13  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,946)
3406

>  <Formula> (1,946)
C12H8ClI

>  <MolWeight> (1,946)
314.54939

>  <Item Name> (1,946)
Diphenyleneiodonium chloride (DPI)

>  <Catalog Number> (1,946)
S8639

>  <Synonyms> (1,946)
N/A

>  <Target> (1,946)
NADPH oxidase

>  <Form> (1,946)
chloride

>  <URL> (1,946)
http://www.selleckchem.com/products/diphenyleneiodonium-chloride-dpi.html

>  <CAS Number> (1,946)
4673-26-1

$$$$
S3689 Ethidium bromide.cdx
csChFnd80/07171813002D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 21 24  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,947)
3408

>  <Formula> (1,947)
C21H20BrN3

>  <MolWeight> (1,947)
394.3076

>  <Item Name> (1,947)
Ethidium bromide

>  <Catalog Number> (1,947)
S3689

>  <Synonyms> (1,947)
Homidium bromide, EtBr, EB

>  <Target> (1,947)
Others

>  <Form> (1,947)
bromide

>  <URL> (1,947)
http://www.selleckchem.com/products/ethidium-bromide.html

>  <CAS Number> (1,947)
1239-45-8

$$$$
S3707 Ethopabate.cdx
csChFnd80/07171813002D

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3410

>  <Formula> (1,948)
C12H15NO4

>  <MolWeight> (1,948)
237.2518

>  <Item Name> (1,948)
Ethopabate

>  <Catalog Number> (1,948)
S3707

>  <Synonyms> (1,948)
Ethyl pabate

>  <Target> (1,948)
Antifection

>  <Form> (1,948)
free base

>  <URL> (1,948)
http://www.selleckchem.com/products/ethopabate.html

>  <CAS Number> (1,948)
59-06-3

$$$$
S3708 Sulfachloropyridazine.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,949)
3411

>  <Formula> (1,949)
C10H9ClN4O2S

>  <MolWeight> (1,949)
284.72206

>  <Item Name> (1,949)
Sulfachloropyridazine

>  <Catalog Number> (1,949)
S3708

>  <Synonyms> (1,949)
N/A

>  <Target> (1,949)
Antifection

>  <Form> (1,949)
free base

>  <URL> (1,949)
http://www.selleckchem.com/products/sulfachloropyridazine.html

>  <CAS Number> (1,949)
80-32-0

$$$$
GNF-6231.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,950)
3415

>  <Formula> (1,950)
C24H25FN6O2

>  <MolWeight> (1,950)
448.4927032

>  <Item Name> (1,950)
GNF-6231

>  <Catalog Number> (1,950)
S8644

>  <Synonyms> (1,950)
N/A

>  <Target> (1,950)
Porcupine

>  <Form> (1,950)
free base

>  <URL> (1,950)
http://www.selleckchem.com/products/gnf-6231.html

>  <CAS Number> (1,950)
1243245-18-2

$$$$
LY2510924.cdx
csChFnd80/07171813002D

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LY2510924

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N/A

>  <Target> (1,951)
CXCR4

>  <Form> (1,951)
free base

>  <URL> (1,951)
http://www.selleckchem.com/products/ly2510924.html

>  <CAS Number> (1,951)
1088715-84-7

$$$$
S3642 Cesium chloride.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,952)
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>  <Formula> (1,952)
ClCs

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Cesium chloride

>  <Catalog Number> (1,952)
S3642

>  <Synonyms> (1,952)
CsCl

>  <Target> (1,952)
Others

>  <Form> (1,952)
inorganic salt

>  <URL> (1,952)
http://www.selleckchem.com/products/cesium-chloride.html

>  <CAS Number> (1,952)
7647-17-8

$$$$
S3685 4-Biphenylacetic acid.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,953)
3421

>  <Formula> (1,953)
C14H12O2

>  <MolWeight> (1,953)
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4-Biphenylacetic acid

>  <Catalog Number> (1,953)
S3685

>  <Synonyms> (1,953)
BPA

>  <Target> (1,953)
Immunology & Inflammation related

>  <Form> (1,953)
free base

>  <URL> (1,953)
http://www.selleckchem.com/products/4-biphenylacetic-acid.html

>  <CAS Number> (1,953)
5728-52-9

$$$$
Boceprevir (SCH 503034).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,954)
3424

>  <Formula> (1,954)
C27H45N5O5

>  <MolWeight> (1,954)
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>  <Item Name> (1,954)
Boceprevir

>  <Catalog Number> (1,954)
S3733

>  <Synonyms> (1,954)
N/A

>  <Target> (1,954)
hepatitis C virus (HCV) protease

>  <Form> (1,954)
free base

>  <URL> (1,954)
http://www.selleckchem.com/products/boceprevir.html

>  <CAS Number> (1,954)
394730-60-0

$$$$
S3680 NLRP3 Inflammasome Inhibitor I.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,955)
3426

>  <Formula> (1,955)
C16H17ClN2O4S

>  <MolWeight> (1,955)
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>  <Item Name> (1,955)
NLRP3 Inflammasome Inhibitor I

>  <Catalog Number> (1,955)
S3680

>  <Synonyms> (1,955)
N/A

>  <Target> (1,955)
NLRP3 inflammasome

>  <Form> (1,955)
free base

>  <URL> (1,955)
http://www.selleckchem.com/products/nlrp3-Inflammasome-inhibitor-i.html

>  <CAS Number> (1,955)
16673-34-0

$$$$
S3628 BHQ.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,956)
3428

>  <Formula> (1,956)
C14H22O2

>  <MolWeight> (1,956)
222.32328

>  <Item Name> (1,956)
BHQ

>  <Catalog Number> (1,956)
S3628

>  <Synonyms> (1,956)
2,5-di-t-butyl-1,4-benzohydroquinone

>  <Target> (1,956)
SERCA

>  <Form> (1,956)
free base

>  <URL> (1,956)
http://www.selleckchem.com/products/bhq.html

>  <CAS Number> (1,956)
88-58-4

$$$$
S3715 Boldenone Undecylenate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,957)
3429

>  <Formula> (1,957)
C30H44O3

>  <MolWeight> (1,957)
452.66856

>  <Item Name> (1,957)
Boldenone Undecylenate

>  <Catalog Number> (1,957)
S3715

>  <Synonyms> (1,957)
N/A

>  <Target> (1,957)
androgen receptor

>  <Form> (1,957)
free base

>  <URL> (1,957)
http://www.selleckchem.com/products/boldenone-undecylenate.html

>  <CAS Number> (1,957)
13103-34-9

$$$$
Rotenone.cdx
csChFnd80/07171813002D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,958)
3436

>  <Formula> (1,958)
C23H22O6

>  <MolWeight> (1,958)
394.41718

>  <Item Name> (1,958)
Rotenone (Barbasco)

>  <Catalog Number> (1,958)
S2348

>  <Synonyms> (1,958)
Barbasco, Dactinol, Paraderil, Rotenon, Rotocide

>  <Target> (1,958)
Antifection

>  <Form> (1,958)
free base

>  <URL> (1,958)
http://www.selleckchem.com/products/rotenone-barbasco.html

>  <CAS Number> (1,958)
83-79-4

$$$$
S3664 Flupenthixol dihydrochloride.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,959)
3440

>  <Formula> (1,959)
C23H27Cl2F3N2OS

>  <MolWeight> (1,959)
507.4394896

>  <Item Name> (1,959)
Flupenthixol dihydrochloride

>  <Catalog Number> (1,959)
S3664

>  <Synonyms> (1,959)
N/A

>  <Target> (1,959)
dopamine receptors

>  <Form> (1,959)
dihydrochloride

>  <URL> (1,959)
http://www.selleckchem.com/products/flupenthixol-dihydrochloride.html

