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$$$$
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VEGFR, PDGFR, c-Kit

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

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319460-85-0

$$$$
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Src, Bcr-Abl

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Free Base

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

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379231-04-6

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

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>  <Synonyms> (6)
ARRY-142886 

>  <Target> (6)
MEK

>  <Form> (6)
Free Base

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

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

$$$$
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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)
14

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MEK 

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Free Base

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

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

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

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

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

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C53H84NO14P

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

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S1022

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AP23573, MK-8669

>  <Target> (12)
mTOR

>  <Form> (12)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/10101813162D

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19

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

>  <Catalog Number> (13)
S1025

>  <Synonyms> (13)
N/A

>  <Target> (13)
EGFR

>  <Form> (13)
Free Base

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

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

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/10101813162D

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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

>  <Target> (14)
EGFR, HER2

>  <Form> (14)
Ditosylat

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

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

$$$$
untitled.cdx
csChFnd80/10101813162D

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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
csChFnd80/10101813162D

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>  <Mol_ID> (16)
24

>  <Formula> (16)
C22H29N5O9P2

>  <MolWeight> (16)
569.441282

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

>  <Catalog Number> (16)
S1032

>  <Synonyms> (16)
AMG-706

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

>  <Form> (16)
Diphosphate

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

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

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

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C28H22F3N7O

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Nilotinib (AMN-107)

>  <Catalog Number> (17)
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>  <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
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26

>  <Formula> (18)
C21H24ClN7O2S

>  <MolWeight> (18)
473.97896

>  <Item Name> (18)
Pazopanib HCl

>  <Catalog Number> (18)
S1035

>  <Synonyms> (18)
GW786034

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

>  <Form> (18)
Hydrochloride

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

>  <CAS Number> (18)
635702-64-6

$$$$
untitled.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (19)
27

>  <Formula> (19)
C16H14F3IN2O4

>  <MolWeight> (19)
482.1930396

>  <Item Name> (19)
PD0325901

>  <Catalog Number> (19)
S1036

>  <Synonyms> (19)
N/A

>  <Target> (19)
MEK 

>  <Form> (19)
Free Base

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

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

$$$$
Dimesna.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (20)
28

>  <Formula> (20)
C4H8Na2O6S4

>  <MolWeight> (20)
326.34226

>  <Item Name> (20)
Dimesna

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S1201 

>  <Synonyms> (20)
BNP7787, Tavocept, BioNumerik

>  <Target> (20)
Others

>  <Form> (20)
Disodium salt

>  <URL> (20)
http://www.selleckchem.com/products/Dimesna.html

>  <CAS Number> (20)
16208-51-8

$$$$
1.cdx
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>  <Mol_ID> (21)
30

>  <Formula> (21)
C19H16N4O3

>  <MolWeight> (21)
348.35534

>  <Item Name> (21)
PI-103

>  <Catalog Number> (21)
S1038

>  <Synonyms> (21)
N/A

>  <Target> (21)
DNA-PK, PI3K, mTOR

>  <Form> (21)
Free Base

>  <URL> (21)
http://www.selleckchem.com/products/PI-103.html

>  <CAS Number> (21)
371935-74-9

$$$$
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csChFnd80/10101813162D

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N/A 

>  <Target> (22)
mTOR 

>  <Form> (22)
Free Base

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

>  <CAS Number> (22)
53123-88-9

$$$$

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>  <Mol_ID> (23)
33

>  <Formula> (23)
C28H24ClF3N4O6S

>  <MolWeight> (23)
637.0265696

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Sorafenib Tosylate

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S1040

>  <Synonyms> (23)
Bay 43-9006 

>  <Target> (23)
VEGFR, PDGFR, Raf

>  <Form> (23)
Tosylate

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

>  <CAS Number> (23)
475207-59-1

$$$$
untitled.cdx
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>  <Mol_ID> (24)
38

>  <Formula> (24)
C22H24BrFN4O2

>  <MolWeight> (24)
475.3539632

>  <Item Name> (24)
Vandetanib (ZD6474)

>  <Catalog Number> (24)
S1046

>  <Synonyms> (24)
N/A

>  <Target> (24)
VEGFR

>  <Form> (24)
Free Base

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

>  <CAS Number> (24)
443913-73-3

$$$$
vorinostat.cdx
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>  <Mol_ID> (25)
39

>  <Formula> (25)
C14H20N2O3

>  <MolWeight> (25)
264.3202

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

>  <Catalog Number> (25)
S1047

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

>  <Target> (25)
HDAC

>  <Form> (25)
Free Base

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

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

$$$$
untitled.cdx
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>  <Mol_ID> (26)
40

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C23H28N8OS

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VX-680 (MK-0457, Tozasertib)

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S1048

>  <Synonyms> (26)
N/A 

>  <Target> (26)
Aurora Kinase

>  <Form> (26)
Free Base

>  <URL> (26)
http://www.selleckchem.com/products/VX-680(MK-0457).html

>  <CAS Number> (26)
639089-54-6

$$$$
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C14H23Cl2N3O

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Y-27632 2HCl

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S1049

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N/A

>  <Target> (27)
ROCK

>  <Form> (27)
Dihydrochloride

>  <URL> (27)
http://www.selleckchem.com/products/Y-27632.html

>  <CAS Number> (27)
129830-38-2

$$$$
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>  <Mol_ID> (28)
42

>  <Formula> (28)
C19H20N4O2S2

>  <MolWeight> (28)
400.5177

>  <Item Name> (28)
Elesclomol (STA-4783)

>  <Catalog Number> (28)
S1052

>  <Synonyms> (28)
STA-4783

>  <Target> (28)
HSP

>  <Form> (28)
Free Base

>  <URL> (28)
http://www.selleckchem.com/products/Elesclomol.html

>  <CAS Number> (28)
488832-69-5

$$$$
untitled.cdx
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>  <Mol_ID> (29)
43

>  <Formula> (29)
C21H20N4O3

>  <MolWeight> (29)
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>  <Item Name> (29)
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SNDX-275

>  <Target> (29)
HDAC 

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Free Base

>  <URL> (29)
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>  <CAS Number> (29)
209783-80-2

$$$$
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PKC 

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Free Base

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

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170364-57-5

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Obatoclax mesylate (GX15-070)

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N/A 

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Bcl-2 

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Mesylate

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

>  <CAS Number> (31)
803712-79-0

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S1060

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KU-0059436 

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PARP 

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Free Base

>  <URL> (32)
http://www.selleckchem.com/products/AZD2281(Olaparib).html

>  <CAS Number> (32)
763113-22-0

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Mdm2

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c-Kit, PDGFR, FGFR, FAK

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Free Base

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http://www.selleckchem.com/products/Masitinib-(AB1010).html

>  <CAS Number> (34)
790299-79-5

$$$$
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49

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C23H27N7O3S2

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>  <Item Name> (35)
Pictilisib (GDC-0941)

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S1065

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RG7321

>  <Target> (35)
PI3K 

>  <Form> (35)
Free Base

>  <URL> (35)
http://www.selleckchem.com/products/GDC-0941.html

>  <CAS Number> (35)
957054-30-7

$$$$
untitled.cdx
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TGF-beta/Smad

>  <Form> (36)
Free Base

>  <URL> (36)
http://www.selleckchem.com/products/SB-431542.html

>  <CAS Number> (36)
301836-41-9

$$$$
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>  <Mol_ID> (37)
51

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VER-52296

>  <Target> (37)
HSP

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>  <URL> (37)
http://www.selleckchem.com/products/NVP-AUY922.html

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747412-49-3

$$$$
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PI3K 

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475110-96-4

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GSK-3 

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Free Base

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http://www.selleckchem.com/products/SB-216763.html

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280744-09-4

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>  <Mol_ID> (40)
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S1077

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N/A

>  <Target> (40)
p38 MAPK 

>  <Form> (40)
Free Base

>  <URL> (40)
http://www.selleckchem.com/products/SB-202190.html

>  <CAS Number> (40)
152121-30-7

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>  <Target> (41)
Akt

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>  <URL> (41)
http://www.selleckchem.com/products/MK-2206.html

>  <CAS Number> (41)
1032350-13-2

$$$$
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S1080

>  <Synonyms> (42)
PKI-SU11274

>  <Target> (42)
c-Met 

>  <Form> (42)
Free Base

>  <URL> (42)
http://www.selleckchem.com/products/SU11274.html

>  <CAS Number> (42)
658084-23-2

$$$$
untitled.cdx
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>  <Mol_ID> (43)
59

>  <Formula> (43)
C19H14Cl2N2O3S

>  <MolWeight> (43)
421.29706

>  <Item Name> (43)
Vismodegib (GDC-0449)

>  <Catalog Number> (43)
S1082

>  <Synonyms> (43)
N/A 

>  <Target> (43)
Hedgehog, P-gp

>  <Form> (43)
Free Base

>  <URL> (43)
http://www.selleckchem.com/products/GDC-0449.html

>  <CAS Number> (43)
879085-55-9

$$$$
Brivanib.cdx
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>  <Mol_ID> (44)
60

>  <Formula> (44)
C19H19FN4O3

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370.3775632

>  <Item Name> (44)
Brivanib (BMS-540215)

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S1084

>  <Synonyms> (44)
N/A 

>  <Target> (44)
VEGFR, FGFR

>  <Form> (44)
Free Base

>  <URL> (44)
http://www.selleckchem.com/products/Brivanib.html

>  <CAS Number> (44)
649735-46-6

$$$$
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>  <Mol_ID> (45)
61

>  <Formula> (45)
C15H14N2O4S

>  <MolWeight> (45)
318.34766

>  <Item Name> (45)
Belinostat (PXD101)

>  <Catalog Number> (45)
S1085

>  <Synonyms> (45)
N/A 

>  <Target> (45)
HDAC 

>  <Form> (45)
Free Base

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

>  <CAS Number> (45)
414864-00-9

$$$$
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>  <Mol_ID> (46)
62

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C7H5IN2O3

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SAR240550 

>  <Target> (46)
PARP 

>  <Form> (46)
Free Base

>  <URL> (46)
http://www.selleckchem.com/products/BSI-201.html

>  <CAS Number> (46)
160003-66-7

$$$$
untitled.cdx
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HDAC 

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ATM 

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$$$$
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c-Met 

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Free Base

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NVP-LAQ824

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HDAC 

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Free Base

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http://www.selleckchem.com/products/LAQ824(NVP-LAQ824).html

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404951-53-7

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S1098

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AG-014447 

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PARP 

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Phosphate

>  <URL> (52)
http://www.selleckchem.com/products/AG-014699.html

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459868-92-9

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70

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MLN8054

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S1100

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Aurora Kinase

>  <Form> (53)
Free Base

>  <URL> (53)
http://www.selleckchem.com/products/MLN8054.html

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869363-13-3

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71

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C20H17Cl3N4

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Vatalanib (PTK787) 2HCl

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ZK 222584 (cpg-79787) 2HCl

>  <Target> (54)
VEGFR, c-Kit, Flt

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Dihydrochloride

>  <URL> (54)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

>  <CAS Number> (54)
212141-51-0

$$$$
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N/A 

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

>  <Form> (59)
Free Base

>  <URL> (59)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

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827318-97-8

$$$$
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>  <Synonyms> (60)
N/A

>  <Target> (60)
PLK

>  <Form> (60)
Free Base

>  <URL> (60)
http://www.selleckchem.com/products/BI-2536.html

>  <CAS Number> (60)
755038-02-9

$$$$
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>  <Item Name> (61)
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>  <Synonyms> (61)
N/A 

>  <Target> (61)
c-Met, VEGFR

>  <Form> (61)
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>  <URL> (61)
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849217-64-7

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HDAC 

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896466-04-9

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59937-28-9 

$$$$
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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

$$$$

csChFnd80/10101813162D

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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
csChFnd80/10101813162D

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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
csChFnd80/10101813162D

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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 

$$$$
untitled.cdx
csChFnd80/10101813162D

 25 27  0  0  0  0  0  0  0  0999 V2000
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BMS-387032

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CDK 

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Free Base

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http://www.selleckchem.com/products/SNS-032.html

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345627-80-7

$$$$
untitled.cdx
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AZD1152 

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Aurora Kinase

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Free Base

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

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722544-51-6

$$$$
Gemcitabine hydrochloride.cdx
csChFnd80/10101813162D

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Gemzar

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DNA/RNA Synthesis

>  <Form> (80)
Hydrochloride

>  <URL> (80)
http://www.selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

>  <CAS Number> (80)
122111-03-9

$$$$
Paclitaxel.cdx
csChFnd80/10101813162D

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Raf 

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CDK 

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186692-46-6 

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S1180 

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N/A 

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Wnt/beta-catenin

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Free Base

>  <URL> (95)
http://www.selleckchem.com/products/XAV-939.html

>  <CAS Number> (95)
284028-89-3

$$$$
ENMD-2076.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (96)
129

>  <Formula> (96)
C21H25N7

>  <MolWeight> (96)
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ENMD-2076

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S1181

>  <Synonyms> (96)
N/A 

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

>  <Form> (96)
Tartaric Acid 

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

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

$$$$
Ostarine(MK-2866).cdx
csChFnd80/10101813162D

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>  <Mol_ID> (97)
132

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C19H14F3N3O3

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>  <Item Name> (97)
MK-2866 (GTx-024)

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S1174

>  <Synonyms> (97)
Enobosarm, ostarine

>  <Target> (97)
Androgen Receptor

>  <Form> (97)
Free Base

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

>  <CAS Number> (97)
841205-47-8

$$$$
BIBR1532.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (98)
133

>  <Formula> (98)
C21H17NO3

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331.36458

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BIBR1532

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S1186

>  <Synonyms> (98)
N/A

>  <Target> (98)
Telomerase

>  <Form> (98)
Free Base

>  <URL> (98)
http://www.selleckchem.com/products/BIBR1532.html

>  <CAS Number> (98)
321674-73-1

$$$$
Anastrozole.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (99)
135

>  <Formula> (99)
C17H19N5

>  <MolWeight> (99)
293.36626

>  <Item Name> (99)
Anastrozole

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S1188

>  <Synonyms> (99)
Arimidex 

>  <Target> (99)
Aromatase

>  <Form> (99)
Free Base

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

>  <CAS Number> (99)
120511-73-1

$$$$
Aprepitant.cdx
csChFnd80/10101813162D

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136

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C23H21F7N4O3

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534.4266624

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Aprepitant (MK-0869)

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S1189

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MK-0869, MK-869, L-754030, Emend 

>  <Target> (100)
Substance P

>  <Form> (100)
Free Base

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

>  <CAS Number> (100)
170729-80-3

$$$$
bicalutamide.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (101)
137

>  <Formula> (101)
C18H14F4N2O4S

>  <MolWeight> (101)
430.3733728

>  <Item Name> (101)
Bicalutamide (Casodex)

>  <Catalog Number> (101)
S1190

>  <Synonyms> (101)
N/A 

>  <Target> (101)
Androgen Receptor, P450

>  <Form> (101)
Free Base

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

>  <CAS Number> (101)
90357-06-5

$$$$
Fulvestrant.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (102)
138

>  <Formula> (102)
C32H47F5O3S

>  <MolWeight> (102)
606.770796

>  <Item Name> (102)
Fulvestrant (Faslodex)

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S1191

>  <Synonyms> (102)
N/A 

>  <Target> (102)
Estrogen/progestogen Receptor

>  <Form> (102)
Free Base

>  <URL> (102)
http://www.selleckchem.com/products/Fulvestrant.html

>  <CAS Number> (102)
129453-61-8

$$$$
Raltitrexed.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (103)
139

>  <Formula> (103)
C21H22N4O6S

>  <MolWeight> (103)
458.48758

>  <Item Name> (103)
Raltitrexed (Tomudex)

>  <Catalog Number> (103)
S1192 

>  <Synonyms> (103)
N/A 

>  <Target> (103)
DNA/RNA Synthesis

>  <Form> (103)
Free Base

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

>  <CAS Number> (103)
112887-68-0

$$$$
S119401 CUDC-101.cdx
csChFnd80/10101813162D

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HDAC, EGFR, HER2

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Free Base

>  <URL> (104)
http://www.selleckchem.com/products/CUDC-101.html

>  <CAS Number> (104)
1012054-59-9

$$$$
Exemestane.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (105)
141

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C20H24O2

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Exemestane

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S1196

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Aromasin

>  <Target> (105)
Aromatase

>  <Form> (105)
Free Base

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

>  <CAS Number> (105)
107868-30-4

$$$$
Cladribine.cdx
csChFnd80/10101813162D

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Leustatin

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DNA/RNA Synthesis

>  <Form> (106)
Free Base

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

>  <CAS Number> (106)
4291-63-8

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/10101813162D

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144

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S1200

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Dacogen

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DNA/RNA Synthesis

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Free Base

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

>  <CAS Number> (107)
2353-33-5

$$$$
Dutasteride.cdx
csChFnd80/10101813162D

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 17 19  1  1  0  0  0
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  9 37  1  1  0  0  0
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 10 40  1  6  0  0  0
 11 41  1  6  0  0  0
M  END
>  <Mol_ID> (108)
145

>  <Formula> (108)
C27H30F6N2O2

>  <MolWeight> (108)
528.5297192

>  <Item Name> (108)
Dutasteride

>  <Catalog Number> (108)
S1202

>  <Synonyms> (108)
Avodart

>  <Target> (108)
5-alpha Reductase

>  <Form> (108)
Free Base

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

>  <CAS Number> (108)
164656-23-9

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/10101813162D

 28 29  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
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M  END
>  <Mol_ID> (109)
146

>  <Formula> (109)
C16H15BrClN5O4S

>  <MolWeight> (109)
488.7434

>  <Item Name> (109)
PIK-75 

>  <Catalog Number> (109)
S1205

>  <Synonyms> (109)
N/A

>  <Target> (109)
PI3K, DNA-PK

>  <Form> (109)
Hydrochloride

>  <URL> (109)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

>  <CAS Number> (109)
372196-77-5

$$$$
AV-951.cdx
csChFnd80/10101813162D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.3854    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4854    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4854    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (110)
147

>  <Formula> (110)
C22H19ClN4O5

>  <MolWeight> (110)
454.86306

>  <Item Name> (110)
Tivozanib (AV-951)

>  <Catalog Number> (110)
S1207

>  <Synonyms> (110)
N/A 

>  <Target> (110)
VEGFR, c-Kit, PDGFR

>  <Form> (110)
Free Base

>  <URL> (110)
http://www.selleckchem.com/products/AV-951.html

>  <CAS Number> (110)
475108-18-0

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/10101813162D

 41 44  0  0  0  0  0  0  0  0999 V2000
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 22 40  1  1  0  0  0
M  END
>  <Mol_ID> (111)
148

>  <Formula> (111)
C27H30ClNO11

>  <MolWeight> (111)
579.9802

>  <Item Name> (111)
Doxorubicin (Adriamycin) HCl

>  <Catalog Number> (111)
S1208

>  <Synonyms> (111)
N/A 

>  <Target> (111)
Topoisomerase

>  <Form> (111)
Hydrochloride

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

>  <CAS Number> (111)
25316-40-9

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/10101813162D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  2  0  0  0  0
  1  9  2  0  0  0  0
M  END
>  <Mol_ID> (112)
149

>  <Formula> (112)
C4H3FN2O2

>  <MolWeight> (112)
130.0772232

>  <Item Name> (112)
Adrucil (Fluorouracil)

>  <Catalog Number> (112)
S1209

>  <Synonyms> (112)
5-FU, Carac, Efudex, Fluoroplex 

>  <Target> (112)
DNA/RNA Synthesis

>  <Form> (112)
Free Base

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

>  <CAS Number> (112)
51-21-8

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/10101813162D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 18  2  0  0  0  0
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 20 15  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 31  1  0  0  0  0
 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (113)
150

>  <Formula> (113)
C20H22N8O5

>  <MolWeight> (113)
454.43928

>  <Item Name> (113)
Abitrexate (Methotrexate)

>  <Catalog Number> (113)
S1210

>  <Synonyms> (113)
Methotrexate, Rheumatrex, Trexall

>  <Target> (113)
DHFR

>  <Form> (113)
Free Base

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

>  <CAS Number> (113)
59-05-2

$$$$
Bendamustine Hydrochloride.cdx
csChFnd80/10101813162D

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    5.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
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  2 10  1  0  0  0  0
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M  END
>  <Mol_ID> (114)
152

>  <Formula> (114)
C16H22Cl3N3O2

>  <MolWeight> (114)
394.72378

>  <Item Name> (114)
Bendamustine HCL 

>  <Catalog Number> (114)
S1212

>  <Synonyms> (114)
Ribomustin, Treanda, SDX-105

>  <Target> (114)
DNA/RNA Synthesis

>  <Form> (114)
Hydrochloride

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

>  <CAS Number> (114)
3543-75-7

$$$$
Arranon (Nelarabine).cdx
csChFnd80/10101813162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    4.8847    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2 10  1  0  0  0  0
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 13 14  1  0  0  0  0
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 13  7  1  6  0  0  0
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 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (115)
153

>  <Formula> (115)
C11H15N5O5

>  <MolWeight> (115)
297.2673

>  <Item Name> (115)
Nelarabine (Arranon)

>  <Catalog Number> (115)
S1213

>  <Synonyms> (115)
Arranon

>  <Target> (115)
DNA/RNA Synthesis 

>  <Form> (115)
Free Base

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

>  <CAS Number> (115)
121032-29-9

$$$$
Carboplatin.cdx
csChFnd80/10101813162D

 13 10  0  0  0  0  0  0  0  0999 V2000
    3.2875    2.4207    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    3.9875    1.2082    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3875    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0851    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0774    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0674    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0774    3.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7617    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3617    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
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 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <Mol_ID> (116)
155

>  <Formula> (116)
C6H12N2O4Pt

>  <MolWeight> (116)
371.24848

>  <Item Name> (116)
Carboplatin

>  <Catalog Number> (116)
S1215

>  <Synonyms> (116)
Paraplatin

>  <Target> (116)
DNA/RNA Synthesis

>  <Form> (116)
Free Base

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

>  <CAS Number> (116)
41575-94-4

$$$$
Clofarabine.cdx
csChFnd80/10101813162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  6  0  0  0
 13 17  1  6  0  0  0
 15 18  1  6  0  0  0
 14 19  1  1  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (117)
156

>  <Formula> (117)
C10H11ClFN5O3

>  <MolWeight> (117)
303.6774432

>  <Item Name> (117)
Clofarabine

>  <Catalog Number> (117)
S1218

>  <Synonyms> (117)
Clolar, Evoltra

>  <Target> (117)
DNA/RNA Synthesis

>  <Form> (117)
Free Base

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

>  <CAS Number> (117)
123318-82-1

$$$$
OSI-930.cdx
csChFnd80/10101813162D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (118)
157

>  <Formula> (118)
C22H16F3N3O2S

>  <MolWeight> (118)
443.4415496

>  <Item Name> (118)
OSI-930

>  <Catalog Number> (118)
S1220

>  <Synonyms> (118)
N/A

>  <Target> (118)
c-Kit, VEGFR

>  <Form> (118)
Free Base

>  <URL> (118)
http://www.selleckchem.com/products/OSI-930.html

>  <CAS Number> (118)
728033-96-3

$$$$
Ellence (Epirubicin Hydrochloride).cdx
csChFnd80/10101813162D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (119)
159

>  <Formula> (119)
C27H30ClNO11

>  <MolWeight> (119)
579.9802

>  <Item Name> (119)
Epirubicin Hydrochloride

>  <Catalog Number> (119)
S1223

>  <Synonyms> (119)
Ellence, Pharmorubicin, Epirubicin Ebewe

>  <Target> (119)
Topoisomerase 

>  <Form> (119)
Hydrochloride

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

>  <CAS Number> (119)
56390-09-1

$$$$
Eloxatin (Oxaliplatin).cdx
csChFnd80/10101813162D

 15 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (120)
160

>  <Formula> (120)
C8H14N2O4Pt

>  <MolWeight> (120)
397.28576

>  <Item Name> (120)
Oxaliplatin (Eloxatin)

>  <Catalog Number> (120)
S1224

>  <Synonyms> (120)
Eloxatin

>  <Target> (120)
DNA/RNA Synthesis 

>  <Form> (120)
Free Base

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

>  <CAS Number> (120)
61825-94-3

$$$$
Etoposide.cdx
csChFnd80/10101813162D

 47 53  0  0  0  0  0  0  0  0999 V2000
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 31 32  1  0  0  0  0
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M  END
>  <Mol_ID> (121)
161

>  <Formula> (121)
C29H32O13

>  <MolWeight> (121)
588.55658

>  <Item Name> (121)
Etoposide (VP-16)
Etoposide

>  <Catalog Number> (121)
S1225

>  <Synonyms> (121)
Vepesid 

>  <Target> (121)
Topoisomerase

>  <Form> (121)
Free Base

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

>  <CAS Number> (121)
33419-42-0

$$$$
KU-0063794.cdx
csChFnd80/10101813162D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (122)
162

>  <Formula> (122)
C25H31N5O4

>  <MolWeight> (122)
465.54474

>  <Item Name> (122)
Ku-0063794

>  <Catalog Number> (122)
S1226

>  <Synonyms> (122)
N/A

>  <Target> (122)
mTOR 

>  <Form> (122)
Free Base

>  <URL> (122)
http://www.selleckchem.com/products/KU-0063794.html

>  <CAS Number> (122)
938440-64-3

$$$$
Evista (Raloxifene Hydrochloride).cdx
csChFnd80/10101813162D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (123)
163

>  <Formula> (123)
C28H28ClNO4S

>  <MolWeight> (123)
510.04422

>  <Item Name> (123)
Evista (Raloxifene Hydrochloride)

>  <Catalog Number> (123)
S1227

>  <Synonyms> (123)
Raloxifene Hydrochloride, keoxifene

>  <Target> (123)
Estrogen/progestogen Receptor

>  <Form> (123)
Hydrochloride

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

>  <CAS Number> (123)
82640-04-8

$$$$
Idarubicin Hydrochloride.cdx
csChFnd80/10101813162D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (124)
164

>  <Formula> (124)
C26H28ClNO9

>  <MolWeight> (124)
533.95482

>  <Item Name> (124)
Idarubicin HCl

>  <Catalog Number> (124)
S1228

>  <Synonyms> (124)
Idamycin, Zavedos, 4-demethoxydaunorubicin 

>  <Target> (124)
Topoisomerase

>  <Form> (124)
Hydrochloride

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

>  <CAS Number> (124)
57852-57-0

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/10101813162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (125)
165

>  <Formula> (125)
C10H13FN5O7P

>  <MolWeight> (125)
365.2116842

>  <Item Name> (125)
Fludarabine Phosphate (Fludara)

>  <Catalog Number> (125)
S1229

>  <Synonyms> (125)
N/A 

>  <Target> (125)
DNA/RNA Synthesis

>  <Form> (125)
Phosphate

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

>  <CAS Number> (125)
75607-67-9

$$$$
Topotecan.cdx
csChFnd80/10101813162D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (126)
166

>  <Formula> (126)
C23H24ClN3O5

>  <MolWeight> (126)
457.90676

>  <Item Name> (126)
Topotecan HCl

>  <Catalog Number> (126)
S1231

>  <Synonyms> (126)
Hycamtin, NSC 609699

>  <Target> (126)
Topoisomerase 

>  <Form> (126)
Hydrochloride

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

>  <CAS Number> (126)
119413-54-6

$$$$
2-Methoxyestradiol.cdx
csChFnd80/10101813162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (127)
167

>  <Formula> (127)
C19H26O3

>  <MolWeight> (127)
302.40794

>  <Item Name> (127)
2-Methoxyestradiol

>  <Catalog Number> (127)
S1233

>  <Synonyms> (127)
2-ME2

>  <Target> (127)
HIF

>  <Form> (127)
Free Base

>  <URL> (127)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

>  <CAS Number> (127)
362-07-2

$$$$
Letrozole.cdx
csChFnd80/10101813162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (128)
168

>  <Formula> (128)
C17H11N5

>  <MolWeight> (128)
285.30274

>  <Item Name> (128)
Letrozole

>  <Catalog Number> (128)
S1235

>  <Synonyms> (128)
Femara, Piroxicam 

>  <Target> (128)
Aromatase 

>  <Form> (128)
Free Base

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

>  <CAS Number> (128)
112809-51-5

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/10101813162D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (129)
169

>  <Formula> (129)
C6H6N6O2

>  <MolWeight> (129)
194.15084

>  <Item Name> (129)
Temozolomide

>  <Catalog Number> (129)
S1237

>  <Synonyms> (129)
Methazolastone, Temodar, Temodal

>  <Target> (129)
DNA/RNA Synthesis

>  <Form> (129)
Free Base

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

>  <CAS Number> (129)
85622-93-1

$$$$
MP-470.cdx
csChFnd80/10101813162D

 32 37  0  0  0  0  0  0  0  0999 V2000
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75706-12-6

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NSC639966

>  <Target> (135)
Akt

>  <Form> (135)
Free Base

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

>  <CAS Number> (135)
157716-52-4

$$$$
Celecoxib.cdx
csChFnd80/10101813162D

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Celebrex, Celebra 

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COX

>  <Form> (136)
Free Base

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

>  <CAS Number> (136)
169590-42-5

$$$$
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csChFnd80/10101813162D

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C20H17ClF4N4O4S

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Gamma-secretase

>  <Form> (137)
Free Base

>  <URL> (137)
http://www.selleckchem.com/products/BMS-708163.html

>  <CAS Number> (137)
1146699-66-2

$$$$
PD173074.cdx
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185

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C28H41N7O3

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FGFR, VEGFR

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Free Base

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219580-11-7

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WYE-354.cdx
csChFnd80/10101813162D

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mTOR 

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Free Base

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http://www.selleckchem.com/products/WYE-354.html

>  <CAS Number> (139)
1062169-56-5

$$$$
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csChFnd80/10101813162D

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187

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Vemurafenib (PLX4032, RG7204)

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S1267

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RO5185426

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Raf 

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Free Base

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

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918504-65-1

$$$$
Altretamine.cdx
csChFnd80/10101813162D

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190

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C9H18N6

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Altretamine (Hexalen)

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S1278

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Hexalen

>  <Target> (141)
DNA alkylator

>  <Form> (141)
Free Base

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

>  <CAS Number> (141)
645-05-6

$$$$
Amisulpride.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (142)
191

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C17H27N3O4S

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Amisulpride

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S1280

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Solian

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Dopamine Receptor

>  <Form> (142)
Free Base

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

>  <CAS Number> (142)
71675-85-9

$$$$
Carmofur.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (143)
198

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Carmofur

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S1289

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HCFU

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Antimetabolites

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Free Base

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

>  <CAS Number> (143)
61422-45-5

$$$$
Anagrelide hydrochloride.cdx
csChFnd80/10101813162D

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Anagrelide hydrochloride 

>  <Catalog Number> (144)
S3172

>  <Synonyms> (144)
N/A

>  <Target> (144)
PDE

>  <Form> (144)
Hydrochloride 

>  <URL> (144)
http://www.selleckchem.com/products/anagrelide-hydrochloride.html

>  <CAS Number> (144)
58579-51-4

$$$$
Hydroxyurea.cdx
csChFnd80/10101813162D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
M  END
>  <Mol_ID> (145)
218

>  <Formula> (145)
CH4N2O2

>  <MolWeight> (145)
76.05466

>  <Item Name> (145)
Hydroxyurea (Cytodrox)

>  <Catalog Number> (145)
S1896

>  <Synonyms> (145)
Hydrea, Biosupressin

>  <Target> (145)
DNA/RNA Synthesis

>  <Form> (145)
Free Base

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

>  <CAS Number> (145)
127-07-1

$$$$
Flutamide .cdx
csChFnd80/10101813162D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.4291    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2049    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    0.0042    3.5049    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 19  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (146)
225

>  <Formula> (146)
C11H11F3N2O3

>  <MolWeight> (146)
276.2118496

>  <Item Name> (146)
Flutamide (Eulexin)

>  <Catalog Number> (146)
S1908

>  <Synonyms> (146)
Flutamin, Drogenil 

>  <Target> (146)
P450

>  <Form> (146)
Free Base

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

>  <CAS Number> (146)
13311-84-7

$$$$
FLUVASTATIN SODIUM.cdx
csChFnd80/10101813162D

 31 32  0  0  0  0  0  0  0  0999 V2000
    2.8000    3.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    3.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    5.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3569    5.8305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5651    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7733    5.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9404    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3569    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9816    5.1330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.1940    5.8330    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.7733    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  1  7  1  0  0  0  0
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 18 10  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 24 28  1  1  0  0  0
 26 29  1  0  0  0  0
 26 31  2  0  0  0  0
M  END
>  <Mol_ID> (147)
226

>  <Formula> (147)
C24H25FNNaO4

>  <MolWeight> (147)
433.4477732

>  <Item Name> (147)
Fluvastatin sodium (Lescol)

>  <Catalog Number> (147)
S1909

>  <Synonyms> (147)
Vastin

>  <Target> (147)
HMG-CoA Reductase

>  <Form> (147)
Sodium

>  <URL> (147)
http://www.selleckchem.com/products/Fluvastatin-Sodium(Lescol).htm

>  <CAS Number> (147)
93957-55-2

$$$$
Epothilone A.cdx
csChFnd80/10101813162D

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0372    0.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8241    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  1  0  0  0
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 16 34  1  0  0  0  0
M  END
>  <Mol_ID> (148)
239

>  <Formula> (148)
C26H39NO6S

>  <MolWeight> (148)
493.65596

>  <Item Name> (148)
Epothilone A

>  <Catalog Number> (148)
S1297

>  <Synonyms> (148)
N/A

>  <Target> (148)
Microtubule Associated

>  <Form> (148)
Free Base

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

>  <CAS Number> (148)
152044-53-6

$$$$
Floxuridine.cdx
csChFnd80/10101813162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.4963    3.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (149)
240

>  <Formula> (149)
C9H11FN2O5

>  <MolWeight> (149)
246.1924432

>  <Item Name> (149)
Floxuridine

>  <Catalog Number> (149)
S1299

>  <Synonyms> (149)
Fludara, Fluorodeoxyuridine, FUDR, FdUrd, Floxuridin, FAMP 

>  <Target> (149)
DNA/RNA Synthesis

>  <Form> (149)
Free Base

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

>  <CAS Number> (149)
50-91-9

$$$$
Ftorafur.cdx
csChFnd80/10101813162D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (150)
241

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Tegafur (FT-207, NSC 148958)

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S1300

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N/A

>  <Target> (150)
DNA/RNA Synthesis

>  <Form> (150)
Free Base

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

>  <CAS Number> (150)
17902-23-7

$$$$
Ifosfamide.cdx
csChFnd80/10101813162D

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243

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C7H15Cl2N2O2P

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Ifosfamide

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S1302

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Mitoxana, Ifex

>  <Target> (151)
DNA/RNA Synthesis

>  <Form> (151)
Free Base

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

>  <CAS Number> (151)
3778-73-2

$$$$
Megestrol Acetate.cdx
csChFnd80/10101813162D

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244

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C24H32O4

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384.50848

>  <Item Name> (152)
Megestrol Acetate

>  <Catalog Number> (152)
S1304

>  <Synonyms> (152)
Megace, Megace ES

>  <Target> (152)
Androgen Receptor

>  <Form> (152)
Free Base

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

>  <CAS Number> (152)
595-33-5

$$$$
Mercaptopurine.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (153)
245

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C5H4N4S

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Mercaptopurine (6-MP)

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S1305

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N/A

>  <Target> (153)
DNA/RNA Synthesis 

>  <Form> (153)
Free Base

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

>  <CAS Number> (153)
50-44-2

$$$$
Streptozocin.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (154)
247

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C8H15N3O7

>  <MolWeight> (154)
265.2206

>  <Item Name> (154)
Streptozotocin (STZ)

>  <Catalog Number> (154)
S1312

>  <Synonyms> (154)
NSC-85998

>  <Target> (154)
DNA alkylator

>  <Form> (154)
Free Base

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

>  <CAS Number> (154)
18883-66-4

$$$$
ki16425.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (155)
249

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C23H23ClN2O5S

>  <MolWeight> (155)
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Ki16425

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S1315

>  <Synonyms> (155)
N/A

>  <Target> (155)
LPA Receptor

>  <Form> (155)
Free Base

>  <URL> (155)
http://www.selleckchem.com/products/Ki16425.html

>  <CAS Number> (155)
355025-24-0 

$$$$
Costunolide.cdx
csChFnd80/10101813162D

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252

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C15H20O2

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>  <Item Name> (156)
Costunolide

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N/A

>  <Target> (156)
Telomerase

>  <Form> (156)
Free Base

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

>  <CAS Number> (156)
553-21-9

$$$$
Dexamethasone.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (157)
253

>  <Formula> (157)
C22H29FO5

>  <MolWeight> (157)
392.4610632

>  <Item Name> (157)
Dexamethasone

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S1322

>  <Synonyms> (157)
Decadron

>  <Target> (157)
IL Receptor

>  <Form> (157)
Free Base

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

>  <CAS Number> (157)
50-02-2

$$$$
Ellagic acid.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (158)
255

>  <Formula> (158)
C14H6O8

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Ellagic acid

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S1327

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N/A

>  <Target> (158)
Topoisomerases

>  <Form> (158)
Free Base

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

>  <CAS Number> (158)
476-66-4

$$$$
Genistein.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (159)
265

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C15H10O5

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Genistein

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S1342

>  <Synonyms> (159)
N/A

>  <Target> (159)
Topoisomerase
EGFR

>  <Form> (159)
Free Base

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

>  <CAS Number> (159)
446-72-0

$$$$
TG100-115.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (160)
269

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C18H14N6O2

>  <MolWeight> (160)
346.34276

>  <Item Name> (160)
TG100-115

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S1352

>  <Synonyms> (160)
N/A

>  <Target> (160)
PI3K

>  <Form> (160)
Free Base

>  <URL> (160)
http://www.selleckchem.com/products/TG100-115.html

>  <CAS Number> (160)
677297-51-7

$$$$
mgcd265.cdx
csChFnd80/10101813162D

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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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228559-41-9

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Microtubule Associated

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Amonafide

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AS1413, Xanafide, Quinamed

>  <Target> (165)
Topoisomerase

>  <Form> (165)
Free Base

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

>  <CAS Number> (165)
69408-81-7

$$$$
Pelitinib.cdx
csChFnd80/10101813162D

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S1392

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WAY-EKB 569

>  <Target> (166)
EGFR

>  <Form> (166)
Free Base

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

>  <CAS Number> (166)
257933-82-7

$$$$
S1130.cdx
csChFnd80/10101813162D

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>  <Formula> (167)
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S1130

>  <Synonyms> (167)
N/A

>  <Target> (167)
Survivin

>  <Form> (167)
Bromide

>  <URL> (167)
http://www.selleckchem.com/products/YM155.html

>  <CAS Number> (167)
781661-94-7

$$$$
Droxinostat.cdx
csChFnd80/10101813162D

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HDAC 

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Free Base

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

>  <CAS Number> (168)
99873-43-5

$$$$
Zileuton.cdx
csChFnd80/10101813162D

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328

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ZYFLO

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Lipoxygenase

>  <Form> (169)
Free Base

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

>  <CAS Number> (169)
111406-87-2

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/10101813162D

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  3  9  1  0  0  0  0
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M  END
>  <Mol_ID> (170)
333