>  <CAS Number> (1,959)
51529-01-2

$$$$
S3748 Acamprosate Calcium.cdx
csChFnd80/07171813002D

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A   12
?0.5Ca2+?
M  END
>  <Mol_ID> (1,960)
3442

>  <Formula> (1,960)
C5H10NO4RS-

>  <MolWeight> (1,960)
180.2022

>  <Item Name> (1,960)
Acamprosate CalciuM

>  <Catalog Number> (1,960)
S3748

>  <Synonyms> (1,960)
N-Acetylhomotaurine Calcium, calcium acetylhomotaurinate

>  <Target> (1,960)
GABA Receptor

>  <Form> (1,960)
calcium salt

>  <URL> (1,960)
http://www.selleckchem.com/products/acamprosate-calcium.html

>  <CAS Number> (1,960)
77337-73-6

$$$$
Colchicine.cdx
csChFnd80/07171813002D

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C22H25NO6

>  <MolWeight> (1,961)
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>  <Item Name> (1,961)
Colchicine

>  <Catalog Number> (1,961)
S2284

>  <Synonyms> (1,961)
Colchineos, Colchisol, Colcin

>  <Target> (1,961)
Microtubule Associated inhibitor 

>  <Form> (1,961)
free base

>  <URL> (1,961)
http://www.selleckchem.com/products/colchicine.html

>  <CAS Number> (1,961)
64-86-8

$$$$
Cinchonine.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,962)
3446

>  <Formula> (1,962)
C19H22N2O

>  <MolWeight> (1,962)
294.39078

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S2283

>  <Synonyms> (1,962)
N/A

>  <Target> (1,962)
Others

>  <Form> (1,962)
free base

>  <URL> (1,962)
http://www.selleckchem.com/products/cinchonine.html

>  <CAS Number> (1,962)
118-10-5

$$$$
S3666 Ilaprazole.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,963)
3449

>  <Formula> (1,963)
C19H18N4O2S

>  <MolWeight> (1,963)
366.43682

>  <Item Name> (1,963)
Ilaprazole

>  <Catalog Number> (1,963)
S3666

>  <Synonyms> (1,963)
IY-81149

>  <Target> (1,963)
Proton pump,TOPK 

>  <Form> (1,963)
free base

>  <URL> (1,963)
http://www.selleckchem.com/products/ilaprazole.html

>  <CAS Number> (1,963)
172152-36-2

$$$$
S3678 PTP Inhibitor II.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,964)
3450

>  <Formula> (1,964)
C9H9BrO2

>  <MolWeight> (1,964)
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>  <Item Name> (1,964)
PTP Inhibitor II

>  <Catalog Number> (1,964)
S3678

>  <Synonyms> (1,964)
NSC 129010, 4-(Bromoacetyl)anisole

>  <Target> (1,964)
PTP

>  <Form> (1,964)
free base

>  <URL> (1,964)
http://www.selleckchem.com/products/ptp-inhibitor-2.html

>  <CAS Number> (1,964)
2632-13-5

$$$$
S3643 Amitraz.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,965)
3451

>  <Formula> (1,965)
C19H23N3

>  <MolWeight> (1,965)
293.40602

>  <Item Name> (1,965)
Amitraz

>  <Catalog Number> (1,965)
S3643

>  <Synonyms> (1,965)
NSC 324552

>  <Target> (1,965)
¦Á2 adrenergic receptor

>  <Form> (1,965)
free base

>  <URL> (1,965)
http://www.selleckchem.com/products/amitraz.html

>  <CAS Number> (1,965)
33089-61-1

$$$$
FM-381.cdx
csChFnd80/07171813002D

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(3¦Â,13¦Î)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol

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free base

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$$$$
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Adenosine Dialdehyde (ADOX)

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>  <Synonyms> (1,972)
N/A

>  <Target> (1,972)
AdoHcy hydrolase

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free base

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34240-05-6

$$$$
C188-9.cdx
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STAT3

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free base

>  <URL> (1,973)
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>  <CAS Number> (1,973)
432001-19-9

$$$$
3PO.cdx
csChFnd80/07171813002D

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3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one

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PFKFB3

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free base

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18550-98-6

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csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,975)
3470

>  <Formula> (1,975)
C20H22ClN7O

>  <MolWeight> (1,975)
411.88798

>  <Item Name> (1,975)
BAY 1895344

>  <Catalog Number> (1,975)
S8666

>  <Synonyms> (1,975)
N/A

>  <Target> (1,975)
ATR

>  <Form> (1,975)
hydrochloride

>  <URL> (1,975)
http://www.selleckchem.com/products/bay-1895344.html

>  <CAS Number> (1,975)
1876467-74-1(free base)

$$$$
S3941 Pinocembrin.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,976)
3477

>  <Formula> (1,976)
C15H12O4

>  <MolWeight> (1,976)
256.25338

>  <Item Name> (1,976)
Pinocembrin

>  <Catalog Number> (1,976)
S3941

>  <Synonyms> (1,976)
Pinocembrin

>  <Target> (1,976)
Antifection

>  <Form> (1,976)
free base

>  <URL> (1,976)
http://www.selleckchem.com/products/pinocembrin.html

>  <CAS Number> (1,976)
480-39-7

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/07171813002D

 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
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  1  2  1  0  0  0  0
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>  <Mol_ID> (1,977)
3502

>  <Formula> (1,977)
C6H13NO4

>  <MolWeight> (1,977)
163.17172

>  <Item Name> (1,977)
1-Deoxynojirimycin

>  <Catalog Number> (1,977)
S3839

>  <Synonyms> (1,977)
duvoglustat, moranolin

>  <Target> (1,977)
¦Á-glucosidase

>  <Form> (1,977)
free base

>  <URL> (1,977)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

>  <CAS Number> (1,977)
19130-96-2

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,978)
3506

>  <Formula> (1,978)
C13H13ClN2O

>  <MolWeight> (1,978)
248.70812

>  <Item Name> (1,978)
Harmine hydrochloride

>  <Catalog Number> (1,978)
S3817

>  <Synonyms> (1,978)
telepathine hydrochloride

>  <Target> (1,978)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (1,978)
hydrochloride

>  <URL> (1,978)
http://www.selleckchem.com/products/harmine-hydrochloride.html

>  <CAS Number> (1,978)
343-27-1

$$$$
S3833 Amentoflavone.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,979)
3518

>  <Formula> (1,979)
C30H18O10

>  <MolWeight> (1,979)
538.45792

>  <Item Name> (1,979)
Amentoflavone

>  <Catalog Number> (1,979)
S3833

>  <Synonyms> (1,979)
Didemethyl Ginkgetin

>  <Target> (1,979)
Others

>  <Form> (1,979)
free base

>  <URL> (1,979)
http://www.selleckchem.com/products/amentoflavone.html

>  <CAS Number> (1,979)
1617-53-4

$$$$
S3835 Loganin.cdx
csChFnd80/07171813002D

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  4 29  1  1  0  0  0
M  END
>  <Mol_ID> (1,980)
3520

>  <Formula> (1,980)
C17H26O10

>  <MolWeight> (1,980)
390.38234

>  <Item Name> (1,980)
Loganin

>  <Catalog Number> (1,980)
S3835

>  <Synonyms> (1,980)
Loganoside

>  <Target> (1,980)
AChE,BACE1,BChE

>  <Form> (1,980)
free base

>  <URL> (1,980)
http://www.selleckchem.com/products/loganin.html

>  <CAS Number> (1,980)
18524-94-2

$$$$
S3841 Eleutheroside B.cdx
csChFnd80/07171813002D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.0606    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,981)
3524