>  <Formula> (170)
C31H31ClFN7O2

>  <MolWeight> (170)
588.0749432

>  <Item Name> (170)
Aurora A Inhibitor I

>  <Catalog Number> (170)
S1451

>  <Synonyms> (170)
N/A

>  <Target> (170)
Aurora Kinase

>  <Form> (170)
Free Base

>  <URL> (170)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

>  <CAS Number> (170)
1158838-45-9

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (171)
334

>  <Formula> (171)
C30H33ClN4O2

>  <MolWeight> (171)
517.06162

>  <Item Name> (171)
Ispinesib (SB-715992)

>  <Catalog Number> (171)
S1452

>  <Synonyms> (171)
N/A 

>  <Target> (171)
Kinesin

>  <Form> (171)
Free Base

>  <URL> (171)
http://www.selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

>  <CAS Number> (171)
336113-53-2

$$$$
Tipifarnib.cdx
csChFnd80/10101813162D

 34 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (172)
335

>  <Formula> (172)
C27H22Cl2N4O

>  <MolWeight> (172)
489.39578

>  <Item Name> (172)
Tipifarnib (Zarnestra)

>  <Catalog Number> (172)
S1453

>  <Synonyms> (172)
R115777

>  <Target> (172)
Farnesyltransferase, Ras

>  <Form> (172)
Free Base

>  <URL> (172)
http://www.selleckchem.com/products/Tipifarnib(R115777).html

>  <CAS Number> (172)
192185-72-1

$$$$
untitled.cdx
csChFnd80/10101813162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (173)
338

>  <Formula> (173)
C19H16N6O4S

>  <MolWeight> (173)
424.43314

>  <Item Name> (173)
Zibotentan (ZD4054)

>  <Catalog Number> (173)
S1456

>  <Synonyms> (173)
N/A

>  <Target> (173)
ETA Receptor

>  <Form> (173)
Free Base

>  <URL> (173)
http://www.selleckchem.com/products/Zibotentan(ZD4054).html

>  <CAS Number> (173)
186497-07-4

$$$$
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1226056-71-8

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sp600125.cdx
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129-56-6

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HIF

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Free Base

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

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808118-40-3

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Doxercalciferol.cdx
csChFnd80/10101813162D

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Hectorol

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Vitamin

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

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54573-75-0

$$$$
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csChFnd80/10101813162D

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252916-29-3

$$$$
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PI3K, VEGFR

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Free Base

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http://www.selleckchem.com/products/PIK-93.html

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593960-11-3

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N/A 

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Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (188)
Free Base

>  <URL> (188)
http://www.selleckchem.com/products/AP24534.html

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943319-70-8

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S1494

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N/A

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p38 MAPK

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Dimesylate

>  <URL> (189)
http://www.selleckchem.com/products/LY2228820.html

>  <CAS Number> (189)
862507-23-1

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CellCept, RS 61443, TM-MMF

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Dehydrogenase

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Free Base

>  <URL> (190)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

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128794-94-5

$$$$
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mTOR

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955365-80-7

$$$$
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csChFnd80/10101813162D

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Flt

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A-966492.cdx
csChFnd80/10101813162D

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PARP

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Free Base

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http://www.selleckchem.com/products/A-966492.html

>  <CAS Number> (196)
934162-61-5

$$$$
Hesperadin .cdx
csChFnd80/10101813162D

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Aurora Kinase

>  <Form> (197)
Free Base

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

>  <CAS Number> (197)
422513-13-1

$$$$
AZD7762.cdx
csChFnd80/10101813162D

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Chk

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>  <URL> (198)
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>  <CAS Number> (198)
860352-01-8

$$$$
R406 free base.cdx
csChFnd80/10101813162D

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Syk 

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Free Base

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

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841290-80-0

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DMXAA.cdx
csChFnd80/10101813162D

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117570-53-3

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Febuxostat.cdx
csChFnd80/10101813162D

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Adenuric

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Others

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Free Base

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http://www.selleckchem.com/products/Febuxostat(Uloric).html

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144060-53-7

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/10101813162D

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SGLT 

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Free Base

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461432-26-8

$$$$
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TNF-alpha, COX

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19171-19-8

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391210-00-7 

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    3.1388    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (212)
424

>  <Formula> (212)
C14H18ClN3O2S

>  <MolWeight> (212)
327.82962

>  <Item Name> (212)
Fasudil HCl (HA-1077)

>  <Catalog Number> (212)
S1573

>  <Synonyms> (212)
AT-877 

>  <Target> (212)
ROCK

>  <Form> (212)
Hydrochloride

>  <URL> (212)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

>  <CAS Number> (212)
105628-07-7

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/10101813162D

 39 43  0  0  0  0  0  0  0  0999 V2000
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   10.7285    3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (213)
425

>  <Formula> (213)
C31H37N5O3

>  <MolWeight> (213)
527.65718

>  <Item Name> (213)
BIRB 796 (Doramapimod)

>  <Catalog Number> (213)
S1574

>  <Synonyms> (213)
N/A

>  <Target> (213)
p38 MAPK

>  <Form> (213)
Free Base

>  <URL> (213)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

>  <CAS Number> (213)
285983-48-4

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/10101813162D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (214)
427

>  <Formula> (214)
C26H21N3O2S

>  <MolWeight> (214)
439.52884

>  <Item Name> (214)
Tie2 kinase inhibitor

>  <Catalog Number> (214)
S1577

>  <Synonyms> (214)
N/A

>  <Target> (214)
Tie-2

>  <Form> (214)
Free Base

>  <URL> (214)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

>  <CAS Number> (214)
948557-43-5

$$$$

csChFnd80/10101813162D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (215)
437

>  <Formula> (215)
C27H30Cl2F2N6O

>  <MolWeight> (215)
563.4695064

>  <Item Name> (215)
NVP-BSK805 2HCl

>  <Catalog Number> (215)
S2686 

>  <Synonyms> (215)
N/A

>  <Target> (215)
JAK

>  <Form> (215)
HCl

>  <URL> (215)
http://www.selleckchem.com/products/nvp-bsk805.html

>  <CAS Number> (215)
1092499-93-8 (free base)

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/10101813162D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    8.4744    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8059    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2040    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6203    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1582    4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5096    5.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8610    5.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6203    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 14 19  1  1  0  0  0
 12 20  1  1  0  0  0
 17 21  1  1  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 23 24  1  0  0  0  0
 19 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 19  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
  9 33  1  1  0  0  0
 11 34  1  6  0  0  0
M  END
>  <Mol_ID> (216)
445

>  <Formula> (216)
C29H35NO2

>  <MolWeight> (216)
429.5937

>  <Item Name> (216)
Mifepristone (Mifeprex)

>  <Catalog Number> (216)
S2606

>  <Synonyms> (216)
RU-486, Mifegyne 

>  <Target> (216)
Estrogen/progestogen Receptor

>  <Form> (216)
Free Base

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

>  <CAS Number> (216)
84371-65-3

$$$$
FERNISONE (prednisone).cdx
csChFnd80/10101813162D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9081    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0225    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    6.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2308    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  2  0  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 12 24  1  1  0  0  0
 17 25  1  1  0  0  0
 17 26  1  6  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (217)
451

>  <Formula> (217)
C21H26O5

>  <MolWeight> (217)
358.42814

>  <Item Name> (217)
Prednisone (Adasone)

>  <Catalog Number> (217)
S1622

>  <Synonyms> (217)
Deltasone, Liquid Pred, Orasone, Adasone

>  <Target> (217)
Glucocorticoid Receptor

>  <Form> (217)
Free Base

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

>  <CAS Number> (217)
53-03-2

$$$$
ALENDRONATE SODIUM (alendronate sodium).cdx
csChFnd80/10101813162D

 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> (218)
453

>  <Formula> (218)
C4H19NNaO10P2

>  <MolWeight> (218)
326.131652

>  <Item Name> (218)
Alendronate sodium trihydrate

>  <Catalog Number> (218)
S1624

>  <Synonyms> (218)
N/A

>  <Target> (218)
Others

>  <Form> (218)
Sodium Salt

>  <URL> (218)
http://www.selleckchem.com/products/Alendronate-Sodium(Fosamax).html

>  <CAS Number> (218)
121268-17-5

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/10101813162D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4563    6.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    7.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6119    7.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 16 26  1  6  0  0  0
 17 28  1  6  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 23 33  2  0  0  0  0
M  END
>  <Mol_ID> (219)
457

>  <Formula> (219)
C24H31FO6

>  <MolWeight> (219)
434.4977432

>  <Item Name> (219)
Triamcinolone Acetonide

>  <Catalog Number> (219)
S1628

>  <Synonyms> (219)
Azmacort

>  <Target> (219)
Glucocorticoid Receptor

>  <Form> (219)
Free Base

>  <URL> (219)
http://www.selleckchem.com/products/Triamcinolone-Acetonide.html

>  <CAS Number> (219)
76-25-5 

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/10101813162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7834    3.2220    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (220)
460

>  <Formula> (220)
C5H4N4NaO+

>  <MolWeight> (220)
159.10123

>  <Item Name> (220)
Allopurinol Sodium (Aloprim)

>  <Catalog Number> (220)
S1631

>  <Synonyms> (220)
 Lopurin, Zyloprim, Aloprim

>  <Target> (220)
Others

>  <Form> (220)
Sodium Salt

>  <URL> (220)
http://www.selleckchem.com/products/Allopurinol-Sodium(Aloprim).html

>  <CAS Number> (220)
17795-21-0

$$$$
AT101.cdx
csChFnd80/10101813162D

 42 44  0  0  0  0  0  0  0  0999 V2000
    8.1705    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8705    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8705    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7705    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (221)
474

>  <Formula> (221)
C32H34O10

>  <MolWeight> (221)
578.60636

>  <Item Name> (221)
AT101

>  <Catalog Number> (221)
S2812

>  <Synonyms> (221)
N/A

>  <Target> (221)
Bcl-2

>  <Form> (221)
Free Base

>  <URL> (221)
http://www.selleckchem.com/products/at101.html

>  <CAS Number> (221)
866541-93-7

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/10101813162D

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>  <Mol_ID> (222)
475

>  <Formula> (222)
C9H13N3O5

>  <MolWeight> (222)
243.21662

>  <Item Name> (222)
Cytarabine

>  <Catalog Number> (222)
S1648

>  <Synonyms> (222)
N/A 

>  <Target> (222)
Others

>  <Form> (222)
Free Base

>  <URL> (222)
http://www.selleckchem.com/products/Cytarabine(Cytosar-U).html

>  <CAS Number> (222)
147-94-4

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (223)
479

>  <Formula> (223)
C20H28O2

>  <MolWeight> (223)
300.43512

>  <Item Name> (223)
All-trans Retinoic Acid (Tretinoin)

>  <Catalog Number> (223)
S1653

>  <Synonyms> (223)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (223)
Retinoid Receptor

>  <Form> (223)
Free Base

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

>  <CAS Number> (223)
302-79-4

$$$$
EZETIMIBE (ezetimibe).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (224)
481

>  <Formula> (224)
C24H21F2NO3

>  <MolWeight> (224)
409.4252464

>  <Item Name> (224)
Ezetimibe (Zetia)

>  <Catalog Number> (224)
S1655

>  <Synonyms> (224)
Zetia, Ezetrol

>  <Target> (224)
Others

>  <Form> (224)
Free Base

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

>  <CAS Number> (224)
163222-33-1

$$$$
ESTROGENIC SUBSTANCE (estrone).cdx
csChFnd80/10101813162D

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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 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> (225)
484

>  <Formula> (225)
C18H22O2

>  <MolWeight> (225)
270.36608

>  <Item Name> (225)
Estrone

>  <Catalog Number> (225)
S1665

>  <Synonyms> (225)
Oestrone

>  <Target> (225)
Estrogen/progestogen Receptor

>  <Form> (225)
Free Base

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

>  <CAS Number> (225)
53-16-7 

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/10101813162D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
>  <Mol_ID> (226)
492

>  <Formula> (226)
C10H20N2S4

>  <MolWeight> (226)
296.5392

>  <Item Name> (226)
Disulfiram (Antabuse)

>  <Catalog Number> (226)
S1680

>  <Synonyms> (226)
Antabuse, Antabus

>  <Target> (226)
Dehydrogenase

>  <Form> (226)
Free Base

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

>  <CAS Number> (226)
97-77-8

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/10101813162D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9394    5.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    6.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  2  0  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 17 26  1  6  0  0  0
 17 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (227)
496

>  <Formula> (227)
C22H28O5

>  <MolWeight> (227)
372.45472

>  <Item Name> (227)
Betapar (Meprednisone)

>  <Catalog Number> (227)
S1689

>  <Synonyms> (227)
Betanisona

>  <Target> (227)
Glucocorticoid Receptor

>  <Form> (227)
Free Base

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

>  <CAS Number> (227)
1247-42-3

$$$$
BUSULFEX (busulfan).cdx
csChFnd80/10101813162D

 14 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    1.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    1.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    3.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    3.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0013    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4061    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (228)
499

>  <Formula> (228)
C6H14O6S2

>  <MolWeight> (228)
246.30176

>  <Item Name> (228)
Busulfan (Myleran, Busulfex)

>  <Catalog Number> (228)
S1692

>  <Synonyms> (228)
Myleran, Busulfex

>  <Target> (228)
NULL

>  <Form> (228)
Free Base

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

>  <CAS Number> (228)
55-98-1

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/10101813162D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8288    7.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9798    4.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 14 24  1  1  0  0  0
 17 25  1  1  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 17 29  1  6  0  0  0
M  END
>  <Mol_ID> (229)
502

>  <Formula> (229)
C21H30O5

>  <MolWeight> (229)
362.4599

>  <Item Name> (229)
Hydrocortisone (Cortisol)

>  <Catalog Number> (229)
S1696

>  <Synonyms> (229)
Cortisol

>  <Target> (229)
Glucocorticoid Receptor

>  <Form> (229)
Free Base

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

>  <CAS Number> (229)
50-23-7

$$$$
estradiol.cdx
csChFnd80/10101813162D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
M  END
>  <Mol_ID> (230)
511

>  <Formula> (230)
C18H24O2

>  <MolWeight> (230)
272.38196

>  <Item Name> (230)
Estradiol

>  <Catalog Number> (230)
S1709

>  <Synonyms> (230)
17¦Â-estradiol, oestradiol, 17¦Â-Oestradiol, ¦Â-Estradiol 

>  <Target> (230)
Estrogen/progestogen Receptor

>  <Form> (230)
Free Base

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

>  <CAS Number> (230)
50-28-2

$$$$
DCC-2036.cdx
csChFnd80/10101813162D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.3036    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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   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
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   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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   16.7780    0.6777    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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M  END
>  <Mol_ID> (231)
513

>  <Formula> (231)
C30H28FN7O3

>  <MolWeight> (231)
553.5868232

>  <Item Name> (231)
DCC-2036 (Rebastinib)

>  <Catalog Number> (231)
S2634

>  <Synonyms> (231)
N/A 

>  <Target> (231)
Bcr-Abl

>  <Form> (231)
Free Base

>  <URL> (231)
http://www.selleckchem.com/products/dcc-2036.html

>  <CAS Number> (231)
1020172-07-9

$$$$
IMURAN (azathioprine).cdx
csChFnd80/10101813162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.2157    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (232)
519

>  <Formula> (232)
C9H7N7O2S

>  <MolWeight> (232)
277.26258

>  <Item Name> (232)
Azathioprine (Azasan, Imuran)

>  <Catalog Number> (232)
S1721

>  <Synonyms> (232)
Azasan, Imuran, Azamun, BW-57-322, NSC-39084 

>  <Target> (232)
Rho

>  <Form> (232)
Free Base

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

>  <CAS Number> (232)
446-86-6

$$$$
Mesna.cdx
csChFnd80/10101813162D

  8  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.6976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0664    1.4000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  2  0  0  0  0
M  END
>  <Mol_ID> (233)
527

>  <Formula> (233)
C2H5NaO3S2

>  <MolWeight> (233)
164.17907

>  <Item Name> (233)
Mesna (Uromitexan, Mesnex)

>  <Catalog Number> (233)
S1735

>  <Synonyms> (233)
Uromitexan, Mesnex

>  <Target> (233)
Others

>  <Form> (233)
Sodium Salt

>  <URL> (233)
http://www.selleckchem.com/products/Mesna(Uromitexan).html

>  <CAS Number> (233)
19767-45-4

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/10101813162D

 11 12  0  0  0  0  0  0  0  0999 V2000
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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
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  2 10  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (234)
543

>  <Formula> (234)
C5H5N5S

>  <MolWeight> (234)
167.1917

>  <Item Name> (234)
Thioguanine

>  <Catalog Number> (234)
S1774

>  <Synonyms> (234)
6-Thioguanine

>  <Target> (234)
Others

>  <Form> (234)
Free Base

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

>  <CAS Number> (234)
154-42-7

$$$$
Thiotepa.cdx
csChFnd80/10101813162D

 11 13  0  0  0  0  0  0  0  0999 V2000
    2.6124    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <Mol_ID> (235)
544

>  <Formula> (235)
C6H12N3PS

>  <MolWeight> (235)
189.218341

>  <Item Name> (235)
Thiotepa (Thioplex)

>  <Catalog Number> (235)
S1775

>  <Synonyms> (235)
Tiofosyl, Tiofosfamid, Triethylenethiophosphoramide 

>  <Target> (235)
Others

>  <Form> (235)
Free Base

>  <URL> (235)
http://www.selleckchem.com/products/Thiotepa(Thioplex).html

>  <CAS Number> (235)
52-24-4

$$$$
TRIFLURIDINE (trifluridine).cdx
csChFnd80/10101813162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.6782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    6.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.7782    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.8709    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.1758    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.2831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.1207    1.1287    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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  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  2  0  0  0  0
  6  8  2  0  0  0  0
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  9 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
 15 18  1  1  0  0  0
 16 19  1  6  0  0  0
 19 20  1  0  0  0  0
 13  3  1  6  0  0  0
M  END
>  <Mol_ID> (236)
546

>  <Formula> (236)
C10H11F3N2O5

>  <MolWeight> (236)
296.1999496

>  <Item Name> (236)
Trifluridine (Viroptic)

>  <Catalog Number> (236)
S1778

>  <Synonyms> (236)
Viroptic, Trifluorothymidine

>  <Target> (236)
NULL

>  <Form> (236)
Free Base

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

>  <CAS Number> (236)
70-00-8

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/10101813162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  1  6  1  1  0  0  0
  5  7  1  1  0  0  0
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  9 11  1  0  0  0  0
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 12 13  2  0  0  0  0
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 15  9  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (237)
547

>  <Formula> (237)
C8H12N4O5

>  <MolWeight> (237)
244.20468

>  <Item Name> (237)
Azacitidine (Vidaza)

>  <Catalog Number> (237)
S1782

>  <Synonyms> (237)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (237)
DNA/RNA Synthesis

>  <Form> (237)
Free Base

>  <URL> (237)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

>  <CAS Number> (237)
320-67-2

$$$$
VUMON (teniposide).cdx
csChFnd80/10101813162D

 47 54  0  0  0  0  0  0  0  0999 V2000
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    8.4373    3.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1554    9.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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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 31 32  1  0  0  0  0
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 33 28  1  0  0  0  0
 30 34  1  6  0  0  0
 28 27  1  6  0  0  0
 29 35  1  1  0  0  0
 36 37  1  0  0  0  0
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 43 44  1  0  0  0  0
 44 40  1  0  0  0  0
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 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47  6  1  0  0  0  0
 31 36  1  1  0  0  0
M  END
>  <Mol_ID> (238)
549