>  <Formula> (1,981)
C17H24O9

>  <MolWeight> (1,981)
372.36706

>  <Item Name> (1,981)
Eleutheroside B

>  <Catalog Number> (1,981)
S3841

>  <Synonyms> (1,981)
syringin, Syringoside, Lilacin

>  <Target> (1,981)
Others

>  <Form> (1,981)
free base

>  <URL> (1,981)
http://www.selleckchem.com/products/eleutheroside-b.html

>  <CAS Number> (1,981)
118-34-3

$$$$
S3968 Histamine.cdx
csChFnd80/07171813002D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,982)
3528

>  <Formula> (1,982)
C5H9N3

>  <MolWeight> (1,982)
111.14506

>  <Item Name> (1,982)
Histamine

>  <Catalog Number> (1,982)
S3968

>  <Synonyms> (1,982)
N/A

>  <Target> (1,982)
Histamine receptor

>  <Form> (1,982)
free base

>  <URL> (1,982)
http://www.selleckchem.com/products/histamine.html

>  <CAS Number> (1,982)
51-45-6

$$$$
S3758 Sinomenine hydrochloride.cdx
csChFnd80/07171813002D

 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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M  CFW  27 BOND_GSTEREO 4
M  END
>  <Mol_ID> (1,983)
3543

>  <Formula> (1,983)
C19H24ClNO4

>  <MolWeight> (1,983)
365.85116

>  <Item Name> (1,983)
Sinomenine hydrochloride

>  <Catalog Number> (1,983)
S3758

>  <Synonyms> (1,983)
Cucoline hydrochloride, Kukoline hydrochloride, Sabianine A hydrochloride

>  <Target> (1,983)
Immunology & Inflammation

>  <Form> (1,983)
hydrochloride

>  <URL> (1,983)
http://www.selleckchem.com/products/sinomenine-hydrochloride.html

>  <CAS Number> (1,983)
6080-33-7

$$$$
S3780 Secoisolariciresinol diglucoside.cdx
csChFnd80/07171813002D

 48 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,984)
3554

>  <Formula> (1,984)
C32H46O16

>  <MolWeight> (1,984)
686.69804

>  <Item Name> (1,984)
Secoisolariciresinol diglucoside

>  <Catalog Number> (1,984)
S3780

>  <Synonyms> (1,984)
N/A

>  <Target> (1,984)
Others

>  <Form> (1,984)
free base

>  <URL> (1,984)
http://www.selleckchem.com/products/secoisolariciresinol-diglucoside.html

>  <CAS Number> (1,984)
148244-82-0

$$$$
S3929 Liquiritigenin.cdx
csChFnd80/07171813002D

 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
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    2.4248    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  2  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 15 18  1  0  0  0  0
  1 12  1  1  0  0  0
  8 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,985)
3558

>  <Formula> (1,985)
C15H12O4

>  <MolWeight> (1,985)
256.25338

>  <Item Name> (1,985)
Liquiritigenin

>  <Catalog Number> (1,985)
S3929

>  <Synonyms> (1,985)
4',7-Dihydroxyflavanone

>  <Target> (1,985)
ER¦Â,VEGF

>  <Form> (1,985)
free base

>  <URL> (1,985)
http://www.selleckchem.com/products/liquiritigenin.html

>  <CAS Number> (1,985)
578-86-9

$$$$
S4766 Gibberellic acid.cdx
csChFnd80/07171813002D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.0513    4.4188    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4356    4.5089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7071    3.0620    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3133    5.5568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0542    5.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9478    3.2067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3077    5.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    2.3267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3503    2.6905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7139    4.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6971    5.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3479    3.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9137    1.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6921    5.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2010    0.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3491    3.6720    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0100    4.6769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2159    4.1022    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4036    2.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5502    0.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2038    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5729    4.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6003    1.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4960    1.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1012    1.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0733    5.8612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 25  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  1  0  0  0
  6  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  1  0  0  0
  9 16  1  0  0  0  0
  9 10  1  6  0  0  0
  9 26  1  0  0  0  0
 10 17  2  0  0  0  0
 11 16  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  1  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  1  0  0  0
 18 23  1  6  0  0  0
 18 19  1  1  0  0  0
 19 24  2  0  0  0  0
  2 27  1  1  0  0  0
M  CFW  22 BOND_GSTEREO 5
M  END
>  <Mol_ID> (1,986)
3577

>  <Formula> (1,986)
C19H22O6

>  <MolWeight> (1,986)
346.37438

>  <Item Name> (1,986)
Gibberellic acid

>  <Catalog Number> (1,986)
S4766

>  <Synonyms> (1,986)
Gibberellin, Gibberellin A3, GA3

>  <Target> (1,986)
Others

>  <Form> (1,986)
free base

>  <URL> (1,986)
http://www.selleckchem.com/products/gibberellic-acid.html

>  <CAS Number> (1,986)
77-06-5

$$$$
S3945 L-Cycloserine.cdx
csChFnd80/07171813002D

  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> (1,987)
3581

>  <Formula> (1,987)
C3H6N2O2

>  <MolWeight> (1,987)
102.09194

>  <Item Name> (1,987)
L-Cycloserine

>  <Catalog Number> (1,987)
S3945

>  <Synonyms> (1,987)
Levcycloserine, Levcicloserina, Levcycloserinum, (-)-Cycloserine, (S)-Cycloserine

>  <Target> (1,987)
3-ketodihydrosphingosine synthetase

>  <Form> (1,987)
free base

>  <URL> (1,987)
http://www.selleckchem.com/products/l-cycloserine.html

>  <CAS Number> (1,987)
339-72-0

$$$$
S3979 Zinc Undecylenate.cdx
csChFnd80/07171813002D

 27 24  0  0  0  0  0  0  0  0999 V2000
   14.4179    1.7498    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   13.3505    3.0039    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1744    3.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9389    3.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1744    5.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7272    3.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    3.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2805    3.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0570    3.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8573    3.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    3.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4457    3.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    3.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0105    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3400    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1638    0.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9284    0.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1638    2.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7166    0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4698    0.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2699    0.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    0.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    0.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    0.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4352    0.9532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999    0.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,988)
3584

>  <Formula> (1,988)
C22H38O4Zn

>  <MolWeight> (1,988)
431.92472

>  <Item Name> (1,988)
Zinc Undecylenate

>  <Catalog Number> (1,988)
S3979

>  <Synonyms> (1,988)
Zinc diundec-10-enoate, Zinc 10-undecenoate

>  <Target> (1,988)
Antifection

>  <Form> (1,988)
zinc salt

>  <URL> (1,988)
http://www.selleckchem.com/products/zinc-undecylenate.html

>  <CAS Number> (1,988)
557-08-4

$$$$
S3812 Monocrotaline.cdx
csChFnd80/07171813002D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.8705    1.8541    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5374    2.2873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8705    0.4543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2038    2.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7166    1.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0290    3.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5374    0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2081    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0246    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8122    3.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9040    4.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0248    4.6873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3956    5.9788    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2831    4.4663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6413    5.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2707    7.0705    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081    7.0747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0330    6.0498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3623    8.4787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998    7.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0372    7.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7830    8.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8789    3.2707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 24  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  6  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  1  0  0  0
 16 21  1  6  0  0  0
 16 18  1  0  0  0  0
 18 22  1  6  0  0  0
 18 23  1  1  0  0  0
M  END
>  <Mol_ID> (1,989)
3586

>  <Formula> (1,989)
C16H23NO6

>  <MolWeight> (1,989)
325.35692

>  <Item Name> (1,989)
Monocrotaline

>  <Catalog Number> (1,989)
S3812

>  <Synonyms> (1,989)
Crotaline

>  <Target> (1,989)
Others

>  <Form> (1,989)
free base

>  <URL> (1,989)
http://www.selleckchem.com/products/monocrotaline.html

>  <CAS Number> (1,989)
315-22-0

$$$$
S3888 3,4`,5-Trimethoxy-trans-stilbene.cdx
csChFnd80/07171813002D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8487    4.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    4.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    2.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0609    4.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6311    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    4.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6311    0.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4867    4.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4187    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4867    6.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6955    4.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7074    7.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9027    4.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9195    6.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1255    7.0054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3323    6.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,990)
3590

>  <Formula> (1,990)
C17H18O3

>  <MolWeight> (1,990)
270.32302

>  <Item Name> (1,990)
3,4',5-Trimethoxy-trans-stilbene

>  <Catalog Number> (1,990)
S3888

>  <Synonyms> (1,990)
MR-3

>  <Target> (1,990)
Others

>  <Form> (1,990)
free base

>  <URL> (1,990)
http://www.selleckchem.com/products/3-4-5-trimethoxy-trans-stilbene.html

>  <CAS Number> (1,990)
22255-22-7

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,991)
3595

>  <Formula> (1,991)
C17H15N9

>  <MolWeight> (1,991)
345.3613

>  <Item Name> (1,991)
Savolitinib(AZD6094, HMPL-504)

>  <Catalog Number> (1,991)
S7674

>  <Synonyms> (1,991)
Volitinib

>  <Target> (1,991)
MET

>  <Form> (1,991)
free base

>  <URL> (1,991)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

>  <CAS Number> (1,991)
1313725-88-0

$$$$
S3881 Scopoletin.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,992)
3601

>  <Formula> (1,992)
C10H8O4

>  <MolWeight> (1,992)
192.16812

>  <Item Name> (1,992)
Scopoletin

>  <Catalog Number> (1,992)
S3881

>  <Synonyms> (1,992)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (1,992)
Immunology & Inflammation related

>  <Form> (1,992)
free base

>  <URL> (1,992)
http://www.selleckchem.com/products/scopoletin.html

>  <CAS Number> (1,992)
92-61-5

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (1,993)
3605

>  <Formula> (1,993)
C14H27NaO5S

>  <MolWeight> (1,993)
330.41595

>  <Item Name> (1,993)
Sodium Houttuyfonate

>  <Catalog Number> (1,993)
S3801

>  <Synonyms> (1,993)
N/A

>  <Target> (1,993)
Antifection

>  <Form> (1,993)
sodium salt

>  <URL> (1,993)
http://www.selleckchem.com/products/sodium-houttuyfonate.html

>  <CAS Number> (1,993)
1847-58-1

$$$$
S3807 Dehydroandrographolide.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (1,994)
3609

>  <Formula> (1,994)
C20H28O4

>  <MolWeight> (1,994)
332.43392

>  <Item Name> (1,994)
Dehydroandrographolide

>  <Catalog Number> (1,994)
S3807

>  <Synonyms> (1,994)
N/A

>  <Target> (1,994)
Others

>  <Form> (1,994)
free base

>  <URL> (1,994)
http://www.selleckchem.com/products/dehydroandrographolide.html

>  <CAS Number> (1,994)
134418-28-3

$$$$
S3919 Hederacoside C.cdx
csChFnd80/07171813002D

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FGFR4

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free base

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http://www.selleckchem.com/products/h3b-6527.html

>  <CAS Number> (1,998)
1702259-66-2

$$$$
S3681.cdx
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Tocopherol acetate

>  <Target> (1,999)
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free base

>  <URL> (1,999)
http://www.selleckchem.com/products/vitamin-e-acetate.html

>  <CAS Number> (1,999)
58-95-7

$$$$
S3926 Forsythin.cdx
csChFnd80/07171813002D

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>  <Formula> (2,000)
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>  <MolWeight> (2,000)
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>  <Item Name> (2,000)
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>  <CAS Number> (2,000)
487-41-2

$$$$
S3907 Bulleyaconi cine A.cdx
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    8.6314    8.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4421    3.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2174    2.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6021    2.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1470    1.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3024    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    2.5336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3726    7.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4021    1.5256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4057    4.9082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 46  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 47  1  1  0  0  0
  5 12  1  0  0  0  0
  5 13  1  6  0  0  0
  6 14  1  6  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  6  0  0  0
  7  8  1  0  0  0  0
  8 18  1  0  0  0  0
  8 48  1  1  0  0  0
  9 19  1  0  0  0  0
  9 14  1  0  0  0  0
 10 20  1  0  0  0  0
 10 18  1  0  0  0  0
 10 49  1  1  0  0  0
 11 21  1  0  0  0  0
 12 15  1  0  0  0  0
 13 22  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  1  0  0  0
 19 27  1  0  0  0  0
 20 28  1  6  0  0  0
 20 21  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  1  1  0  0  0
 23 31  1  0  0  0  0
 25 29  1  0  0  0  0
 26 32  1  0  0  0  0
 28 33  1  0  0  0  0
 28 34  2  0  0  0  0
 29 35  1  1  0  0  0
 32 36  1  0  0  0  0
 32 37  2  0  0  0  0
 33 38  2  0  0  0  0
 33 39  1  0  0  0  0
 35 40  1  0  0  0  0
 38 41  1  0  0  0  0
 39 42  2  0  0  0  0
 41 43  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
>  <Mol_ID> (2,001)
3661

>  <Formula> (2,001)
C35H49NO9

>  <MolWeight> (2,001)
627.76486

>  <Item Name> (2,001)
Bulleyaconi cine A

>  <Catalog Number> (2,001)
S3907

>  <Synonyms> (2,001)
Bulleyaconitine A, Bulleyaconi cine A

>  <Target> (2,001)
Sodium channel

>  <Form> (2,001)
free base

>  <URL> (2,001)
http://www.selleckchem.com/products/bulleyaconi-cine-a.html

>  <CAS Number> (2,001)
107668-79-1

$$$$
S3866 Galanthamine.cdx
csChFnd80/07171813002D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.9209    2.7509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6020    2.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8272    1.3780    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1920    1.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3779    3.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0925    0.6475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891    1.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7594    3.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6392    1.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7380    3.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0228    5.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3545    2.0604    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7722    5.7820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4295    2.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3429    0.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6598    7.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6984    0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6017    5.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1961    3.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5583    4.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  5  2  0  0  0  0
  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  6  0  0  0
  4  9  2  0  0  0  0
  4  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 12  1  0  0  0  0
 21  8  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 12 19  1  1  0  0  0
 13 16  1  0  0  0  0
 13 20  1  0  0  0  0
 15 17  1  0  0  0  0
 21  1  1  0  0  0  0
  1 22  1  6  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,002)
3674

>  <Formula> (2,002)
C17H21NO3

>  <MolWeight> (2,002)
287.35354

>  <Item Name> (2,002)
Galanthamine

>  <Catalog Number> (2,002)
S3866

>  <Synonyms> (2,002)
Nivalin, Razadyne, Razadyne ER, Reminyl, Lycoremine

>  <Target> (2,002)
acetylcholinesterase

>  <Form> (2,002)
free base

>  <URL> (2,002)
http://www.selleckchem.com/products/galanthamine.html

>  <CAS Number> (2,002)
357-70-0

$$$$
S3867 Cardamoni.cdx
csChFnd80/07171813002D

 20 21  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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    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
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    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
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  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
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,003)
3675