>  <Formula> (238)
C32H32O13S

>  <MolWeight> (238)
656.65368

>  <Item Name> (238)
Teniposide (Vumon)

>  <Catalog Number> (238)
S1787

>  <Synonyms> (238)
Vumon, VM-26, Vehem, NSC 122819 

>  <Target> (238)
Topoisomerase

>  <Form> (238)
Free Base

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

>  <CAS Number> (238)
29767-20-2

$$$$
ZOCOR (simvastatin).cdx
csChFnd80/10101813162D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4122    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1165    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8867    9.0854    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  2  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (239)
551

>  <Formula> (239)
C25H38O5

>  <MolWeight> (239)
418.56622

>  <Item Name> (239)
Simvastatin (Zocor)

>  <Catalog Number> (239)
S1792

>  <Synonyms> (239)
Simlup, Simcard, Simvacor, Simvoget, Zorced 

>  <Target> (239)
HMG-CoA Reductase

>  <Form> (239)
Free Base

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

>  <CAS Number> (239)
79902-63-9

$$$$
CEENU (lomustine).cdx
csChFnd80/10101813162D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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M  END
>  <Mol_ID> (240)
565

>  <Formula> (240)
C9H16ClN3O2

>  <MolWeight> (240)
233.69524

>  <Item Name> (240)
Lomustine (CeeNU)

>  <Catalog Number> (240)
S1840

>  <Synonyms> (240)
CCNU 

>  <Target> (240)
DNA/RNA Synthesis

>  <Form> (240)
Free Base

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

>  <CAS Number> (240)
13010-47-4

$$$$
cimetidine.cdx
csChFnd80/10101813162D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.8200    2.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2200    2.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (241)
567

>  <Formula> (241)
C10H16N6S

>  <MolWeight> (241)
252.33924

>  <Item Name> (241)
Cimetidine (Tagamet)

>  <Catalog Number> (241)
S1845

>  <Synonyms> (241)
Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil 

>  <Target> (241)
NULL

>  <Form> (241)
Free Base

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

>  <CAS Number> (241)
51481-61-9

$$$$
Metformin hydrochloride.cdx
csChFnd80/10101813162D

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    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (242)
578

>  <Formula> (242)
C4H12ClN5

>  <MolWeight> (242)
165.62458

>  <Item Name> (242)
Metformin hydrochloride (Glucophage)

>  <Catalog Number> (242)
S1950

>  <Synonyms> (242)
Glucophage, Riomet, Diabex

>  <Target> (242)
Others

>  <Form> (242)
Hydrochloride

>  <URL> (242)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

>  <CAS Number> (242)
1115-70-4

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/10101813162D

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 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (243)
584

>  <Formula> (243)
C32H37NO8

>  <MolWeight> (243)
563.63808

>  <Item Name> (243)
Tamoxifen Citrate (Nolvadex)

>  <Catalog Number> (243)
S1972

>  <Synonyms> (243)
Istubal

>  <Target> (243)
Estrogen/progestogen Receptor

>  <Form> (243)
Citrate

>  <URL> (243)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

>  <CAS Number> (243)
54965-24-1

$$$$
Sodium butyrate.cdx
csChFnd80/10101813162D

  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
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (244)
589

>  <Formula> (244)
C4H7NaO2

>  <MolWeight> (244)
110.08695

>  <Item Name> (244)
Sodium butyrate

>  <Catalog Number> (244)
S1999

>  <Synonyms> (244)
Butyric acid sodium salt

>  <Target> (244)
HDAC

>  <Form> (244)
Sodium Salt

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

>  <CAS Number> (244)
156-54-7

$$$$
untitled.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (245)
592

>  <Formula> (245)
C29H41F2N5O

>  <MolWeight> (245)
513.6655464

>  <Item Name> (245)
Maraviroc

>  <Catalog Number> (245)
S2003

>  <Synonyms> (245)
UK-427857, Celsentri 

>  <Target> (245)
CCR5 

>  <Form> (245)
Free Base

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

>  <CAS Number> (245)
376348-65-1

$$$$
Silibinin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (246)
600

>  <Formula> (246)
C25H22O10

>  <MolWeight> (246)
482.43618

>  <Item Name> (246)
Silibinin (Silybin)

>  <Catalog Number> (246)
S2357

>  <Synonyms> (246)
Silybin

>  <Target> (246)
Others

>  <Form> (246)
Free Base

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

>  <CAS Number> (246)
22888-70-6

$$$$
Tanshinone I.cdx
csChFnd80/10101813162D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (247)
606

>  <Formula> (247)
C18H12O3

>  <MolWeight> (247)
276.28608

>  <Item Name> (247)
Tanshinone I

>  <Catalog Number> (247)
S2364

>  <Synonyms> (247)
N/A

>  <Target> (247)
Others

>  <Form> (247)
Free Base

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

>  <CAS Number> (247)
568-73-0

$$$$
Ursolic acid.cdx
csChFnd80/10101813162D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (248)
611

>  <Formula> (248)
C30H48O3

>  <MolWeight> (248)
456.70032

>  <Item Name> (248)
Ursolic acid (Malol)

>  <Catalog Number> (248)
S2370

>  <Synonyms> (248)
Malol, Prunol, Urson

>  <Target> (248)
Others

>  <Form> (248)
Free Base

>  <URL> (248)
http://www.selleckchem.com/products/Ursolic-acid(Malol).html

>  <CAS Number> (248)
77-52-1

$$$$
Aloin.cdx
csChFnd80/10101813162D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.6903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6373    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (249)
616

>  <Formula> (249)
C21H22O9

>  <MolWeight> (249)
418.39398

>  <Item Name> (249)
Aloin (Barbaloin)

>  <Catalog Number> (249)
S2375 

>  <Synonyms> (249)
Barbaloin

>  <Target> (249)
Tyrosinase

>  <Form> (249)
Free Base

>  <URL> (249)
http://www.selleckchem.com/products/Aloin(Barbaloin).html

>  <CAS Number> (249)
1415-73-2 

$$$$
Dioscin.cdx
csChFnd80/10101813162D

 69 77  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.9097    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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Collettiside III, CCRIS 4123 

>  <Target> (250)
Others

>  <Form> (250)
Free Base

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http://www.selleckchem.com/products/Dioscin(Collettiside-III).html

>  <CAS Number> (250)
19057-60-4 

$$$$
Indirubin.cdx
csChFnd80/10101813162D

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M  END
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C16H10N2O2

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262.2628

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Indirubin

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S2386

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N/A

>  <Target> (251)
GSK-3

>  <Form> (251)
Free Base

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

>  <CAS Number> (251)
479-41-4 

$$$$
E7080.cdx
csChFnd80/10101813162D

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652

>  <Formula> (252)
C21H19ClN4O4

>  <MolWeight> (252)
426.85296

>  <Item Name> (252)
E7080 (Lenvatinib)

>  <Catalog Number> (252)
S1164 

>  <Synonyms> (252)
N/A

>  <Target> (252)
VEGFR

>  <Form> (252)
Free Base

>  <URL> (252)
http://www.selleckchem.com/products/E7080.html

>  <CAS Number> (252)
417716-92-8

$$$$
Dexamethasone acetate.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (253)
656

>  <Formula> (253)
C24H31FO6

>  <MolWeight> (253)
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>  <Item Name> (253)
Dexamethasone acetate

>  <Catalog Number> (253)
S3124

>  <Synonyms> (253)
N/A

>  <Target> (253)
IL Receptor,Autophagy

>  <Form> (253)
Free Base

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

>  <CAS Number> (253)
1177-87-3

$$$$
Neratinib.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (254)
662

>  <Formula> (254)
C30H29ClN6O3

>  <MolWeight> (254)
557.04266

>  <Item Name> (254)
Neratinib (HKI-272)

>  <Catalog Number> (254)
S2150

>  <Synonyms> (254)
N/A 

>  <Target> (254)
HER2, EGFR

>  <Form> (254)
Free Base

>  <URL> (254)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

>  <CAS Number> (254)
698387-09-6

$$$$
LDE225.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (255)
667

>  <Formula> (255)
C26H26F3N3O3

>  <MolWeight> (255)
485.4981496

>  <Item Name> (255)
LDE225 (NVP-LDE225, Erismodegib)

>  <Catalog Number> (255)
S2151

>  <Synonyms> (255)
N/A 

>  <Target> (255)
Smoothened

>  <Form> (255)
Free Base

>  <URL> (255)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

>  <CAS Number> (255)
956697-53-3

$$$$
KW2449.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (256)
669

>  <Formula> (256)
C20H20N4O

>  <MolWeight> (256)
332.399

>  <Item Name> (256)
KW 2449

>  <Catalog Number> (256)
S2158

>  <Synonyms> (256)
N/A

>  <Target> (256)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (256)
Free Base

>  <URL> (256)
http://www.selleckchem.com/products/KW-2449.html

>  <CAS Number> (256)
1000669-72-6

$$$$
Cyclophosphamide monohydrate.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (257)
674

>  <Formula> (257)
C7H17Cl2N2O3P

>  <MolWeight> (257)
279.101241

>  <Item Name> (257)
Cyclophosphamide monohydrate

>  <Catalog Number> (257)
S2057

>  <Synonyms> (257)
N/A

>  <Target> (257)
DNA alkylator

>  <Form> (257)
Monohydrate

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

>  <CAS Number> (257)
6055-19-2

$$$$
AG14361.cdx
csChFnd80/10101813162D

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JAK 

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Proteasome

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Pim

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Free Base

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c-Met, VEGFR

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http://www.selleckchem.com/products/BMS-794833.html

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1174046-72-0

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

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940310-85-0

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OSI 420.cdx
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CP-473420 

>  <Target> (269)
EGFR

>  <Form> (269)
Hydrochloride

>  <URL> (269)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

>  <CAS Number> (269)
183320-51-6

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

>  <Target> (270)
Aromatase 

>  <Form> (270)
Free Base

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

>  <CAS Number> (270)
566-48-3

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C23H26F2N2O4

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432.4603464

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DAPT (GSI-IX)

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S2215 

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GSI-IX

>  <Target> (271)
Gamma-secretase, Beta Amyloid

>  <Form> (271)
Free Base

>  <URL> (271)
http://www.selleckchem.com/products/DAPT-GSI-IX.html

>  <CAS Number> (271)
208255-80-5

$$$$
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csChFnd80/10101813162D

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704

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>  <Target> (272)
HER2

>  <Form> (272)
Free Base

>  <URL> (272)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

>  <CAS Number> (272)
366017-09-6

$$$$
irinotecan.cdx
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>  <Mol_ID> (273)
705

>  <Formula> (273)
C33H45ClN4O9

>  <MolWeight> (273)
677.1848

>  <Item Name> (273)
Irinotecan HCl Trihydrate (Campto)

>  <Catalog Number> (273)
S2217 

>  <Synonyms> (273)
CPT 11, Camptosar, Campto, Irinotecan 

>  <Target> (273)
Topoisomerase

>  <Form> (273)
HCl & trihydrat

>  <URL> (273)
http://www.selleckchem.com/products/Irinotecan-Hcl-Trihydrate-Campto.html

>  <CAS Number> (273)
136572-09-3

$$$$
PP442.cdx
csChFnd80/10101813162D

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706

>  <Formula> (274)
C16H16N6O

>  <MolWeight> (274)
308.33784

>  <Item Name> (274)
Torkinib (PP242)

>  <Catalog Number> (274)
S2218

>  <Synonyms> (274)
TORKinib 

>  <Target> (274)
mTOR

>  <Form> (274)
Free Base

>  <URL> (274)
http://www.selleckchem.com/products/PP242.html

>  <CAS Number> (274)
1092351-67-1

$$$$
CYT 387.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (275)
707

>  <Formula> (275)
C23H22N6O2

>  <MolWeight> (275)
414.45978

>  <Item Name> (275)
Momelotinib (CYT387)

>  <Catalog Number> (275)
S2219

>  <Synonyms> (275)
CYT 11387 

>  <Target> (275)
JAK 

>  <Form> (275)
Free Base

>  <URL> (275)
http://www.selleckchem.com/products/Cyt387.html

>  <CAS Number> (275)
1056634-68-4

$$$$
SB 590885.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (276)
708

>  <Formula> (276)
C27H27N5O2

>  <MolWeight> (276)
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>  <Item Name> (276)
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>  <Synonyms> (276)
GSK2118436 

>  <Target> (276)
Raf

>  <Form> (276)
Free Base

>  <URL> (276)
http://www.selleckchem.com/products/SB590885.html

>  <CAS Number> (276)
405554-55-4 

$$$$
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 22 32  1  0  0  0  0
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M  END
>  <Mol_ID> (277)
710

>  <Formula> (277)
C22H18O11

>  <MolWeight> (277)
458.37172

>  <Item Name> (277)
(-)-Epigallocatechin gallate

>  <Catalog Number> (277)
S2250

>  <Synonyms> (277)
EGCG

>  <Target> (277)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (277)
Free Base

>  <URL> (277)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

>  <CAS Number> (277)
989-51-5

$$$$
Andrographolide.cdx
csChFnd80/10101813162D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  4  1  0  0  0  0
  1 11  1  6  0  0  0
  4 12  1  6  0  0  0
  2 13  1  6  0  0  0
 10 14  1  6  0  0  0
 13 15  1  0  0  0  0
  9 16  2  0  0  0  0
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  3 26  1  1  0  0  0
M  END
>  <Mol_ID> (278)
717

>  <Formula> (278)
C20H30O5

>  <MolWeight> (278)
350.4492

>  <Item Name> (278)
Andrographolide

>  <Catalog Number> (278)
S2261

>  <Synonyms> (278)
N/A

>  <Target> (278)
NF-¦ÊB

>  <Form> (278)
Free Base

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

>  <CAS Number> (278)
5508-58-7

$$$$
Cyclosporin A.cdx
csChFnd80/10101813162D

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    7.2831    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    8.4171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   19.4496    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (279)
738

>  <Formula> (279)
C62H111N11O12

>  <MolWeight> (279)
1202.61124

>  <Item Name> (279)
Cyclosporin A

>  <Catalog Number> (279)
S2286

>  <Synonyms> (279)
Cyclosporine A

>  <Target> (279)
phosphatase

>  <Form> (279)
Free Base

>  <URL> (279)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

>  <CAS Number> (279)
59865-13-3

$$$$
dihydroartemisinin.cdx
csChFnd80/10101813162D

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 10  4  1  0  0  0  0
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 14  5  1  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (280)
740

>  <Formula> (280)
C15H24O5

>  <MolWeight> (280)
284.34806

>  <Item Name> (280)
Dihydroartemisinin (DHA)

>  <Catalog Number> (280)
S2290

>  <Synonyms> (280)
N/A 

>  <Target> (280)
Others

>  <Form> (280)
Free Base

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

>  <CAS Number> (280)
71939-50-9

$$$$
Diosmin.cdx
csChFnd80/10101813162D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (281)
742

>  <Formula> (281)
C28H32O15

>  <MolWeight> (281)
608.54468

>  <Item Name> (281)
Diosmin

>  <Catalog Number> (281)
S2292

>  <Synonyms> (281)
N/A

>  <Target> (281)
Others

>  <Form> (281)
Free Base

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

>  <CAS Number> (281)
520-27-4

$$$$
Emodin.cdx
csChFnd80/10101813162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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  3 18  2  0  0  0  0
 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (282)
745

>  <Formula> (282)
C15H10O5

>  <MolWeight> (282)
270.2369

>  <Item Name> (282)
Emodin

>  <Catalog Number> (282)
S2295

>  <Synonyms> (282)
N/A

>  <Target> (282)
Dehydrogenase

>  <Form> (282)
Free Base

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

>  <CAS Number> (282)
518-82-1

$$$$
10-Hydroxycamptothecin.cdx
csChFnd80/10101813162D

 27 31  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 13  2  0  0  0  0
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  2 22  1  0  0  0  0
 14 23  2  0  0  0  0
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M  END
>  <Mol_ID> (283)
748

>  <Formula> (283)
C20H16N2O5

>  <MolWeight> (283)
364.35144

>  <Item Name> (283)
10-Hydroxycamptothecin

>  <Catalog Number> (283)
S2423 

>  <Synonyms> (283)
N/A 

>  <Target> (283)
Topoisomerase

>  <Form> (283)
Free Base

>  <URL> (283)
http://www.selleckchem.com/products/10-hydroxycamptothecin.html

>  <CAS Number> (283)
19685-09-7

$$$$
Formononetin.cdx
csChFnd80/10101813162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (284)
750

>  <Formula> (284)
C16H12O4

>  <MolWeight> (284)
268.26408

>  <Item Name> (284)
Formononetin (Formononetol)

>  <Catalog Number> (284)
S2299

>  <Synonyms> (284)
Biochanin B, Formononetol 

>  <Target> (284)
Others

>  <Form> (284)
Free Base

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

>  <CAS Number> (284)
485-72-3

$$$$
Hesperidin.cdx
csChFnd80/10101813162D

 43 47  0  0  0  0  0  0  0  0999 V2000
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758

>  <Formula> (285)
C28H34O15

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610.56056

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Hesperidin

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S2309

>  <Synonyms> (285)
N/A

>  <Target> (285)
NULL

>  <Form> (285)
Free Base

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

>  <CAS Number> (285)
520-26-3

$$$$
Honokiol.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (286)
759

>  <Formula> (286)
C18H18O2

>  <MolWeight> (286)
266.33432

>  <Item Name> (286)
Honokiol

>  <Catalog Number> (286)
S2310

>  <Synonyms> (286)
N/A

>  <Target> (286)
Akt, MEK

>  <Form> (286)
Free Base

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

>  <CAS Number> (286)
35354-74-6

$$$$
Kaempferol.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (287)
763

>  <Formula> (287)
C15H10O6

>  <MolWeight> (287)
286.2363

>  <Item Name> (287)
Kaempferol

>  <Catalog Number> (287)
S2314

>  <Synonyms> (287)
N/A

>  <Target> (287)
Estrogen/progestogen Receptor modulator

>  <Form> (287)
Free Base

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

>  <CAS Number> (287)
520-18-3

$$$$
Limonin.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (288)
766

>  <Formula> (288)
C26H30O8

>  <MolWeight> (288)
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>  <Item Name> (288)
Limonin

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S2319

>  <Synonyms> (288)
N/A

>  <Target> (288)
Others

>  <Form> (288)
Free Base

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

>  <CAS Number> (288)
1180-71-8

$$$$
Luteolin.cdx
csChFnd80/10101813162D

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    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (289)
767

>  <Formula> (289)
C15H10O6

>  <MolWeight> (289)
286.2363

>  <Item Name> (289)
Luteolin

>  <Catalog Number> (289)
S2320

>  <Synonyms> (289)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (289)
PDE

>  <Form> (289)
Free Base

>  <URL> (289)
http://www.selleckchem.com/products/Luteolin(Luteolol).html

>  <CAS Number> (289)
491-70-3 

$$$$
matrine.cdx
csChFnd80/10101813162D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  2  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
  6 19  1  6  0  0  0
 10 20  1  6  0  0  0
 11 21  1  1  0  0  0
  5 22  1  6  0  0  0
M  END
>  <Mol_ID> (290)
769

>  <Formula> (290)
C15H24N2O

>  <MolWeight> (290)
248.36386

>  <Item Name> (290)
Matrine ((+)-Matrine)

>  <Catalog Number> (290)
S2322

>  <Synonyms> (290)
(+)-Matrine

>  <Target> (290)
Opioid Receptor

>  <Form> (290)
Free Base

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

>  <CAS Number> (290)
519-02-8 

$$$$
Nobiletin.cdx
csChFnd80/10101813162D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9035    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 18  2  0  0  0  0
 12 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
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 26 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (291)
777

>  <Formula> (291)
C21H22O8

>  <MolWeight> (291)
402.39458

>  <Item Name> (291)
Nobiletin (Hexamethoxyflavone)

>  <Catalog Number> (291)
S2333

>  <Synonyms> (291)
N/A 

>  <Target> (291)
MMP

>  <Form> (291)
Free Base

>  <URL> (291)
http://www.selleckchem.com/products/Nobiletin(Hexamethoxyflavone).html

>  <CAS Number> (291)
478-01-3

$$$$
Oleanolic Acid.cdx
csChFnd80/10101813162D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.0124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9077    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.1207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3953    9.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    5.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 19 27  1  1  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  2 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
  4 34  1  6  0  0  0
 10 35  1  6  0  0  0
 11 36  1  6  0  0  0
M  END
>  <Mol_ID> (292)
778

>  <Formula> (292)
C30H48O3

>  <MolWeight> (292)
456.70032

>  <Item Name> (292)
Oleanolic Acid (Caryophyllin)

>  <Catalog Number> (292)
S2334

>  <Synonyms> (292)
Caryophyllin, Astrantiagenin C, Giganteumgenin C, Virgaureagenin B 

>  <Target> (292)
Antifection

>  <Form> (292)
Free Base

>  <URL> (292)
http://www.selleckchem.com/products/Oleanolic-Acid(Caryophyllin).html

>  <CAS Number> (292)
508-02-1

$$$$
Oridonin.cdx
csChFnd80/10101813162D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.5553    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.7677    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9802    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7677    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3429    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5097    5.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1465    5.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    6.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    6.8823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9105    8.4019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.8719    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (293)
779

>  <Formula> (293)
C20H28O6

>  <MolWeight> (293)
364.43272

>  <Item Name> (293)
Oridonin (Isodonol)

>  <Catalog Number> (293)
S2335

>  <Synonyms> (293)
Isodonol

>  <Target> (293)
Others

>  <Form> (293)
Free Base

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

>  <CAS Number> (293)
28957-04-2

$$$$
OROTIC ACID.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (294)
780

>  <Formula> (294)
C5H4N2O4

>  <MolWeight> (294)
156.09626

>  <Item Name> (294)
Orotic acid (6-Carboxyuracil)

>  <Catalog Number> (294)
S2336

>  <Synonyms> (294)
6-Carboxyuracil, Orodin, Oropur, Orotonin, Orotonsan 

>  <Target> (294)
Others

>  <Form> (294)
Free Base

>  <URL> (294)
http://www.selleckchem.com/products/Orotic-acid(6-Carboxyuracil).html

>  <CAS Number> (294)
65-86-1

$$$$
Osthole.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (295)
781

>  <Formula> (295)
C15H16O3

>  <MolWeight> (295)
244.28574

>  <Item Name> (295)
Osthole (Osthol)

>  <Catalog Number> (295)
S2337

>  <Synonyms> (295)
Osthol, Ostole, Ostol

>  <Target> (295)
Others

>  <Form> (295)
Free Base

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

>  <CAS Number> (295)
484-12-8

$$$$
Parthenolide.cdx
csChFnd80/10101813162D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (296)
784

>  <Formula> (296)
C15H20O3

>  <MolWeight> (296)
248.3175

>  <Item Name> (296)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (296)
S2341

>  <Synonyms> (296)
N/A 

>  <Target> (296)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (296)
Free Base

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

>  <CAS Number> (296)
20554-84-1

$$$$
Phloretin.cdx
csChFnd80/10101813162D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (297)
785

>  <Formula> (297)
C15H14O5

>  <MolWeight> (297)
274.26866

>  <Item Name> (297)
Phloretin

>  <Catalog Number> (297)
S2342

>  <Synonyms> (297)
Dihydronaringenin

>  <Target> (297)
SGLT

>  <Form> (297)
Free Base

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

>  <CAS Number> (297)
60-82-2

$$$$
Dihydromyricetin.cdx
csChFnd80/10101813162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (298)
794

>  <Formula> (298)
C15H12O8

>  <MolWeight> (298)
320.25098

>  <Item Name> (298)
Dihydromyricetin (Ampeloptin)

>  <Catalog Number> (298)
S2399

>  <Synonyms> (298)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (298)
Others

>  <Form> (298)
Free Base

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

>  <CAS Number> (298)
27200-12-0

$$$$
Isoliquiritigenin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (299)
799

>  <Formula> (299)
C15H12O4

>  <MolWeight> (299)
256.25338

>  <Item Name> (299)
Isoliquiritigenin

>  <Catalog Number> (299)
S2404

>  <Synonyms> (299)
N/A

>  <Target> (299)
Others

>  <Form> (299)
Free Base

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

>  <CAS Number> (299)
961-29-5

$$$$
Chrysophanic acid.cdx
csChFnd80/10101813162D

 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> (300)
801

>  <Formula> (300)
C15H10O4

>  <MolWeight> (300)
254.2375

>  <Item Name> (300)
Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (300)
S2406

>  <Synonyms> (300)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (300)
EGFR, mTOR

>  <Form> (300)
Free Base

>  <URL> (300)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (300)
481-74-3

$$$$
Curcumol.cdx
csChFnd80/10101813162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (301)
802

>  <Formula> (301)
C15H24O2

>  <MolWeight> (301)
236.34986

>  <Item Name> (301)
Curcumol

>  <Catalog Number> (301)
S2407

>  <Synonyms> (301)
N/A

>  <Target> (301)
JAK

>  <Form> (301)
Free Base

>  <URL> (301)
http://www.selleckchem.com/products/Curcumol.html

>  <CAS Number> (301)
4871-97-0

$$$$
Astragaloside A.cdx
csChFnd80/10101813162D

 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
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    0.0000    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.9951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    9.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    9.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117   10.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4432    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2661    9.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4432   10.9278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4744    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    9.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3242    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3242    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5324    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   12.2546    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6612    9.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058   12.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2058   14.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8743   14.5199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0514   13.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6619   11.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4432   15.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3767   16.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0786   16.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  1  0  0  0
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  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
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 16 11  1  0  0  0  0
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 20 14  1  0  0  0  0
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 27 22  1  0  0  0  0
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 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
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 39 42  1  0  0  0  0
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 12 57  1  0  0  0  0
 12 58  1  0  0  0  0
M  END
>  <Mol_ID> (302)
807

>  <Formula> (302)
C41H68O14

>  <MolWeight> (302)
784.97022

>  <Item Name> (302)
Astragaloside A

>  <Catalog Number> (302)
S2415

>  <Synonyms> (302)
Cyclosiversioside F

>  <Target> (302)
Calcium Channel

>  <Form> (302)
Free Base

>  <URL> (302)
http://www.selleckchem.com/products/astragaloside-a.html

>  <CAS Number> (302)
83207-58-3

$$$$
S3942 Cardamonin.cdx
csChFnd80/10101813162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
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  6 12  1  0  0  0  0
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 18 20  1  0  0  0  0
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 13  9  2  3  0  0  0
M  CFW  20 B_NG_STER 3
M  END
>  <Mol_ID> (303)
812

>  <Formula> (303)
C16H14O4

>  <MolWeight> (303)
270.27996

>  <Item Name> (303)
Cardamonin

>  <Catalog Number> (303)
S3942

>  <Synonyms> (303)
Alpinetin chalcone

>  <Target> (303)
Calcium Channel

>  <Form> (303)
free base

>  <URL> (303)
http://selleckchem.com/products/cardamonin.html

>  <CAS Number> (303)
18956-16-6

$$$$
Estriol.cdx
csChFnd80/10101813162D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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50-27-1

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Imatinib.cdx
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http://www.selleckchem.com/products/Imatinib(STI571).html

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152459-95-5

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PCI-32765.cdx
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Src

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Free Base

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936563-96-1

$$$$
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$$$$
TG1012009.cdx
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 14 19  1  0  0  0  0
 11 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (311)
838

>  <Formula> (311)
C22H30Cl2N4O6

>  <MolWeight> (311)
517.4028

>  <Item Name> (311)
Mitoxantrone 2HCl

>  <Catalog Number> (311)
S2485

>  <Synonyms> (311)
NSC-301739

>  <Target> (311)
Topoisomerase

>  <Form> (311)
Dihydrochloride

>  <URL> (311)
http://www.selleckchem.com/products/Mitoxantrone.html

>  <CAS Number> (311)
70476-82-3

$$$$
Mycophenolic acid.cdx
csChFnd80/10101813162D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  5  1  0  0  0  0
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M  END
>  <Mol_ID> (312)
840

>  <Formula> (312)
C17H20O6

>  <MolWeight> (312)
320.3371

>  <Item Name> (312)
Mycophenolic acid

>  <Catalog Number> (312)
S2487

>  <Synonyms> (312)
Mycophenolate, RS-61443

>  <Target> (312)
Dehydrogenase

>  <Form> (312)
Free Base

>  <URL> (312)
http://www.selleckchem.com/products/Mycophenolic-acid(Mycophenolate).html

>  <CAS Number> (312)
24280-93-1

$$$$
GSK2126458.cdx
csChFnd80/10101813162D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
  4 35  1  0  0  0  0
  2 36  1  0  0  0  0
M  END
>  <Mol_ID> (313)
851

>  <Formula> (313)
C25H17F2N5O3S

>  <MolWeight> (313)
505.4959864

>  <Item Name> (313)
Omipalisib (GSK2126458, GSK458)

>  <Catalog Number> (313)
S2658

>  <Synonyms> (313)
N/A 

>  <Target> (313)
PI3K, mTOR

>  <Form> (313)
Free Base

>  <URL> (313)
http://www.selleckchem.com/products/gsk2126458.html

>  <CAS Number> (313)
1086062-66-9 

$$$$
fty720.cdx
csChFnd80/10101813162D

 23 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 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
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 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (314)
881

>  <Formula> (314)
C19H34ClNO2

>  <MolWeight> (314)
343.93176

>  <Item Name> (314)
Fingolimod (FTY720) HCl

>  <Catalog Number> (314)
S5002

>  <Synonyms> (314)
Gilenia 

>  <Target> (314)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (314)
Hydrochloride

>  <URL> (314)
http://www.selleckchem.com/products/FTY720.html

$$$$
Toremifene Citrate.cdx
csChFnd80/10101813162D

 42 43  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 41  1  0  0  0  0
 35 42  1  0  0  0  0
M  END
>  <Mol_ID> (315)
889

>  <Formula> (315)
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APC

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Free Base

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

>  <CAS Number> (319)
901-47-3

$$$$
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VEGFR, PDGFR, c-Kit

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http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

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332012-40-5

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csChFnd80/10101813162D

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S2542

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N/A

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AMPK

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http://www.selleckchem.com/products/Phenformin-hydrochloride.html

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834-28-6

$$$$
AZD5438.cdx
csChFnd80/10101813162D

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CDK

>  <Form> (322)
Free Base

>  <URL> (322)
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>  <CAS Number> (322)
602306-29-6 

$$$$
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Proteasome

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133407-82-6 

$$$$
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M  END
>  <Mol_ID> (324)
908

>  <Formula> (324)
C21H22N6O3

>  <MolWeight> (324)
406.43778

>  <Item Name> (324)
OSI-027

>  <Catalog Number> (324)
S2624

>  <Synonyms> (324)
N/A 

>  <Target> (324)
mTOR

>  <Form> (324)
Free Base

>  <URL> (324)
http://www.selleckchem.com/products/OSI027.html

>  <CAS Number> (324)
936890-98-1

$$$$
PP121.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (325)
909

>  <Formula> (325)
C17H17N7

>  <MolWeight> (325)
319.36378

>  <Item Name> (325)
PP-121

>  <Catalog Number> (325)
S2622

>  <Synonyms> (325)
N/A

>  <Target> (325)
DNA-PK, mTOR, PDGF

>  <Form> (325)
Free Base

>  <URL> (325)
http://www.selleckchem.com/products/PP121.html

>  <CAS Number> (325)
1092788-83-4

$$$$
WP1130.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (326)
912

>  <Formula> (326)
C19H18BrN3O

>  <MolWeight> (326)
384.26972

>  <Item Name> (326)
Degrasyn (WP1130)

>  <Catalog Number> (326)
S2243

>  <Synonyms> (326)
N/A

>  <Target> (326)
DUB, Bcr-Abl

>  <Form> (326)
Free Base

>  <URL> (326)
http://www.selleckchem.com/products/WP1130.html

>  <CAS Number> (326)
856243-80-6

$$$$
Cortisone acetate.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (327)
916

>  <Formula> (327)
C23H30O6

>  <MolWeight> (327)
402.4807

>  <Item Name> (327)
Cortisone acetate (Cortone)

>  <Catalog Number> (327)
S2559

>  <Synonyms> (327)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (327)
Glucocorticoid Receptor

>  <Form> (327)
Free Base

>  <URL> (327)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

>  <CAS Number> (327)
50-04-4

$$$$
BKM-120.cdx
csChFnd80/10101813162D

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PI3K

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944396-07-0

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csChFnd80/10101813162D

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N/A 

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PKC

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Free Base

>  <URL> (329)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

>  <CAS Number> (329)
1009820-21-6

$$$$
GW3965 hydrochloride.cdx
csChFnd80/10101813162D

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GW-3965

>  <Target> (330)
Liver X Receptor

>  <Form> (330)
hydrochloride

>  <URL> (330)
http://www.selleckchem.com/products/gw3965.html

>  <CAS Number> (330)
405911-17-3

$$$$
LY2157299.cdx
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700874-72-2

$$$$
TAK733.cdx
csChFnd80/10101813162D

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>  <Formula> (344)
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>  <MolWeight> (344)
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>  <Item Name> (344)
GSK690693

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S1113

>  <Synonyms> (344)
N/A

>  <Target> (344)
Akt

>  <Form> (344)
Free Base

>  <URL> (344)
http://www.selleckchem.com/products/GSK690693.html

>  <CAS Number> (344)
937174-76-0

$$$$
Curcumin.cdx
csChFnd80/10101813162D

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968

>  <Formula> (345)
C21H20O6

>  <MolWeight> (345)
368.3799

>  <Item Name> (345)
Curcumin

>  <Catalog Number> (345)
S1848

>  <Synonyms> (345)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (345)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (345)
Free Base

>  <URL> (345)
http://www.selleckchem.com/products/Curcumin.html

>  <CAS Number> (345)
458-37-7

$$$$
LY2603618.cdx
csChFnd80/10101813162D

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>  <Formula> (346)
C18H22BrN5O3

>  <MolWeight> (346)
436.30298

>  <Item Name> (346)
LY2603618 (IC-83)

>  <Catalog Number> (346)
S2626

>  <Synonyms> (346)
N/A 

>  <Target> (346)
Chk

>  <Form> (346)
Free Base

>  <URL> (346)
http://www.selleckchem.com/products/LY2603618-IC-83.html

>  <CAS Number> (346)
911222-45-2

$$$$
GSK1120212.cdx
csChFnd80/10101813162D

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GSK212 

>  <Target> (347)
MEK 

>  <Form> (347)
Free Base

>  <URL> (347)
http://www.selleckchem.com/products/gsk1120212-(jtp-74057).html

>  <CAS Number> (347)
871700-17-3

$$$$
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>  <CAS Number> (348)
1196109-52-0

$$$$
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PPAR

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Free Base

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

>  <CAS Number> (349)
52214-84-3

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c-Met

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Free Base

>  <URL> (350)
http://www.selleckchem.com/products/PHA-665752.html

>  <CAS Number> (350)
477575-56-7

$$$$
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HSP

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Free Base

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>  <CAS Number> (351)
30562-34-6

$$$$
A769662.cdx
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IGF-1, ALK

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PI3K, mTOR

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Free Base

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http://www.selleckchem.com/products/ch5132799.html

>  <CAS Number> (360)
1007207-67-1

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GDC 0980.cdx
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N/A 

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mTOR, PI3K

>  <Form> (361)
Free Base

>  <URL> (361)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

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1032754-93-0

$$$$
NU-7441(KU-57788).cdx
csChFnd80/10101813162D

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DNA-PK, PI3K

>  <Form> (362)
Free Base

>  <URL> (362)
http://www.selleckchem.com/products/nu7441.html

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503468-95-9 

$$$$
SCH 900776.cdx
csChFnd80/10101813162D

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CHK

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Free Base

>  <URL> (363)
http://www.selleckchem.com/products/sch-900776.html

>  <CAS Number> (363)
891494-63-6

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/10101813162D

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Flavopiridol (Alvocidib) HCl

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S2679

>  <Synonyms> (364)
N/A

>  <Target> (364)
CDK

>  <Form> (364)
Hydrochloride

>  <URL> (364)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

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131740-09-5

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PH-797804

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N/A

>  <Target> (365)
p38 MAPK

>  <Form> (365)
Free Base

>  <URL> (365)
http://www.selleckchem.com/products/ph-797804.html

>  <CAS Number> (365)
586379-66-0

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>  <Item Name> (366)
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>  <Synonyms> (366)
N/A

>  <Target> (366)
EGFR

>  <Form> (366)
Free Base

>  <URL> (366)
http://www.selleckchem.com/products/pf299804.html

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1110813-31-4

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mTOR 

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Free Base

>  <URL> (367)
http://www.selleckchem.com/products/ink128.html

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1224844-38-5

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CDK

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$$$$
MK-5108.cdx
csChFnd80/10101813162D

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1020

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MK-5108 (VX-689)

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S2770

>  <Synonyms> (369)
N/A 

>  <Target> (369)
Aurora Kinase

>  <Form> (369)
Free Base

>  <URL> (369)
http://www.selleckchem.com/products/mk-5108-vx-689.html

>  <CAS Number> (369)
1010085-13-8

$$$$
CP868569.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (370)
1021

>  <Formula> (370)
C26H29N5O2

>  <MolWeight> (370)
443.54076

>  <Item Name> (370)
Crenolanib (CP-868596)

>  <Catalog Number> (370)
S2730 

>  <Synonyms> (370)
N/A 

>  <Target> (370)
PDGFR

>  <Form> (370)
Free Base

>  <URL> (370)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

>  <CAS Number> (370)
670220-88-9

$$$$
PAC1.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (371)
1025

>  <Formula> (371)
C23H28N4O2

>  <MolWeight> (371)
392.49402

>  <Item Name> (371)
PAC-1

>  <Catalog Number> (371)
S2738

>  <Synonyms> (371)
Procaspase activating compound 1

>  <Target> (371)
Caspase

>  <Form> (371)
Free Base

>  <URL> (371)
http://www.selleckchem.com/products/pac-1.html

>  <CAS Number> (371)
315183-21-2

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (372)
1027

>  <Formula> (372)
C20H22ClN3O2

>  <MolWeight> (372)
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>  <Item Name> (372)
Tubastatin A hydrochloride

>  <Catalog Number> (372)
S2627 

>  <Synonyms> (372)
N/A

>  <Target> (372)
HDAC

>  <Form> (372)
Hydrochloride

>  <URL> (372)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

>  <CAS Number> (372)
1310693-92-5

$$$$
AG-1478.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (373)
1028

>  <Formula> (373)
C16H14ClN3O2

>  <MolWeight> (373)
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>  <Item Name> (373)
AG-1478 (Tyrphostin AG-1478)

>  <Catalog Number> (373)
S2728

>  <Synonyms> (373)
Tyrphostin AG-1478

>  <Target> (373)
EGFR

>  <Form> (373)
Free Base

>  <URL> (373)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

>  <CAS Number> (373)
153436-53-4

$$$$
PF-04691502.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (374)
1029

>  <Formula> (374)
C22H27N5O4

>  <MolWeight> (374)
425.48088

>  <Item Name> (374)
PF-04691502

>  <Catalog Number> (374)
S2743

>  <Synonyms> (374)
N/A

>  <Target> (374)
mTOR, PI3K, Akt

>  <Form> (374)
Free Base

>  <URL> (374)
http://www.selleckchem.com/products/pf-04691502.html

>  <CAS Number> (374)
1013101-36-4 

$$$$
Lonidamine.cdx
csChFnd80/10101813162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (375)
1076