>  <Formula> (2,003)
C16H14O4

>  <MolWeight> (2,003)
270.27996

>  <Item Name> (2,003)
Cardamonin

>  <Catalog Number> (2,003)
S3867

>  <Synonyms> (2,003)
Alpinetin chalcone

>  <Target> (2,003)
hTRPA1

>  <Form> (2,003)
free base

>  <URL> (2,003)
http://www.selleckchem.com/products/cardamonin.html

>  <CAS Number> (2,003)
19309-14-9

$$$$
S3868 Harmine.cdx
csChFnd80/07171813002D

 16 18  0  0  0  0  0  0  0  0999 V2000
    6.3186    2.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9463    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0313    1.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0112    3.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8022    0.7093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8238    2.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0983    0.1451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4312    1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4198    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5527    0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5494    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1355    2.4085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4087    0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1357    0.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,004)
3676

>  <Formula> (2,004)
C13H12N2O

>  <MolWeight> (2,004)
212.24718

>  <Item Name> (2,004)
Harmine

>  <Catalog Number> (2,004)
S3868

>  <Synonyms> (2,004)
telepathine

>  <Target> (2,004)
PPAR¦Ã,MAO-A

>  <Form> (2,004)
free base

>  <URL> (2,004)
http://www.selleckchem.com/products/harmine.html

>  <CAS Number> (2,004)
442-51-3

$$$$
S3869 Methyl protocatechuate.cdx
csChFnd80/07171813002D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6226    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    2.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    2.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0450    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0203    2.7972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2636    2.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,005)
3677

>  <Formula> (2,005)
C8H8O4

>  <MolWeight> (2,005)
168.14672

>  <Item Name> (2,005)
Methyl protocatechuate

>  <Catalog Number> (2,005)
S3869

>  <Synonyms> (2,005)
Methyl 3,4-dihydroxybenzoate; 3,4-Dihydroxybenzoic acid methyl ester

>  <Target> (2,005)
Others

>  <Form> (2,005)
free base

>  <URL> (2,005)
http://www.selleckchem.com/products/methyl-protocatechuate.html

>  <CAS Number> (2,005)
2150-43-8

$$$$
S3850 Glucosamine sulfate.cdx
csChFnd80/07171813002D

 17 15  0  0  0  0  0  0  0  0999 V2000
    3.9139    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3139    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5139    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.1413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.1413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    8.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.7413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  6  0  0  0
  7 10  1  0  0  0  0
  7 11  1  6  0  0  0
  8 12  1  0  0  0  0
  8 13  1  6  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,006)
3680

>  <Formula> (2,006)
C6H15NO9S

>  <MolWeight> (2,006)
277.2496

>  <Item Name> (2,006)
Glucosamine sulfate

>  <Catalog Number> (2,006)
S3850

>  <Synonyms> (2,006)
D-Glucosaminesulfate, D-Glucosamine sulphate

>  <Target> (2,006)
Others

>  <Form> (2,006)
sulfate

>  <URL> (2,006)
http://www.selleckchem.com/products/glucosamine-sulfate.html

>  <CAS Number> (2,006)
29031-19-4

$$$$
S3898 Hydroxy Camptothecine.cdx
csChFnd80/07171813002D

 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
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>  <Mol_ID> (2,007)
3693

>  <Formula> (2,007)
C20H16N2O5

>  <MolWeight> (2,007)
364.35144

>  <Item Name> (2,007)
Hydroxy Camptothecine

>  <Catalog Number> (2,007)
S3898

>  <Synonyms> (2,007)
10-Hydroxycamptothecin, Hydroxycamptothecine

>  <Target> (2,007)
DNA topoisomerase I

>  <Form> (2,007)
free base

>  <URL> (2,007)
http://www.selleckchem.com/products/hydroxy-camptothecine.html

>  <CAS Number> (2,007)
64439-81-2

$$$$
Takinib.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (2,008)
3712

>  <Formula> (2,008)
C18H18N4O2

>  <MolWeight> (2,008)
322.36112

>  <Item Name> (2,008)
Takinib

>  <Catalog Number> (2,008)
S8663

>  <Synonyms> (2,008)
EDHS-206

>  <Target> (2,008)
TAK1,IRAK4,IRAK1

>  <Form> (2,008)
free base

>  <URL> (2,008)
http://www.selleckchem.com/products/takinib.html

>  <CAS Number> (2,008)
1111556-37-6

$$$$
CA3.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (2,009)
3713

>  <Formula> (2,009)
C23H27N3O5S2

>  <MolWeight> (2,009)
489.60758

>  <Item Name> (2,009)
CA3

>  <Catalog Number> (2,009)
S8661

>  <Synonyms> (2,009)
N/A

>  <Target> (2,009)
YAP/TEAD interaction

>  <Form> (2,009)
free base

>  <URL> (2,009)
http://www.selleckchem.com/products/ca3.html

>  <CAS Number> (2,009)
300802-28-2

$$$$
S3818 Tectoridin.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (2,010)
3716

>  <Formula> (2,010)
C22H22O11

>  <MolWeight> (2,010)
462.40348

>  <Item Name> (2,010)
Tectoridin

>  <Catalog Number> (2,010)
S3818

>  <Synonyms> (2,010)
Shekanin

>  <Target> (2,010)
Others

>  <Form> (2,010)
free base

>  <URL> (2,010)
http://www.selleckchem.com/products/tectoridin.html

>  <CAS Number> (2,010)
611-40-5

$$$$
IDO inhibitor 1.cdx
csChFnd80/07171813002D

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 22 24  1  0  0  0  0
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M  END
>  <Mol_ID> (2,011)
3723

>  <Formula> (2,011)
C29H35N7O

>  <MolWeight> (2,011)
497.6345

>  <Item Name> (2,011)
IDO inhibitor 1

>  <Catalog Number> (2,011)
S8557

>  <Synonyms> (2,011)
N/A

>  <Target> (2,011)
IDO

>  <Form> (2,011)
free base

>  <URL> (2,011)
http://www.selleckchem.com/products/mucic-acid.html

>  <CAS Number> (2,011)
1668565-74-9

$$$$
S4779 Menadiol Diacetate.cdx
csChFnd80/07171813002D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4206    5.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,012)
3734

>  <Formula> (2,012)
C15H14O4

>  <MolWeight> (2,012)
258.26926

>  <Item Name> (2,012)
Menadiol Diacetate

>  <Catalog Number> (2,012)
S4779

>  <Synonyms> (2,012)
Vitamin K4, Acetomenaphthone, Kapilin

>  <Target> (2,012)
Others

>  <Form> (2,012)
free base

>  <URL> (2,012)
http://www.selleckchem.com/products/menadiol-diacetate.html

>  <CAS Number> (2,012)
573-20-6

$$$$
S4781 Xanthoxyline.cdx
csChFnd80/07171813002D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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M  END
>  <Mol_ID> (2,013)
3736

>  <Formula> (2,013)
C10H12O4

>  <MolWeight> (2,013)
196.19988

>  <Item Name> (2,013)
Xanthoxyline

>  <Catalog Number> (2,013)
S4781

>  <Synonyms> (2,013)
Brevifolin

>  <Target> (2,013)
Others

>  <Form> (2,013)
free base

>  <URL> (2,013)
http://www.selleckchem.com/products/xanthoxyline.html

>  <CAS Number> (2,013)
90-24-4

$$$$
S4769 L-5-Hydroxytryptophan.cdx
csChFnd80/07171813002D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,014)
3744