>  <Formula> (375)
C15H10Cl2N2O2

>  <MolWeight> (375)
321.1581

>  <Item Name> (375)
Lonidamine

>  <Catalog Number> (375)
S2610

>  <Synonyms> (375)
N/A

>  <Target> (375)
Others

>  <Form> (375)
Free Base

>  <URL> (375)
http://www.selleckchem.com/products/lonidamine.html

>  <CAS Number> (375)
50264-69-2

$$$$
10-DAB.cdx
csChFnd80/10101813162D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (376)
1088

>  <Formula> (376)
C29H36O10

>  <MolWeight> (376)
544.59014

>  <Item Name> (376)
10-DAB (10-Deacetylbaccatin)

>  <Catalog Number> (376)
S2409

>  <Synonyms> (376)
N/A 

>  <Target> (376)
Others

>  <Form> (376)
Free Base

>  <URL> (376)
http://www.selleckchem.com/products/10-dab-10-deacetylbaccatin.html

>  <CAS Number> (376)
32981-86-5

$$$$
Geniposidic acid.cdx
csChFnd80/10101813162D

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Free Base

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>  <CAS Number> (378)
65-46-3

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Dehydrogenase

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Free Base

>  <URL> (379)
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103766-25-2

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HER2, EGFR

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937265-83-3

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CDK

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TGF-beta/Smad

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Free Base

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http://www.selleckchem.com/products/gw788388.html

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452342-67-5

$$$$
Lapatinib freebase.cdx
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EGFR, HER2

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Free Base

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

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231277-92-2

$$$$
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csChFnd80/10101813162D

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PI3K, mTOR

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Maleate

>  <URL> (388)
http://www.selleckchem.com/products/nvp-bgt226.html

>  <CAS Number> (388)
1245537-68-1

$$$$
YM201636.cdx
csChFnd80/10101813162D

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371942-69-7

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PI3K

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905854-02-6

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842133-18-0

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582315-72-8

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EGFR, HER2

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871026-44-7

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c-Met 

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http://www.selleckchem.com/products/incb28060.html

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1029712-80-8

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Tasocitinib 

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JAK

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Free Base

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http://www.selleckchem.com/products/tofacitinib-cp-690550.html

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477600-75-2

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857064-38-1

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>  <Formula> (411)
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>  <Synonyms> (411)
XRP-6258 

>  <Target> (411)
Microtubule Associated

>  <Form> (411)
Free Base

>  <URL> (411)
http://www.selleckchem.com/products/cabazitaxel-jevtana.html

>  <CAS Number> (411)
183133-96-2

$$$$
Piceatannol.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (412)
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>  <Formula> (412)
C14H12O4

>  <MolWeight> (412)
244.24268

>  <Item Name> (412)
Piceatannol

>  <Catalog Number> (412)
S3026 

>  <Synonyms> (412)
N/A 

>  <Target> (412)
Others

>  <Form> (412)
Free Base

>  <URL> (412)
http://www.selleckchem.com/products/piceatannol.html

>  <CAS Number> (412)
10083-24-6

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (413)
1192

>  <Formula> (413)
C25H22N6O2

>  <MolWeight> (413)
438.48118

>  <Item Name> (413)
Sotrastaurin (AEB071)

>  <Catalog Number> (413)
S2791 

>  <Synonyms> (413)
N/A 

>  <Target> (413)
PKC 

>  <Form> (413)
Free Base

>  <URL> (413)
http://www.selleckchem.com/products/sotrastaurin-aeb071.html

>  <CAS Number> (413)
425637-18-9

$$$$
Lonafarnib.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (414)
1194

>  <Formula> (414)
C27H31Br2ClN4O2

>  <MolWeight> (414)
638.82164

>  <Item Name> (414)
Lonafarnib (SCH66336)

>  <Catalog Number> (414)
S2797

>  <Synonyms> (414)
N/A 

>  <Target> (414)
Transferase

>  <Form> (414)
Free Base

>  <URL> (414)
http://www.selleckchem.com/products/lonafarnib-sch66336.html

>  <CAS Number> (414)
193275-84-2

$$$$
Sirtinol.cdx
csChFnd80/10101813162D

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1198

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C26H22N2O2

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Sirtinol

>  <Catalog Number> (415)
S2804 

>  <Synonyms> (415)
N/A 

>  <Target> (415)
Sirtuin 

>  <Form> (415)
Free Base

>  <URL> (415)
http://www.selleckchem.com/products/sirtinol.html

>  <CAS Number> (415)
410536-97-9

$$$$
VN124-1£¨TOK-001£©.cdx
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>  <Formula> (416)
C26H32N2O

>  <MolWeight> (416)
388.54508

>  <Item Name> (416)
Galeterone (TOK-001)

>  <Catalog Number> (416)
S2803

>  <Synonyms> (416)
VN124-1 

>  <Target> (416)
Androgen Receptor, P450

>  <Form> (416)
Free Base

>  <URL> (416)
http://www.selleckchem.com/products/galeterone-tok-001.html

>  <CAS Number> (416)
851983-85-2

$$$$
Aminoglutethimide .cdx
csChFnd80/10101813162D

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>  <Mol_ID> (417)
1202

>  <Formula> (417)
C13H16N2O2

>  <MolWeight> (417)
232.27834

>  <Item Name> (417)
Aminoglutethimide (Cytadren)

>  <Catalog Number> (417)
S1672

>  <Synonyms> (417)
N/A

>  <Target> (417)
Aromatase

>  <Form> (417)
Free Base

>  <URL> (417)
http://www.selleckchem.com/products/Aminoglutethimide(Cytadren).html

>  <CAS Number> (417)
125-84-8

$$$$
AZD4547.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (418)
1205

>  <Formula> (418)
C26H33N5O3

>  <MolWeight> (418)
463.57192

>  <Item Name> (418)
AZD4547

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S2801 

>  <Synonyms> (418)
N/A 

>  <Target> (418)
FGFR

>  <Form> (418)
Free Base

>  <URL> (418)
http://www.selleckchem.com/products/azd4547.html

>  <CAS Number> (418)
1035270-39-3

$$$$
GSK2118436.cdx
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1208

>  <Formula> (419)
C23H20F3N5O2S2

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>  <Item Name> (419)
Dabrafenib (GSK2118436)

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>  <Synonyms> (419)
N/A 

>  <Target> (419)
Raf

>  <Form> (419)
Free Base

>  <URL> (419)
http://www.selleckchem.com/products/dabrafenib-gsk2118436a.html

>  <CAS Number> (419)
1195765-45-7

$$$$
Torin 2.cdx
csChFnd80/10101813162D

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Daunorubicin HCl (Daunomycin HCl)

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Telomerase

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23541-50-6

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Others

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343787-29-1

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    1.4000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 19  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (428)
1226

>  <Formula> (428)
C13H10N2O4

>  <MolWeight> (428)
258.2295

>  <Item Name> (428)
Thalidomide

>  <Catalog Number> (428)
S1193

>  <Synonyms> (428)
Thalomid 

>  <Target> (428)
E3 Ligase ,TNF-alpha

>  <Form> (428)
Free Base

>  <URL> (428)
http://www.selleckchem.com/products/Thalidomide.html

>  <CAS Number> (428)
50-35-1

$$$$
Finasteride.cdx
csChFnd80/10101813162D

 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
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    8.6019    5.3326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0580    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6328    6.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    6.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    7.6963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7995    8.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4995   10.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  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> (429)
1227

>  <Formula> (429)
C23H36N2O2

>  <MolWeight> (429)
372.54414

>  <Item Name> (429)
Finasteride

>  <Catalog Number> (429)
S1197

>  <Synonyms> (429)
N/A 

>  <Target> (429)
5-alpha Reductase

>  <Form> (429)
Free Base

>  <URL> (429)
http://www.selleckchem.com/products/Finasteride.html

>  <CAS Number> (429)
98319-26-7

$$$$
Dacarbazine.cdx
csChFnd80/10101813162D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    1.7641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665    0.7742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0188    1.1365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3811    2.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087    0.1465    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
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  3  6  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (430)
1229

>  <Formula> (430)
C6H10N6O

>  <MolWeight> (430)
182.1832

>  <Item Name> (430)
Dacarbazine (DTIC-Dome)

>  <Catalog Number> (430)
S1221

>  <Synonyms> (430)
DTIC 

>  <Target> (430)
DNA/RNA Synthesis

>  <Form> (430)
Free Base

>  <URL> (430)
http://www.selleckchem.com/products/Dacarbazine.html

>  <CAS Number> (430)
4342-03-4

$$$$
Leucovorin Calcium.cdx
csChFnd80/10101813162D

 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
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    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
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   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
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   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
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   11.7184    2.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
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  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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 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 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
 25 24  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 29  2  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 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> (431)
1231

>  <Formula> (431)
C20H31CaN7O12

>  <MolWeight> (431)
601.57784

>  <Item Name> (431)
Leucovorin Calcium Pentahydrate

>  <Catalog Number> (431)
S1236

>  <Synonyms> (431)
Calcium, Calcium Folinatc, Citrovorum Factor 

>  <Target> (431)
Others

>  <Form> (431)
Hydrate

>  <URL> (431)
http://www.selleckchem.com/products/Leucovorin-Calcium.html

>  <CAS Number> (431)
6035-45-6

$$$$
PHA.cdx
csChFnd80/10101813162D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9121    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1488    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7794    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2488    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9488    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2488    5.6934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    5.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 11  7  2  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (432)
1239

>  <Formula> (432)
C12H11N3O

>  <MolWeight> (432)
213.23524

>  <Item Name> (432)
PHA-767491

>  <Catalog Number> (432)
S2742

>  <Synonyms> (432)
N/A 

>  <Target> (432)
CDK

>  <Form> (432)
Free Base

>  <URL> (432)
http://www.selleckchem.com/products/pha-767491.html

>  <CAS Number> (432)
845714-00-3

$$$$
Torin 1.cdx
csChFnd80/10101813162D

 45 51  0  0  0  0  0  0  0  0999 V2000
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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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N/A 

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Proteasome

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Free Base

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http://www.selleckchem.com/products/carfilzomib-pr-171.html

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868540-17-4

$$$$
BML-190.cdx
csChFnd80/10101813162D

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1289

>  <Formula> (438)
C23H23ClN2O4

>  <MolWeight> (438)
426.89272

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BML-190

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S2854

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Indomethacin Morpholinylamide 

>  <Target> (438)
Cannabinoid Receptor

>  <Form> (438)
Free Base

>  <URL> (438)
http://www.selleckchem.com/products/bml-190.html

>  <CAS Number> (438)
2854-32-2

$$$$
SAR131675.cdx
csChFnd80/10101813162D

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>  <Target> (439)
VEGFR

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Free Base

>  <URL> (439)
http://www.selleckchem.com/products/sar131675.html

>  <CAS Number> (439)
N/A

$$$$
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csChFnd80/10101813162D

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1296

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C24H23N5OS

>  <MolWeight> (440)
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>  <Synonyms> (440)
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>  <Target> (440)
AhR

>  <Form> (440)
Free Base

>  <URL> (440)
http://www.selleckchem.com/products/stemRegenin-1.html

>  <CAS Number> (440)
1227633-49-9

$$$$
Cyclocytidine hydrochloride.cdx
csChFnd80/10101813162D

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1299

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C9H12ClN3O4

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261.66228

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Cyclocytidine HCl

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S1973

>  <Synonyms> (441)
N/A 

>  <Target> (441)
DNA/RNA Synthesis

>  <Form> (441)
Hydrochloride

>  <URL> (441)
http://www.selleckchem.com/products/cyclocytidine-hcl.html

>  <CAS Number> (441)
10212-25-6

$$$$
IMD0354.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (442)
1300

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C15H8ClF6NO2

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383.6729392

>  <Item Name> (442)
IMD0354

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S2864

>  <Synonyms> (442)
N/A

>  <Target> (442)
IKK

>  <Form> (442)
Free Base

>  <URL> (442)
http://www.selleckchem.com/products/imd-0354.html

>  <CAS Number> (442)
978-62-1

$$$$
T0070907.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (443)
1302

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C12H8ClN3O3

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277.66322

>  <Item Name> (443)
T0070907

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S2871

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N/A

>  <Target> (443)
PPAR

>  <Form> (443)
Free Base

>  <URL> (443)
http://www.selleckchem.com/products/t0070907.html

>  <CAS Number> (443)
313516-66-4

$$$$
E7050.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (444)
1304

>  <Formula> (444)
C33H37F2N7O4

>  <MolWeight> (444)
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>  <Item Name> (444)
Golvatinib (E7050) 

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>  <Synonyms> (444)
E7050

>  <Target> (444)
c-Met, VEGFR

>  <Form> (444)
Free Base

>  <URL> (444)
http://www.selleckchem.com/products/golvatinib-e7050.html

>  <CAS Number> (444)
928037-13-2

$$$$
WHI-P154.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (445)
1306

>  <Formula> (445)
C16H14BrN3O3

>  <MolWeight> (445)
376.20466

>  <Item Name> (445)
WHI-P154

>  <Catalog Number> (445)
S2867

>  <Synonyms> (445)
N/A

>  <Target> (445)
JAK, EGFR

>  <Form> (445)
Free Base

>  <URL> (445)
http://www.selleckchem.com/products/whi-p154.html

>  <CAS Number> (445)
211555-04-3

$$$$
untitled.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (446)
1329

>  <Formula> (446)
C21H46NO4P

>  <MolWeight> (446)
407.568001

>  <Item Name> (446)
Miltefosine (Hexadecylphosphocholine)

>  <Catalog Number> (446)
S3056

>  <Synonyms> (446)
N/A

>  <Target> (446)
Akt

>  <Form> (446)
Free Base

>  <URL> (446)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

>  <CAS Number> (446)
58066-85-6

$$$$
Apocynin (acetovanillone).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (447)
1330

>  <Formula> (447)
C9H10O3

>  <MolWeight> (447)
166.1739

>  <Item Name> (447)
Apocynin (Acetovanillone)

>  <Catalog Number> (447)
S2425

>  <Synonyms> (447)
N/A

>  <Target> (447)
NADPH oxidase

>  <Form> (447)
Free Base

>  <URL> (447)
http://www.selleckchem.com/products/apocynin-acetovanillone.html

>  <CAS Number> (447)
498-02-2

$$$$
Gambogic acid.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (448)
1332

>  <Formula> (448)
C38H44O8

>  <MolWeight> (448)
628.75116

>  <Item Name> (448)
Gambogic Acid

>  <Catalog Number> (448)
S2448

>  <Synonyms> (448)
N/A

>  <Target> (448)
Bcl-2,Caspase

>  <Form> (448)
Free Base

>  <URL> (448)
http://www.selleckchem.com/products/gambogic-acid.html

>  <CAS Number> (448)
2752-65-0

$$$$
U-104.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (449)
1335

>  <Formula> (449)
C13H12FN3O3S

>  <MolWeight> (449)
309.3160832

>  <Item Name> (449)
U-104

>  <Catalog Number> (449)
S2866

>  <Synonyms> (449)
N/A

>  <Target> (449)
Carbonic Anhydrase

>  <Form> (449)
Free Base

>  <URL> (449)
http://www.selleckchem.com/products/u-104.html

>  <CAS Number> (449)
178606-66-1

$$$$
GW4064.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (450)
1339

>  <Formula> (450)
C28H22Cl3NO4

>  <MolWeight> (450)
542.83758

>  <Item Name> (450)
GW 4064

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S2782

>  <Synonyms> (450)
N/A

>  <Target> (450)
FXR

>  <Form> (450)
Free Base

>  <URL> (450)
http://www.selleckchem.com/products/gw-4064.html

>  <CAS Number> (450)
278779-30-9

$$$$
L-NAME HCl.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (451)
1343

>  <Formula> (451)
C7H16ClN5O4

>  <MolWeight> (451)
269.68604

>  <Item Name> (451)
L-NAME HCl

>  <Catalog Number> (451)
S2877

>  <Synonyms> (451)
N/A

>  <Target> (451)
NOS

>  <Form> (451)
Hydrochloride

>  <URL> (451)
http://www.selleckchem.com/products/l-name-hcl.html

>  <CAS Number> (451)
51298-62-5

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (452)
1348

>  <Formula> (452)
C18H21N5O2

>  <MolWeight> (452)
339.39164

>  <Item Name> (452)
Alogliptin

>  <Catalog Number> (452)
S5365

>  <CAS Number> (452)
850649-61-5

$$$$
Betulinic acid.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (453)
1352

>  <Formula> (453)
C30H48O3

>  <MolWeight> (453)
456.70032

>  <Item Name> (453)
Betulinic acid

>  <Catalog Number> (453)
S3603

>  <Target> (453)
N/A

>  <Form> (453)
Free Base

>  <URL> (453)
http://www.selleckchem.com/products/betulinic-acid.html

>  <CAS Number> (453)
472-15-1

$$$$
Triptolide.cdx
csChFnd80/10101813162D

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>  <Target> (459)
EGFR

>  <Form> (459)
Free Base

>  <URL> (459)
http://www.selleckchem.com/products/tyrphostin-9-sf-6847.html

>  <CAS Number> (459)
10537-47-0

$$$$
ZM323881 HCl.cdx
csChFnd80/10101813162D

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>  <Formula> (460)
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>  <MolWeight> (460)
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>  <Item Name> (460)
ZM 323881 HCl

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S2896

>  <Synonyms> (460)
N/A

>  <Target> (460)
VEGFR

>  <Form> (460)
Hydrochloride

>  <URL> (460)
http://www.selleckchem.com/products/zm-323881-hcl.html

>  <CAS Number> (460)
193000-39-4

$$$$
ZM306416.cdx
csChFnd80/10101813162D

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>  <MolWeight> (461)
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>  <Synonyms> (461)
N/A

>  <Target> (461)
VEGFR

>  <Form> (461)
Free Base

>  <URL> (461)
http://www.selleckchem.com/products/zm-306416.html

>  <CAS Number> (461)
690206-97-4

$$$$
S-Ruxolitinib.cdx
csChFnd80/10101813162D

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JAK

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Free Base

>  <URL> (462)
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>  <CAS Number> (462)
941685-37-6

$$$$
Mozavaptan.cdx
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>  <URL> (463)
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137975-06-5

$$$$
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Folotyn

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DHFR

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146464-95-1

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Retinoid Receptor

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Free Base

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153559-49-0

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1372540-25-4

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>  <URL> (472)
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M  END
>  <Mol_ID> (473)
1511

>  <Formula> (473)
C10H9NO2S

>  <MolWeight> (473)
207.24896

>  <Item Name> (473)
BAY 11-7082 (BAY 11-7821)

>  <Catalog Number> (473)
S2913

>  <Synonyms> (473)
N/A

>  <Target> (473)
I¦ÊB/IKK

>  <Form> (473)
Free Base

>  <URL> (473)
http://www.selleckchem.com/products/bay-11-7082-bay-11-7821.html

>  <CAS Number> (473)
19542-67-7

$$$$
Apoptosis Activator II.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (474)
1512

>  <Formula> (474)
C15H9Cl2NO2

>  <MolWeight> (474)
306.14346

>  <Item Name> (474)
Apoptosis Activator 2

>  <Catalog Number> (474)
S2927

>  <Synonyms> (474)
N/A

>  <Target> (474)
Caspase

>  <Form> (474)
Free Base

>  <URL> (474)
http://www.selleckchem.com/products/apoptosis-activator-2.html

>  <CAS Number> (474)
79183-19-0

$$$$
GNF-2.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (475)
1513

>  <Formula> (475)
C18H13F3N4O2

>  <MolWeight> (475)
374.3166296

>  <Item Name> (475)
GNF-2

>  <Catalog Number> (475)
S2899

>  <Synonyms> (475)
N/A

>  <Target> (475)
Bcr-Abl

>  <Form> (475)
Free Base

>  <URL> (475)
http://www.selleckchem.com/products/gnf-2.html

>  <CAS Number> (475)
778270-11-4

$$$$
PQ 401.cdx
csChFnd80/10101813162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (476)
1514

>  <Formula> (476)
C18H16ClN3O2

>  <MolWeight> (476)
341.79154

>  <Item Name> (476)
PQ 401

>  <Catalog Number> (476)
S8003

>  <Synonyms> (476)
N/A

>  <Target> (476)
IGF-1R

>  <Form> (476)
Free Base

>  <URL> (476)
http://www.selleckchem.com/products/pq-401.html

>  <CAS Number> (476)
196868-63-0

$$$$
Tenovin-1.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (477)
1515

>  <Formula> (477)
C20H23N3O2S

>  <MolWeight> (477)
369.48052

>  <Item Name> (477)
Tenovin-1

>  <Catalog Number> (477)
S8000

>  <Synonyms> (477)
N/A

>  <Target> (477)
p53

>  <Form> (477)
Free Base

>  <URL> (477)
http://www.selleckchem.com/products/tenovin-1.html

>  <CAS Number> (477)
380315-80-0

$$$$
Pifithrin-¦Á.cdx
csChFnd80/10101813162D

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IGF-1R

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VEGFR

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Malate

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http://www.selleckchem.com/products/cabozantinib-malate.html

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1140909-48-3

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1403764-72-6

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>  <Mol_ID> (499)
1586

>  <Formula> (499)
C45H50ClN7O7S

>  <MolWeight> (499)
868.4392

>  <Item Name> (499)
Venetoclax (ABT-199, GDC-0199)

>  <Catalog Number> (499)
S8048

>  <Synonyms> (499)
N/A

>  <Target> (499)
Bcl-2

>  <Form> (499)
Free Base

>  <URL> (499)
http://www.selleckchem.com/products/abt-199.html

>  <CAS Number> (499)
1257044-40-8

$$$$
Birinapant (TL32711).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (500)
1587

>  <Formula> (500)
C42H56F2N8O6

>  <MolWeight> (500)
806.9408464

>  <Item Name> (500)
Birinapant (TL32711)

>  <Catalog Number> (500)
S7015

>  <Synonyms> (500)
N/A

>  <Target> (500)
Caspase

>  <Form> (500)
Free Base

>  <URL> (500)
http://www.selleckchem.com/products/birinapant-tl32711.html

>  <CAS Number> (500)
1260251-31-7

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (501)
1589

>  <Formula> (501)
C26H21N3O3

>  <MolWeight> (501)
423.46324

>  <Item Name> (501)
IWR-1-endo

>  <Catalog Number> (501)
S7086

>  <Synonyms> (501)
IWR-1

>  <Target> (501)
Wnt/beta-catenin

>  <Form> (501)
Free Base

>  <URL> (501)
http://www.selleckchem.com/products/iwr-1-endo.html

>  <CAS Number> (501)
1127442-82-3

$$$$
EPZ-5676.cdx
csChFnd80/10101813162D

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M  CFW  24 BOND_GSTEREO 5
M  CFW  29 BOND_GSTEREO 5
M  END
>  <Mol_ID> (502)
1590

>  <Formula> (502)
C30H42N8O3

>  <MolWeight> (502)
562.70628

>  <Item Name> (502)
Pinometostat (EPZ5676)

>  <Catalog Number> (502)
S7062

>  <Synonyms> (502)
N/A

>  <Target> (502)
Histone Methyltransferase

>  <Form> (502)
Free Base

>  <URL> (502)
http://www.selleckchem.com/products/epz-5676.html

>  <CAS Number> (502)
1380288-87-8

$$$$
Oprozomib (ONX 0912).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (503)
1593

>  <Formula> (503)
C25H32N4O7S

>  <MolWeight> (503)
532.60918

>  <Item Name> (503)
Oprozomib (ONX 0912)

>  <Catalog Number> (503)
S7049

>  <Synonyms> (503)
N/A

>  <Target> (503)
Proteasome

>  <Form> (503)
Free Base

>  <URL> (503)
http://www.selleckchem.com/products/oprozomib-onx-0912.html

>  <CAS Number> (503)
935888-69-0

$$$$
VX661.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (504)
1594

>  <Formula> (504)
C26H27F3N2O6

>  <MolWeight> (504)
520.4975896

>  <Item Name> (504)
VX-661

>  <Catalog Number> (504)
S7059

>  <Synonyms> (504)
N/A

>  <Target> (504)
CFTR

>  <Form> (504)
Free Base

>  <URL> (504)
http://www.selleckchem.com/products/vx-661.html

>  <CAS Number> (504)
1152311-62-0

$$$$
Vitamin D3.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (505)
1599

>  <Formula> (505)
C27H44O

>  <MolWeight> (505)
384.63766

>  <Item Name> (505)
Vitamin D3 (Cholecalciferol)

>  <Catalog Number> (505)
S4063

>  <Synonyms> (505)
N/A

>  <Target> (505)
Vitamin

>  <Form> (505)
Free Base

>  <URL> (505)
http://www.selleckchem.com/products/vitamin-d3-cholecalciferol.html

>  <CAS Number> (505)
67-97-0

$$$$
(+)-JQ1.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (506)
1610

>  <Formula> (506)
C23H25ClN4O2S

>  <MolWeight> (506)
456.9882

>  <Item Name> (506)
(+)-JQ1

>  <Catalog Number> (506)
S7110

>  <Synonyms> (506)
N/A

>  <Target> (506)
BET

>  <Form> (506)
Free Base

>  <URL> (506)
http://www.selleckchem.com/products/jq1.html

>  <CAS Number> (506)
1268524-70-4

$$$$
Pirarubicin.cdx
csChFnd80/10101813162D

 47 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (507)
1635

>  <Formula> (507)
C32H37NO12

>  <MolWeight> (507)
627.63568

>  <Item Name> (507)
Pirarubicin

>  <Catalog Number> (507)
S1393

>  <Synonyms> (507)
N/A

>  <Target> (507)
Topoisomerase

>  <Form> (507)
Free Base

>  <URL> (507)
http://www.selleckchem.com/products/Pirarubicin.html

>  <CAS Number> (507)
72496-41-4

$$$$
Butein.cdx
csChFnd80/10101813162D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (508)
1651

>  <Formula> (508)
C15H12O5

>  <MolWeight> (508)
272.25278

>  <Item Name> (508)
Butein

>  <Catalog Number> (508)
S8036

>  <Synonyms> (508)
N/A

>  <Target> (508)
EGFR

>  <Form> (508)
Free Base

>  <URL> (508)
https://www.selleckchem.com/products/butein.html

>  <CAS Number> (508)
487-52-5

$$$$
sodium phenylbutyrate.cdx
csChFnd80/10101813162D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (509)
1659

>  <Formula> (509)
C10H11NaO2

>  <MolWeight> (509)
186.18291

>  <Item Name> (509)
Sodium Phenylbutyrate

>  <Catalog Number> (509)
S4125

>  <Synonyms> (509)
N/A

>  <Target> (509)
HDAC

>  <Form> (509)
Sodium Salt

>  <URL> (509)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

>  <CAS Number> (509)
1716-12-7

$$$$
GSK3787.cdx
csChFnd80/10101813162D

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PPAR

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188591-46-0

$$$$
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csChFnd80/10101813162D

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C18H16N2O2

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(-)-Blebbistatin

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>  <Synonyms> (511)
N/A

>  <Target> (511)
ATPase

>  <Form> (511)
Free Base

>  <URL> (511)
https://www.selleckchem.com/products/blebbistatin.html

>  <CAS Number> (511)
856925-71-8

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mTOR

>  <Form> (512)
Free Base

>  <URL> (512)
https://www.selleckchem.com/products/gdc-0349.html

>  <CAS Number> (512)
1207360-89-1

$$$$
AZD 2461.cdx
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PARP

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>  <URL> (513)
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1174043-16-3

$$$$
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IAP

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550-24-3

$$$$
KY02111.cdx
csChFnd80/10101813162D

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N/A

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Syk

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Hydrochloride

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https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

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1370261-97-4,1370261-96-3(free base)

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c-Myc

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Free Base

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https://www.selleckchem.com/products/10058-f4.html

>  <CAS Number> (521)
403811-55-2

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N/A

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MMP

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Free Base

>  <URL> (522)
https://www.selleckchem.com/products/gm6001.html

>  <CAS Number> (522)
142880-36-2

$$$$
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Histone Methyltransferase

>  <Form> (523)
Free Base

>  <URL> (523)
https://www.selleckchem.com/products/epz004777.html

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1338466-77-5

$$$$
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ALK

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M  END
>  <Mol_ID> (542)
1824

>  <Formula> (542)
C17H13N3O7

>  <MolWeight> (542)
371.30102

>  <Item Name> (542)
PYR-41

>  <Catalog Number> (542)
S7129

>  <Synonyms> (542)
N/A

>  <Target> (542)
E1 Activating

>  <Form> (542)
Free Base

>  <URL> (542)
http://www.selleckchem.com/products/pyr-41.html

>  <CAS Number> (542)
418805-02-4

$$$$
Bromosporine.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (543)
1833

>  <Formula> (543)
C17H20N6O4S

>  <MolWeight> (543)
404.4435

>  <Item Name> (543)
Bromosporine

>  <Catalog Number> (543)
S7233

>  <Synonyms> (543)
N/A

>  <Target> (543)
Epigenetic Reader Domain

>  <Form> (543)
Free Base

>  <URL> (543)
http://www.selleckchem.com/products/bromosporine.html

$$$$
mevastatin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (544)
1853

>  <Formula> (544)
C23H34O5

>  <MolWeight> (544)
390.51306

>  <Item Name> (544)
Mevastatin

>  <Catalog Number> (544)
S4223

>  <Synonyms> (544)
N/A

>  <Target> (544)
HMG-CoA Reductase

>  <Form> (544)
Free Base

>  <URL> (544)
http://www.selleckchem.com/products/mevastatin.html

>  <CAS Number> (544)
73573-88-3

$$$$
192441-08-0.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (545)
1868

>  <Formula> (545)
C10H8BrN5OS

>  <MolWeight> (545)
326.17242

>  <Item Name> (545)
Lomeguatrib

>  <Catalog Number> (545)
S8056

>  <Synonyms> (545)
PaTrin-2

>  <Target> (545)
DNA Methyltransferase

>  <Form> (545)
Free Base

>  <URL> (545)
http://www.selleckchem.com/products/lomeguatrib.html

>  <CAS Number> (545)
192441-08-0

$$$$
NSC319726.cdx
csChFnd80/10101813162D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (546)
1869

>  <Formula> (546)
C11H14N4S

>  <MolWeight> (546)
234.32066

>  <Item Name> (546)
NSC319726

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S7149

>  <Synonyms> (546)
N/A

>  <Target> (546)
p53

>  <Form> (546)
Free Base

>  <URL> (546)
http://www.selleckchem.com/products/nsc319726.html

>  <CAS Number> (546)
71555-25-4

$$$$
Mechlorethamine HCl.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (547)
1876

>  <Formula> (547)
C5H12Cl3N

>  <MolWeight> (547)
192.51448

>  <Item Name> (547)
Mechlorethamine HCl

>  <Catalog Number> (547)
S4252

>  <Synonyms> (547)
N/A

>  <Target> (547)
DNA/RNA Synthesis

>  <Form> (547)
Hydrochloride

>  <URL> (547)
http://www.selleckchem.com/products/mechlorethamine-hcl.html

>  <CAS Number> (547)
55-86-7

$$$$
EPZ005687.cdx
csChFnd80/10101813162D

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EPZ005687

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S7004

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N/A

>  <Target> (548)
Histone Methyltransferase

>  <Form> (548)
Free Base

>  <URL> (548)
http://www.selleckchem.com/products/epz005687.html

>  <CAS Number> (548)
1396772-26-1

$$$$
AZD3514.cdx
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S7040

>  <Synonyms> (549)
N/A

>  <Target> (549)
Androgen Receptor

>  <Form> (549)
Free Base

>  <URL> (549)
http://www.selleckchem.com/products/azd3514.html

>  <CAS Number> (549)
1240299-33-5

$$$$
SKI II (SphK-I2).cdx
csChFnd80/10101813162D

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>  <Mol_ID> (550)
1882

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C15H11ClN2OS

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S7176

>  <Synonyms> (550)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (550)
S1P Receptor

>  <Form> (550)
Free Base

>  <URL> (550)
http://www.selleckchem.com/products/ski-ii.html

>  <CAS Number> (550)
312636-16-1

$$$$
HA14-1.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (551)
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>  <Formula> (551)
C17H17BrN2O5

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>  <Item Name> (551)
HA14-1

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S1071

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HA141

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Bcl-2

>  <Form> (551)
Free Base

>  <URL> (551)
http://www.selleckchem.com/products/HA14-1.html

>  <CAS Number> (551)
65673-63-4

$$$$
Bazedoxifene acetate.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (552)
1889

>  <Formula> (552)
C32H38N2O5

>  <MolWeight> (552)
530.65452

>  <Item Name> (552)
Bazedoxifene Acetate

>  <Catalog Number> (552)
S2167

>  <Synonyms> (552)
N/A

>  <Target> (552)
Estrogen/progestogen Receptor

>  <Form> (552)
Acetate

>  <URL> (552)
http://www.selleckchem.com/products/Bazedoxifene-acetate.html

>  <CAS Number> (552)
198481-33-3

$$$$
Aloe-emodin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (553)
1890

>  <Formula> (553)
C15H10O5

>  <MolWeight> (553)
270.2369

>  <Item Name> (553)
Aloe-emodin

>  <Catalog Number> (553)
S2259

>  <Synonyms> (553)
N/A

>  <Target> (553)
Antifection

>  <Form> (553)
Free Base

>  <URL> (553)
http://www.selleckchem.com/products/Aloe-emodin.html

>  <CAS Number> (553)
481-72-1

$$$$
purmorphamine.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (554)
1894

>  <Formula> (554)
C31H32N6O2

>  <MolWeight> (554)
520.62478

>  <Item Name> (554)
Purmorphamine

>  <Catalog Number> (554)
S3042

>  <Synonyms> (554)
N/A

>  <Target> (554)
Hedgehog/Smoothened

>  <Form> (554)
Free Base

>  <URL> (554)
http://www.selleckchem.com/products/purmorphamine.html

>  <CAS Number> (554)
483367-10-8

$$$$
untitled.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (555)
1898

>  <Formula> (555)
C13H16N6O4

>  <MolWeight> (555)
320.30394

>  <Item Name> (555)
Triciribine

>  <Catalog Number> (555)
S1117

>  <Synonyms> (555)
N/A

>  <Target> (555)
Akt

>  <Form> (555)
Free Base

>  <URL> (555)
http://www.selleckchem.com/products/Triciribine.html

>  <CAS Number> (555)
35943-35-2

$$$$
AZD 1480.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (556)
1899

>  <Formula> (556)
C14H14ClFN8

>  <MolWeight> (556)
348.7659632

>  <Item Name> (556)
AZD1480

>  <Catalog Number> (556)
S2162

>  <Synonyms> (556)
N/A

>  <Target> (556)
JAK

>  <Form> (556)
Free Base

>  <URL> (556)
http://www.selleckchem.com/products/AZD1480.html

>  <CAS Number> (556)
935666-88-9, 1260222-79-4 (TFA)

$$$$
quinacrine dihydrochloride.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (557)
1901

>  <Formula> (557)
C23H32Cl3N3O

>  <MolWeight> (557)
472.87868

>  <Item Name> (557)
Quinacrine 2HCl

>  <Catalog Number> (557)
S4255

>  <Synonyms> (557)
N/A

>  <Target> (557)
Phospholipase (e.g. PLA)

>  <Form> (557)
Dihydrochloride

>  <URL> (557)
http://www.selleckchem.com/products/quinacrine-2hcl.html

>  <CAS Number> (557)
69-05-6

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (558)
1902

>  <Formula> (558)
C17H15BrF2N4O3

>  <MolWeight> (558)
441.2268064

>  <Item Name> (558)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Catalog Number> (558)
S7007

>  <Synonyms> (558)
N/A

>  <Target> (558)
MEK

>  <Form> (558)
Free Base

>  <URL> (558)
http://www.selleckchem.com/products/mek162.html

>  <CAS Number> (558)
606143-89-9

$$$$
brefeldin A.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (559)
1903

>  <Formula> (559)
C16H24O4

>  <MolWeight> (559)
280.35936

>  <Item Name> (559)
Brefeldin A 

>  <Catalog Number> (559)
S7046

>  <Synonyms> (559)
BFA

>  <Target> (559)
ATPase

>  <Form> (559)
Free Base

>  <URL> (559)
http://www.selleckchem.com/products/brefeldin-a.html

>  <CAS Number> (559)
20350-15-6

$$$$
GSK2334470.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (560)
1905

>  <Formula> (560)
C25H34N8O

>  <MolWeight> (560)
462.59046

>  <Item Name> (560)
GSK2334470

>  <Catalog Number> (560)
S7087

>  <Synonyms> (560)
N/A

>  <Target> (560)
PDK-1

>  <Form> (560)
Free Base

>  <URL> (560)
http://www.selleckchem.com/products/gsk2334470.html

>  <CAS Number> (560)
1227911-45-6

$$$$
SC144.cdx
csChFnd80/10101813162D

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P-gp

>  <Form> (561)
Free Base

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http://www.selleckchem.com/products/sc144.html

>  <CAS Number> (561)
895158-95-9

$$$$
TIC10.cdx
csChFnd80/10101813162D

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1907

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C24H26N4O

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TIC10 analogue

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S7127

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TRAIL-inducing Compound 10

>  <Target> (562)
Akt

>  <Form> (562)
Free Base

>  <URL> (562)
http://www.selleckchem.com/products/tic10.html

>  <CAS Number> (562)
41276-02-2

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/10101813162D

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1908

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C22H22ClN5O2

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I-BET-762

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GSK525762, GSK525762A

>  <Target> (563)
Epigenetic Reader Domain

>  <Form> (563)
Free Base

>  <URL> (563)
http://www.selleckchem.com/products/i-bet-762.html

>  <CAS Number> (563)
1260907-17-2

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/10101813162D

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1909

>  <Formula> (564)
C16H10BrN3O2

>  <MolWeight> (564)
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>  <Item Name> (564)
BIO

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S7198

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GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (564)
GSK-3

>  <Form> (564)
Free Base

>  <URL> (564)
http://www.selleckchem.com/products/bio.html

>  <CAS Number> (564)
667463-62-9

$$$$
Fosbretabulin disodium (Combretastatin A-4 phosphate disodium, CA4P disodium).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (565)
1910

>  <Formula> (565)
C18H19Na2O8P

>  <MolWeight> (565)
440.291961

>  <Item Name> (565)
Fosbretabulin (Combretastatin A4 Phosphate, 

>  <Catalog Number> (565)
S7204

>  <Synonyms> (565)
N/A

>  <Target> (565)
Microtubule Associated

>  <Form> (565)
Disodium salt

>  <URL> (565)
http://www.selleckchem.com/products/fosbretabulin-disodium-combretastatin-a-4-phosphate-dis