>  <Formula> (2,014)
C11H12N2O3

>  <MolWeight> (2,014)
220.22458

>  <Item Name> (2,014)
L-5-Hydroxytryptophan

>  <Catalog Number> (2,014)
S4769

>  <Synonyms> (2,014)
L-oxitriptan

>  <Target> (2,014)
Others

>  <Form> (2,014)
free base

>  <URL> (2,014)
http://www.selleckchem.com/products/l-5-hydroxytryptophan.html

>  <CAS Number> (2,014)
4350-09-8

$$$$
S4775 Cortodoxone.cdx
csChFnd80/07171813002D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.3181    2.8186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.3181    4.2165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10 15  1  0  0  0  0
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M  END
>  <Mol_ID> (2,015)
3750

>  <Formula> (2,015)
C21H30O4

>  <MolWeight> (2,015)
346.4605

>  <Item Name> (2,015)
Cortodoxone

>  <Catalog Number> (2,015)
S4775

>  <Synonyms> (2,015)
11-Deoxycortisol, cortexolone, 11-Desoxycortisol, 17¦Á,21-dihydroxyprogesterone

>  <Target> (2,015)
Glucocorticoid Receptor

>  <Form> (2,015)
free base

>  <URL> (2,015)
http://www.selleckchem.com/products/cortodoxone.html

>  <CAS Number> (2,015)
152-58-9

$$$$
S4777 Plumbagin.cdx
csChFnd80/07171813002D

 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
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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M  END
>  <Mol_ID> (2,016)
3752

>  <Formula> (2,016)
C11H8O3

>  <MolWeight> (2,016)
188.17942

>  <Item Name> (2,016)
Plumbagin

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$$$$
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5465-86-1

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M  END
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3804

>  <Formula> (2,022)
C15H10O2

>  <MolWeight> (2,022)
222.2387

>  <Item Name> (2,022)
Flavone

>  <Catalog Number> (2,022)
S3967

>  <Synonyms> (2,022)
 2-Phenylchromone, 2-Phenyl-4-chromone, 2-Phenyl-4-benzopyron

>  <Target> (2,022)
Others

>  <Form> (2,022)
free base

>  <URL> (2,022)
http://www.selleckchem.com/products/flavone.html

>  <CAS Number> (2,022)
525-82-6

$$$$
CEFTIN (cefuroxime axetil).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (2,023)
3810

>  <Formula> (2,023)
C20H22N4O10S

>  <MolWeight> (2,023)
510.47448

>  <Item Name> (2,023)
Cefuroxime axetil

>  <Catalog Number> (2,023)
S4813

>  <Synonyms> (2,023)
N/A

>  <Target> (2,023)
Antifection

>  <Form> (2,023)
free base

>  <URL> (2,023)
http://www.selleckchem.com/products/cefuroxime-axetil.html

>  <CAS Number> (2,023)
64544-07-6

$$$$
UNC0642.cdx
csChFnd80/07171813002D

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3819

>  <Formula> (2,024)
C29H44F2N6O2

>  <MolWeight> (2,024)
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>  <Item Name> (2,024)
UNC0642

>  <Catalog Number> (2,024)
S7230

>  <Synonyms> (2,024)
N/A

>  <Target> (2,024)
G9a,GLP

>  <Form> (2,024)
free base

>  <URL> (2,024)
http://www.selleckchem.com/products/unc0642.html

>  <CAS Number> (2,024)
1481677-78-4

$$$$
S3987 L-Tryptophan.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (2,025)
3823

>  <Formula> (2,025)
C11H12N2O2

>  <MolWeight> (2,025)
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>  <Item Name> (2,025)
L-Tryptophan

>  <Catalog Number> (2,025)
S3987

>  <Synonyms> (2,025)
N/A

>  <Target> (2,025)
Others

>  <Form> (2,025)
free base

>  <URL> (2,025)
http://www.selleckchem.com/products/l-tryptophan.html

>  <CAS Number> (2,025)
73-22-3

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/07171813002D

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 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,026)
3824

>  <Formula> (2,026)
C9H10N4O4

>  <MolWeight> (2,026)
238.2001

>  <Item Name> (2,026)
Theophylline-7-acetic acid

>  <Catalog Number> (2,026)
S3988

>  <Synonyms> (2,026)
Acefylline, acetyloxytheophylline, Carboxymethyltheophylline

>  <Target> (2,026)
adenosine receptor

>  <Form> (2,026)
free base

>  <URL> (2,026)
http://www.selleckchem.com/products/theophylline-7-acetic.html

>  <CAS Number> (2,026)
652-37-9

$$$$
S3996 Thioctic acid.cdx
csChFnd80/07171813002D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.2085    1.6794    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9567    2.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0418    0.2839    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4206    2.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6633    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6374    1.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8472    2.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0605    1.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2721    2.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4839    1.6745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2721    3.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,027)
3832

>  <Formula> (2,027)
C8H14O2S2

>  <MolWeight> (2,027)
206.32556

>  <Item Name> (2,027)
Thioctic acid

>  <Catalog Number> (2,027)
S3996

>  <Synonyms> (2,027)
DL-¦Á-Lipoic Acid

>  <Target> (2,027)
Others

>  <Form> (2,027)
free base

>  <URL> (2,027)
http://www.selleckchem.com/products/thioctic-acid.html

>  <CAS Number> (2,027)
1077-28-7

$$$$
2-D08.cdx
csChFnd80/07171813002D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,028)
3856

>  <Formula> (2,028)
C15H10O5

>  <MolWeight> (2,028)
270.2369

>  <Item Name> (2,028)
2-D08
2-D08

>  <Catalog Number> (2,028)
S8696

>  <Synonyms> (2,028)
2',3',4'-trihydroxy flavone

>  <Target> (2,028)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (2,028)
free base

>  <URL> (2,028)
http://selleckchem.com/products/2-d08.html

>  <CAS Number> (2,028)
144707-18-6

$$$$
S3074 Chlortalidone.cdx
csChFnd80/07171813002D

 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> (2,029)
3857

>  <Formula> (2,029)
C14H11ClN2O4S

>  <MolWeight> (2,029)
338.76614

>  <Item Name> (2,029)
Chlorthalidone

>  <Catalog Number> (2,029)
S3074

>  <Synonyms> (2,029)
Chlortalidone

>  <Target> (2,029)
Others

>  <Form> (2,029)
free base

>  <URL> (2,029)
http://selleckchem.com/products/chlorthalidone-chlortalidone.html

>  <CAS Number> (2,029)
77-36-1

$$$$
S4989 Aminooxyacetic acid hemihydrochloride.cdx
csChFnd80/07171813002D

  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> (2,030)
3863

>  <Formula> (2,030)
C2H5NO3R

>  <MolWeight> (2,030)
91.066

>  <Item Name> (2,030)
AOA hemihydrochloride

>  <Catalog Number> (2,030)
S4989

>  <Synonyms> (2,030)
Carboxymethoxylamine hemihydrochloride, AOAA hemihydrochloride, AOA hemihydrochloride

>  <Target> (2,030)
Transferase

>  <Form> (2,030)
hemihydrochloride

>  <URL> (2,030)
http://selleckchem.com/products/aminooxyacetic-acid-hemihydrochloride.html

>  <CAS Number> (2,030)
2921-14-4

$$$$
S5047 Methyl ¦Á-D-mannopyranoside.cdx
csChFnd80/07171813002D

 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> (2,031)
3870

>  <Formula> (2,031)
C7H14O6

>  <MolWeight> (2,031)
194.18246

>  <Item Name> (2,031)
Methyl ¦Á-D-mannopyranoside

>  <Catalog Number> (2,031)
S5047

>  <Synonyms> (2,031)
N/A

>  <Target> (2,031)
Others

>  <Form> (2,031)
free base

>  <URL> (2,031)
http://selleckchem.com/products/methyl-alpha-d-mannopyranoside.html

>  <CAS Number> (2,031)
617-04-9

$$$$
S5063 Trelagliptin succinate.cdx
csChFnd80/07171813002D

 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
    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 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 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
    0.0000    1.4000    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
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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> (2,032)
3874

>  <Formula> (2,032)
C22H26FN5O6

>  <MolWeight> (2,032)
475.4701432

>  <Item Name> (2,032)
Trelagliptin succinate

>  <Catalog Number> (2,032)
S5063

>  <Synonyms> (2,032)
N/A

>  <Target> (2,032)
DPP-4

>  <Form> (2,032)
succinate

>  <URL> (2,032)
http://selleckchem.com/products/trelagliptin-succinate.html

>  <CAS Number> (2,032)
1029877-94-8

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/07171813002D

 40 45  0  0  0  0  0  0  0  0999 V2000
    0.0108    2.1093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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Itacitinib (INCB39110)

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N/A

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JAK

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free base

>  <URL> (2,033)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

>  <CAS Number> (2,033)
1334298-90-6

$$$$
IWP-O1.cdx
csChFnd80/07171813002D

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3898

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C26H20N6O

>  <MolWeight> (2,034)
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IWP-O1

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S8645

>  <Synonyms> (2,034)
N/A

>  <Target> (2,034)
Wnt/beta-catenin

>  <Form> (2,034)
free base

>  <URL> (2,034)
http://selleckchem.com/products/iwp-O1.html

>  <CAS Number> (2,034)
2074607-48-8

$$$$
S4991 Valpromide.cdx
csChFnd80/07171813002D

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3904

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C8H17NO

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143.22668

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S4991

>  <Synonyms> (2,035)
Depamide, Dipropylacetamide, 2-propylpentanamide

>  <Target> (2,035)
Others

>  <Form> (2,035)
free base

>  <URL> (2,035)
http://selleckchem.com/products/valpromide.html

>  <CAS Number> (2,035)
2430-27-5

$$$$
S5058 Revaprazan Hydrochloride.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (2,036)
3910

>  <Formula> (2,036)
C22H24ClFN4

>  <MolWeight> (2,036)
398.9041632

>  <Item Name> (2,036)
Revaprazan Hydrochloride

>  <Catalog Number> (2,036)
S5058

>  <Synonyms> (2,036)
YH1885

>  <Target> (2,036)
Proton Pump

>  <URL> (2,036)
http://selleckchem.com/products/revaprazan-hydrochloride.html

>  <CAS Number> (2,036)
178307-42-1

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (2,037)
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>  <Formula> (2,037)
C21H17ClF4N4O4

>  <MolWeight> (2,037)
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>  <Item Name> (2,037)
Regorafenib Monohydrate

>  <Catalog Number> (2,037)
S5077

>  <Synonyms> (2,037)
N/A

>  <Target> (2,037)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (2,037)
monohydrate

>  <URL> (2,037)
http://selleckchem.com/products/regorafenib-monohydrate.html

>  <CAS Number> (2,037)
1019206-88-2

$$$$
S5079 Sitagliptin.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (2,038)
3916

>  <Formula> (2,038)
C16H15F6N5O

>  <MolWeight> (2,038)
407.3136192

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Sitagliptin

>  <Catalog Number> (2,038)
S5079

>  <Synonyms> (2,038)
MK-0431

>  <Target> (2,038)
DPP-4

>  <Form> (2,038)
free base

>  <URL> (2,038)
http://selleckchem.com/products/sitagliptin.html

>  <CAS Number> (2,038)
486460-32-6

$$$$
S5304 2-Acetylphenothiazine.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (2,039)
3928

>  <Formula> (2,039)
C14H11NOS

>  <MolWeight> (2,039)
241.30824

>  <Item Name> (2,039)
2-Acetylphenothiazine (ML171)

>  <Catalog Number> (2,039)
S5304

>  <Synonyms> (2,039)
2-APT

>  <Target> (2,039)
NADPH-oxidase

>  <Form> (2,039)
free base

>  <URL> (2,039)
http://selleckchem.com/products/2-acetylphenothiazine-ml171.html

>  <CAS Number> (2,039)
6631-94-3

$$$$
BGB-3111.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (2,040)
3931

>  <Formula> (2,040)
C24H25N5O3

>  <MolWeight> (2,040)
431.487

>  <Item Name> (2,040)
Btk inhibitor 2

>  <Catalog Number> (2,040)
S8542

>  <Synonyms> (2,040)
N/A

>  <Target> (2,040)
BTK

>  <Form> (2,040)
free base

>  <URL> (2,040)
http://selleckchem.com/products/btk-inhibitor-2.html

>  <CAS Number> (2,040)
1558036-85-3

$$$$
kira6.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (2,041)
3932

>  <Formula> (2,041)
C28H25F3N6O

>  <MolWeight> (2,041)
518.5329096

>  <Item Name> (2,041)
kira6

>  <Catalog Number> (2,041)
S8658

>  <Synonyms> (2,041)
N/A

>  <Target> (2,041)
Others

>  <URL> (2,041)
http://selleckchem.com/products/kira6.html

>  <CAS Number> (2,041)
1589527-65-0

$$$$
S4836 Nilutamide.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (2,042)
3935

>  <Formula> (2,042)
C12H10F3N3O4

>  <MolWeight> (2,042)
317.2207096

>  <Item Name> (2,042)
Nilutamide

>  <Catalog Number> (2,042)
S4836

>  <Synonyms> (2,042)
RU23908

>  <Target> (2,042)
Androgen Receptor

>  <URL> (2,042)
http://selleckchem.com/products/nilutamide.html

>  <CAS Number> (2,042)
63612-50-0

$$$$
S4837 Ibudilast.cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (2,043)
3936

>  <Formula> (2,043)
C14H18N2O

>  <MolWeight> (2,043)
230.30552

>  <Item Name> (2,043)
Ibudilast

>  <Catalog Number> (2,043)
S4837

>  <Synonyms> (2,043)
KC-404, AV411, MN166

>  <Target> (2,043)
PDE

>  <Form> (2,043)
free base

>  <URL> (2,043)
http://selleckchem.com/products/Ibudilast.html

>  <CAS Number> (2,043)
50847-11-5

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/07171813002D

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M  END
>  <Mol_ID> (2,044)
3948

>  <Formula> (2,044)
C18H13BrN2O4S2

>  <MolWeight> (2,044)
465.34082

>  <Item Name> (2,044)
Skp2 inhibitor C1 (SKPin C1)

>  <Catalog Number> (2,044)
S8652

>  <Synonyms> (2,044)
N/A

>  <Target> (2,044)
CDK

>  <URL> (2,044)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

>  <CAS Number> (2,044)
432001-69-9

$$$$
SNS-314.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (2,045)
3949

>  <Formula> (2,045)
C18H15ClN6OS2

>  <MolWeight> (2,045)
430.9343

>  <Item Name> (2,045)
SNS-314 Mesylate

>  <Catalog Number> (2,045)
S8699

>  <Synonyms> (2,045)
N/A

>  <Target> (2,045)
Aurora Kinase

>  <URL> (2,045)
http://selleckchem.com/products/sns-314.html

>  <CAS Number> (2,045)
1057249-41-8

$$$$
DIPRIVAN (propofol).cdx
csChFnd80/07171813002D

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>  <Mol_ID> (2,046)
3950

>  <Formula> (2,046)
C12H18O

>  <MolWeight> (2,046)
178.27072

>  <Item Name> (2,046)
Propofol

>  <Catalog Number> (2,046)
S2023

>  <Synonyms> (2,046)
N/A

>  <Target> (2,046)
GABA Receptor

>  <URL> (2,046)
http://selleckchem.com/products/propofol-diprivan.html

>  <CAS Number> (2,046)
2078-54-8

$$$$
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Usniacin

>  <Target> (2,047)
Others

>  <Form> (2,047)
free base

>  <URL> (2,047)
http://selleckchem.com/products/usnic-acid.html

>  <CAS Number> (2,047)
125-46-2

$$$$
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>  <Item Name> (2,048)
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>  <Catalog Number> (2,048)
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>  <Synonyms> (2,048)
N/A

>  <Target> (2,048)
BTK,Trk receptor,c-RET

>  <Form> (2,048)
free base

>  <URL> (2,048)
http://selleckchem.com/products/bms-935177.html

>  <CAS Number> (2,048)
1231889-53-4

$$$$
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NAMPT,PAK

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free base

>  <URL> (2,049)
http://selleckchem.com/products/kpt-9274.html

>  <CAS Number> (2,049)
1643913-93-2

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3977

>  <Formula> (2,050)
C34H30N2O6S

>  <MolWeight> (2,050)
594.6768

>  <Item Name> (2,050)
Pyrantel Pamoate 

>  <Catalog Number> (2,050)
S2501

>  <Synonyms> (2,050)
Pyrantel Embonate

>  <Target> (2,050)
Anti-infection

>  <Form> (2,050)
salt

>  <URL> (2,050)
http://selleckchem.com/products/Pyrantel-pamoate(Pyrantel-embonate).html

>  <CAS Number> (2,050)
22204-24-6

$$$$
>  <Mol_ID> (2,051)
3983

>  <Item Name> (2,051)
Diastase

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S4820

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N/A

>  <Target> (2,051)
Others

>  <URL> (2,051)
http://selleckchem.com/products/diastase.html

>  <CAS Number> (2,051)
9000-92-4

$$$$
S4831 Piperonyl butoxide.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (2,052)
3990

>  <Formula> (2,052)
C19H30O5

>  <MolWeight> (2,052)
338.4385

>  <Item Name> (2,052)
Piperonyl butoxide

>  <Catalog Number> (2,052)
S4831

>  <Synonyms> (2,052)
Butacide, Ethanol butoxide, Pyrenone 606

>  <Target> (2,052)
Others

>  <URL> (2,052)
http://selleckchem.com/products/piperonyl-butoxide.html

>  <CAS Number> (2,052)
51-03-6

$$$$
S4832 Tolmetin.cdx
csChFnd80/07171813002D

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>  <Mol_ID> (2,053)
3991

>  <Formula> (2,053)
C15H15NO3

>  <MolWeight> (2,053)
257.2845

>  <Item Name> (2,053)
Tolmetin

>  <Catalog Number> (2,053)
S4832

>  <Synonyms> (2,053)
Tolectin

>  <Target> (2,053)
Immunology & Inflammation related

>  <Form> (2,053)
free base

>  <URL> (2,053)
http://selleckchem.com/products/tolmetin.html

>  <CAS Number> (2,053)
26171-23-3

$$$$
S4977 Efonidipine.cdx
csChFnd80/07171813002D

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>  <Formula> (2,054)
C34H38N3O7P

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>  <Item Name> (2,054)
Efonidipine

>  <Catalog Number> (2,054)
S4977

>  <Synonyms> (2,054)
NZ-105

>  <Target> (2,054)
Calcium Channel

>  <Form> (2,054)
free base

>  <URL> (2,054)
http://selleckchem.com/products/efonidipine.html

>  <CAS Number> (2,054)
111011-63-3

$$$$
S5019 Indobufen.cdx
csChFnd80/07171813002D

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   12.3967    4.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2552    4.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0766    2.8400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0766    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4664    6.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
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  5 10  1  0  0  0  0
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  7 12  1  0  0  0  0
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 55 59  1  0  0  0  0
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 58 60  2  0  0  0  0
M  END
>  <Mol_ID> (2,059)
4039

>  <Formula> (2,059)
C48H48N4O6S2

>  <MolWeight> (2,059)
841.04792

>  <Item Name> (2,059)
Mebhydrolin napadisylate

>  <Catalog Number> (2,059)
S5018

>  <Synonyms> (2,059)
Diazoline, Diazolin, Incidal, Omeril

>  <Target> (2,059)
Histamine Receptor

>  <Form> (2,059)
salt

>  <URL> (2,059)
http://selleckchem.com/products/mebhydrolin-napadisylate.html

>  <CAS Number> (2,059)
6153-33-9

$$$$
S5028 Dalfampridine4-Aminopyridine.cdx
csChFnd80/07171813002D

  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
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,060)
4042

>  <Formula> (2,060)
C5H6N2

>  <MolWeight> (2,060)
94.11454

>  <Item Name> (2,060)
4-Aminopyridine

>  <Catalog Number> (2,060)
S5028

>  <Synonyms> (2,060)
fampridine, dalfampridine

>  <Target> (2,060)
Potassium Channel

>  <Form> (2,060)
free base

>  <URL> (2,060)
http://selleckchem.com/products/aminopyridine.html

>  <CAS Number> (2,060)
504-24-5

$$$$
RAF709.cdx
csChFnd80/07171813002D

 39 43  0  0  0  0  0  0  0  0999 V2000
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    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    7.0000    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
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   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 15 10  1  0  0  0  0
  7 16  1  0  0  0  0
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 20  7  1  0  0  0  0
  9 21  2  0  0  0  0
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 23 24  1  0  0  0  0
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 25  9  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
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 35 29  1  0  0  0  0
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 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <Mol_ID> (2,061)
4060

>  <Formula> (2,061)
C28H29F3N4O4

>  <MolWeight> (2,061)
542.5494696

>  <Item Name> (2,061)
RAF709

>  <Catalog Number> (2,061)
S8690

>  <Synonyms> (2,061)
N/A

>  <Target> (2,061)
Raf

>  <Form> (2,061)
free base

>  <URL> (2,061)
http://selleckchem.com/products/raf709.html

>  <CAS Number> (2,061)
1628838-42-5

$$$$
Sodium valproate.cdx
csChFnd80/07171813002D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,062)
4062

>  <Formula> (2,062)
C8H15NaO2

>  <MolWeight> (2,062)
166.19327

>  <Item Name> (2,062)
Valproic acid sodium salt (Sodium valproate)

>  <Catalog Number> (2,062)
S1168

>  <Synonyms> (2,062)
N/A 

>  <Target> (2,062)
GABA Receptor, HDAC

>  <URL> (2,062)
http://www.selleckchem.com/products/Sodium-valproate.html

>  <CAS Number> (2,062)
1069-66-5, 99-66-1 (FREE BASE)

$$$$
S4623 5,5-Dimethyloxazolidine-2,4-dione.cdx
csChFnd80/07171813002D

  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
    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
    4.7442    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  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,063)
4063

>  <Formula> (2,063)
C5H7NO3

>  <MolWeight> (2,063)
129.11398

>  <Item Name> (2,063)
5,5-Dimethyloxazolidine-2,4-dione

>  <Catalog Number> (2,063)
S4624

>  <Synonyms> (2,063)
Dimethadione, Dimethyloxazolidinedione, Dimethadion

>  <Target> (2,063)
Others

>  <Form> (2,063)
free base

>  <URL> (2,063)
http://selleckchem.com/products/5-5-dimethyloxazolidine-2-4-dione.html

>  <CAS Number> (2,063)
695-53-4

$$$$