>  <CAS Number> (565)
168555-66-6

$$$$
Thiamet G.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (566)
1911

>  <Formula> (566)
C9H16N2O4S

>  <MolWeight> (566)
248.29934

>  <Item Name> (566)
Thiamet G 

>  <Catalog Number> (566)
S7213

>  <Synonyms> (566)
N/A

>  <Target> (566)
Others

>  <Form> (566)
Free Base

>  <URL> (566)
http://www.selleckchem.com/products/thiamet-g.html

>  <CAS Number> (566)
1009816-48-1

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/10101813162D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (567)
1913

>  <Formula> (567)
C17H13N5

>  <MolWeight> (567)
287.31862

>  <Item Name> (567)
RepSox

>  <Catalog Number> (567)
S7223

>  <Synonyms> (567)
E-616452, SJN 2511

>  <Target> (567)
TGF-beta/Smad

>  <Form> (567)
Free Base

>  <URL> (567)
http://www.selleckchem.com/products/repsox.html

>  <CAS Number> (567)
446859-33-2

$$$$
¦Â-Lapachone (ARQ-501).cdx
csChFnd80/10101813162D

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>  <Mol_ID> (568)
1917

>  <Formula> (568)
C15H14O3

>  <MolWeight> (568)
242.26986

>  <Item Name> (568)
Beta-Lapachone

>  <Catalog Number> (568)
S7261

>  <Synonyms> (568)
¦Â-Lapachone, ARQ-501

>  <Target> (568)
Topoisomerase

>  <Form> (568)
Free Base

>  <URL> (568)
http://www.selleckchem.com/products/beta-lapachone.html

>  <CAS Number> (568)
4707-32-8

$$$$
PluriSln 1(NSC 14613).cdx
csChFnd80/10101813162D

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>  <Mol_ID> (569)
1920

>  <Formula> (569)
C12H11N3O

>  <MolWeight> (569)
213.23524

>  <Item Name> (569)
PluriSIn #1 (NSC 14613)

>  <Catalog Number> (569)
S8076

>  <Synonyms> (569)
N/A

>  <Target> (569)
Dehydrogenase

>  <Form> (569)
Free Base

>  <URL> (569)
http://www.selleckchem.com/products/PluriSIn-1-nsc-14613.html

>  <CAS Number> (569)
91396-88-2

$$$$
SGC 0946.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (570)
1921

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C28H40BrN7O4

>  <MolWeight> (570)
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>  <Item Name> (570)
SGC 0946

>  <Catalog Number> (570)
S7079

>  <Synonyms> (570)
N/A

>  <Target> (570)
Histone Methyltransferase

>  <Form> (570)
Free Base

>  <URL> (570)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
Erastin.cdx
csChFnd80/10101813162D

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.0222    7.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3222    8.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9269    8.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326    7.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2128    4.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7998    4.8356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063    3.6344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3128    3.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038    1.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    3.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3976    2.4220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0976    1.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0975    3.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4975    1.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8019    7.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3973    7.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6949    6.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5019    8.4899    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 10  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 19 14  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
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 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 35 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
>  <Mol_ID> (571)
1922

>  <Formula> (571)
C30H31ClN4O4

>  <MolWeight> (571)
547.04454

>  <Item Name> (571)
Erastin

>  <Catalog Number> (571)
S7242

>  <Synonyms> (571)
N/A

>  <Target> (571)
Ferroptosis

>  <Form> (571)
Free Base

>  <URL> (571)
http://www.selleckchem.com/products/erastin.html

>  <CAS Number> (571)
571203-78-6

$$$$
RAD51 inhibitor RI-1.cdx
csChFnd80/10101813162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.1000    2.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7381    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3133    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    3.7381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229    2.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7544    4.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9903    6.2022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    1.2740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8870    5.2610    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   11.1522    0.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2986    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1660    2.7847    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
  1  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 13 14  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
M  END
>  <Mol_ID> (572)
1923

>  <Formula> (572)
C14H11Cl3N2O3

>  <MolWeight> (572)
361.60774

>  <Item Name> (572)
RI-1

>  <Catalog Number> (572)
S8077

>  <Synonyms> (572)
RAD51 inhibitor 1

>  <Target> (572)
Others

>  <Form> (572)
Free Base

>  <URL> (572)
http://www.selleckchem.com/products/ri-1.html

>  <CAS Number> (572)
415713-60-9

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/10101813162D

 38 41  0  0  0  0  0  0  0  0999 V2000
   10.3410    6.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9738    6.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4906    8.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8477    8.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2671    7.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8380    5.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7077    6.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1569    7.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3432    8.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8062   10.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8380    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4746    2.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4746    3.4844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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 10 11  1  0  0  0  0
  7 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
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 18 19  2  0  0  0  0
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 26 22  1  0  0  0  0
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 28 29  2  0  0  0  0
 17 28  1  0  0  0  0
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 31 32  2  0  0  0  0
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 34 35  1  0  0  0  0
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 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (573)
1924

>  <Formula> (573)
C26H27N5O5S2

>  <MolWeight> (573)
553.65308

>  <Item Name> (573)
Ro 31-8220 Mesylate

>  <Catalog Number> (573)
S7207

>  <Synonyms> (573)
Bisindolylmaleimide IX Mesylate

>  <Target> (573)
PKC

>  <Form> (573)
Mesylate

>  <URL> (573)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

>  <CAS Number> (573)
138489-18-6

$$$$
Bardoxolone Methyl.cdx
csChFnd80/10101813162D

 40 44  0  0  0  0  0  0  0  0999 V2000
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   10.9157    8.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1251    5.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9095    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5260    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8140    9.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0205    9.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (574)
1927

>  <Formula> (574)
C32H43NO4

>  <MolWeight> (574)
505.68812

>  <Item Name> (574)
Bardoxolone Methyl

>  <Catalog Number> (574)
S8078

>  <Synonyms> (574)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (574)
I¦ÊB/IKK

>  <Form> (574)
Free Base

>  <URL> (574)
http://www.selleckchem.com/products/bardoxolone-methyl.html

>  <CAS Number> (574)
218600-53-4

$$$$
SGI-1027.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (575)
1930

>  <Formula> (575)
C27H23N7O

>  <MolWeight> (575)
461.51782

>  <Item Name> (575)
SGI-1027

>  <Catalog Number> (575)
S7276

>  <Synonyms> (575)
DNA Methyltransferase Inhibitor II

>  <Target> (575)
DNA Methyltransferase

>  <Form> (575)
Free Base

>  <URL> (575)
http://www.selleckchem.com/products/sgi-1027.html

>  <CAS Number> (575)
1020149-73-8

$$$$
SRPIN340.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (576)
1931

>  <Formula> (576)
C18H18F3N3O

>  <MolWeight> (576)
349.3502296

>  <Item Name> (576)
SRPIN340

>  <Catalog Number> (576)
S7270

>  <Synonyms> (576)
N/A

>  <Target> (576)
Others

>  <Form> (576)
Free Base

>  <URL> (576)
http://www.selleckchem.com/products/srpin340.html

>  <CAS Number> (576)
218156-96-8

$$$$
ETP-46464.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (577)
1932

>  <Formula> (577)
C30H22N4O2

>  <MolWeight> (577)
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>  <Item Name> (577)
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>  <Catalog Number> (577)
S8050

>  <Synonyms> (577)
N/A

>  <Target> (577)
mTOR

>  <Form> (577)
Free Base

>  <URL> (577)
http://www.selleckchem.com/products/etp-46464.html

>  <CAS Number> (577)
1345675-02-6

$$$$
CO-1686(AVL-301).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (578)
1935

>  <Formula> (578)
C27H28F3N7O3

>  <MolWeight> (578)
555.5515296

>  <Item Name> (578)
Rociletinib (CO-1686, AVL-301)

>  <Catalog Number> (578)
S7284

>  <Synonyms> (578)
CNX-419, AVL-301

>  <Target> (578)
EGFR

>  <Form> (578)
Free Base

>  <URL> (578)
http://www.selleckchem.com/products/co-1686.html

>  <CAS Number> (578)
1374640-70-6

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (579)
1936

>  <Formula> (579)
C24H27Cl2N5O

>  <MolWeight> (579)
472.41008

>  <Item Name> (579)
Dorsomorphin (Compound C) 2HCl

>  <Catalog Number> (579)
S7306

>  <Synonyms> (579)
BML-275,Compound C

>  <Target> (579)
AMPK

>  <Form> (579)
Dihydrochloride

>  <URL> (579)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

>  <CAS Number> (579)
1219168-18-9

$$$$
EHop-016.cdx
csChFnd80/10101813162D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (580)
1937

>  <Formula> (580)
C25H30N6O

>  <MolWeight> (580)
430.5453

>  <Item Name> (580)
EHop-016

>  <Catalog Number> (580)
S7319

>  <Synonyms> (580)
N/A

>  <Target> (580)
Rac

>  <Form> (580)
Free Base

>  <URL> (580)
http://www.selleckchem.com/products/ehop-016.html

>  <CAS Number> (580)
1380432-32-5

$$$$
Mitotane.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (581)
2056

>  <Formula> (581)
C14H10Cl4

>  <MolWeight> (581)
320.0412

>  <Item Name> (581)
Mitotane

>  <Catalog Number> (581)
S1732

>  <Synonyms> (581)
Lysodren, Mitotan

>  <Target> (581)
Others

>  <Form> (581)
Free Base

>  <URL> (581)
http://www.selleckchem.com/products/Mitotane(Lysodren).html

>  <CAS Number> (581)
53-19-0

$$$$
Efaproxiral sodium.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (582)
2072

>  <Formula> (582)
C20H22NNaO4

>  <MolWeight> (582)
363.38275

>  <Item Name> (582)
Efaproxiral sodium

>  <Catalog Number> (582)
S4263 

>  <Synonyms> (582)
N/A

>  <Target> (582)
Others

>  <Form> (582)
Sodium salt

>  <URL> (582)
http://www.selleckchem.com/products/efaproxiral-sodium.html

>  <CAS Number> (582)
170787-99-2

$$$$
Tamibarotene.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (583)
2077

>  <Formula> (583)
C22H25NO3

>  <MolWeight> (583)
351.4388

>  <Item Name> (583)
Tamibarotene

>  <Catalog Number> (583)
S4260 

>  <Synonyms> (583)
N/A

>  <Target> (583)
Retinoid Receptor

>  <Form> (583)
Free Base

>  <URL> (583)
http://www.selleckchem.com/products/tamibarotene.html

>  <CAS Number> (583)
94497-51-5

$$$$
bms-345541.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (584)
2079

>  <Formula> (584)
C14H17N5

>  <MolWeight> (584)
255.31828

>  <Item Name> (584)
bms-345541

>  <Catalog Number> (584)
S8044

>  <Synonyms> (584)
N/A

>  <Target> (584)
I¦ÊB/IKK

>  <Form> (584)
Free Base

>  <URL> (584)
http://www.selleckchem.com/products/bms-345541.html

>  <CAS Number> (584)
445430-58-0

$$$$
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csChFnd80/10101813162D

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>  <Mol_ID> (585)
2080

>  <Formula> (585)
C30H27N5O

>  <MolWeight> (585)
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>  <Item Name> (585)
BMS-833923 (XL139)

>  <Catalog Number> (585)
S7138

>  <Synonyms> (585)
XL139

>  <Target> (585)
Hedgehog/Smoothened

>  <Form> (585)
Free Base

>  <URL> (585)
http://www.selleckchem.com/products/bms-833923.html

>  <CAS Number> (585)
1059734-66-5

$$$$
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TGF-beta/Smad

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Hydrochloride

>  <URL> (620)
http://www.selleckchem.com/products/ldn-193189-HCl.html

>  <CAS Number> (620)
1062368-62-0

$$$$
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VEGFR

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Free Base

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http://www.selleckchem.com/products/sklb1002.html

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1225451-84-2

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Free Base

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328998-25-0

$$$$
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Vinorelbine Tartrate

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S4269

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N/A

>  <Target> (631)
Microtubule Associated

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Tartrate

>  <URL> (631)
http://www.selleckchem.com/products/vinorelbine-tartrate.html

>  <CAS Number> (631)
125317-39-7

$$$$
Dimethyloxalylglycine (DMOG).cdx
csChFnd80/10101813162D

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DMOG

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Dimethyloxalylglycine

>  <Target> (632)
Hydroxylase

>  <Form> (632)
Free Base

>  <URL> (632)
http://www.selleckchem.com/products/dmog.html

>  <CAS Number> (632)
89464-63-1

$$$$
PU-H71.cdx
csChFnd80/10101813162D

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HSP 

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Free Base

>  <URL> (633)
http://www.selleckchem.com/products/pu-h71.html

>  <CAS Number> (633)
873436-91-0

$$$$
C646.cdx
csChFnd80/10101813162D

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>  <Target> (634)
Histone Acetyltransferase

>  <Form> (634)
Free Base

>  <URL> (634)
http://www.selleckchem.com/products/c646.html

>  <CAS Number> (634)
328968-36-1

$$$$
UNC1215.cdx
csChFnd80/10101813162D

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2068-78-2

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1415562-82-1

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1204144-28-4

$$$$
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313553-47-8

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http://www.selleckchem.com/products/ptc-209-hbr.html

>  <CAS Number> (651)
1217022-63-3

$$$$
CX-6258 HCl .cdx
csChFnd80/10101813162D

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>  <Item Name> (652)
CX-6258 HCl

>  <Catalog Number> (652)
S7041

>  <Synonyms> (652)
N/A

>  <Target> (652)
Pim

>  <Form> (652)
Hydrochloride

>  <URL> (652)
http://www.selleckchem.com/products/CX-6258.html

>  <CAS Number> (652)
1353859-00-3

$$$$
EMD 1214063.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (653)
2228

>  <Formula> (653)
C29H28N6O2

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>  <Item Name> (653)
Tepotinib (EMD 1214063)

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S7067

>  <Synonyms> (653)
N/A

>  <Target> (653)
c-Met

>  <Form> (653)
Free Base

>  <URL> (653)
http://www.selleckchem.com/products/emd-1214063.html

>  <CAS Number> (653)
1100598-32-0

$$$$
LDC000067.cdx
csChFnd80/10101813162D

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>  <Target> (654)
CDK

>  <Form> (654)
Free Base

>  <URL> (654)
http://www.selleckchem.com/products/ldc000067.html

>  <CAS Number> (654)
1073485-20-7

$$$$
XMD8-92.cdx
csChFnd80/10101813162D

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ERK

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Free Base

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http://www.selleckchem.com/products/xmd8-92.html

>  <CAS Number> (655)
1234480-50-2

$$$$
IWP-2.cdx
csChFnd80/10101813162D

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2234

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C22H18N4O2S3

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IWP-2

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S7085

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N/A

>  <Target> (656)
Wnt/beta-catenin

>  <Form> (656)
Free Base

>  <URL> (656)
http://www.selleckchem.com/products/iwp-2.html

>  <CAS Number> (656)
686770-61-6

$$$$
INH6.cdx
csChFnd80/10101813162D

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2235

>  <Formula> (657)
C19H18N2OS

>  <MolWeight> (657)
322.42402

>  <Item Name> (657)
INH6

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S7494

>  <Synonyms> (657)
N/A

>  <Target> (657)
Microtubule Associated

>  <Form> (657)
Free Base

>  <URL> (657)
http://www.selleckchem.com/products/inh6.html

>  <CAS Number> (657)
1001753-24-7

$$$$
PI-1840.cdx
csChFnd80/10101813162D

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2237

>  <Formula> (658)
C22H26N4O3

>  <MolWeight> (658)
394.46684

>  <Item Name> (658)
PI-1840

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S7462

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N/A

>  <Target> (658)
Proteasome

>  <Form> (658)
Free Base

>  <URL> (658)
http://www.selleckchem.com/products/pi-1840.html

>  <CAS Number> (658)
1401223-22-0

$$$$
MALT1 inhibitor.cdx
csChFnd80/10101813162D

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2242

>  <Formula> (659)
C19H17Cl3N4O3

>  <MolWeight> (659)
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>  <Item Name> (659)
MI-2 (MALT1 inhibitor)

>  <Catalog Number> (659)
S7429

>  <Synonyms> (659)
N/A

>  <Target> (659)
MALT

>  <Form> (659)
Free Base

>  <URL> (659)
http://www.selleckchem.com/products/mi-2-malt1-inhibitor.html

>  <CAS Number> (659)
1047953-91-2

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/10101813162D

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Chloroambucil

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S4288

>  <Synonyms> (673)
Chlorambucil

>  <Target> (673)
DNA/RNA Synthesis

>  <Form> (673)
Free Base

>  <URL> (673)
http://www.selleckchem.com/products/chloroambucil.html

>  <CAS Number> (673)
305-03-3

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/10101813162D

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C16H21ClIN3O4S

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>  <Item Name> (674)
K-Ras(G12C) inhibitor 9

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S7332

>  <Synonyms> (674)
N/A

>  <Target> (674)
Rho

>  <Form> (674)
Free Base

>  <URL> (674)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

>  <CAS Number> (674)
1469337-91-4

$$$$
SH-4-54.cdx
csChFnd80/10101813162D

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C29H27F5N2O5S

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SH-4-54

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>  <Synonyms> (675)
N/A

>  <Target> (675)
STAT

>  <Form> (675)
Free Base

>  <URL> (675)
http://www.selleckchem.com/products/sh-4-54.html

>  <CAS Number> (675)
1456632-40-8

$$$$
GDC0994.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (676)
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C21H18ClFN6O2

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GDC-0994

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>  <Target> (676)
ERK

>  <Form> (676)
Free Base

>  <URL> (676)
http://www.selleckchem.com/products/gdc-0994.html

>  <CAS Number> (676)
1453848-26-4

$$$$
WH-4-023.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (677)
2285

>  <Formula> (677)
C32H36N6O4

>  <MolWeight> (677)
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>  <Item Name> (677)
WH-4-023

>  <Catalog Number> (677)
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>  <Synonyms> (677)
KIN001-112

>  <Target> (677)
Src

>  <Form> (677)
Free Base

>  <URL> (677)
http://www.selleckchem.com/products/wh-4-023.html

>  <CAS Number> (677)
837422-57-8

$$$$
Phosphoramidon disodium salt.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (678)
2288

>  <Formula> (678)
C23H34N3Na2O10P

>  <MolWeight> (678)
589.483461

>  <Item Name> (678)
Phosphoramidon Disodium Salt

>  <Catalog Number> (678)
S7382

>  <Synonyms> (678)
N/A

>  <Target> (678)
Others

>  <Form> (678)
Disodium Salt

>  <URL> (678)
http://www.selleckchem.com/products/phosphoramidon-disodium-salt.html

>  <CAS Number> (678)
164204-38-0

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/10101813162D

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>  <Mol_ID> (679)
2291

>  <Formula> (679)
C19H17NO3

>  <MolWeight> (679)
307.34318

>  <Item Name> (679)
SF1670 (PTEN inhibitor)

>  <Catalog Number> (679)
S7310

>  <Synonyms> (679)
N/A

>  <Target> (679)
PTEN

>  <Form> (679)
Free Base

>  <URL> (679)
http://www.selleckchem.com/products/sf1670.html

>  <CAS Number> (679)
345630-40-2

$$$$
IM-12.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (680)
2292

>  <Formula> (680)
C22H20FN3O2

>  <MolWeight> (680)
377.4115032

>  <Item Name> (680)
IM-12

>  <Catalog Number> (680)
S7566

>  <Synonyms> (680)
N/A

>  <Target> (680)
GSK-3

>  <Form> (680)
Free Base

>  <URL> (680)
http://www.selleckchem.com/products/im-12.html

>  <CAS Number> (680)
1129669-05-1

$$$$
deltarasin.cdx
csChFnd80/10101813162D

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    8.7795    5.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0818    6.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6818    6.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6769    4.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9704    3.1873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4028    1.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4388    0.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2809    4.4057    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9894    5.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8770    4.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1925    5.6277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3793    5.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0813    6.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3825    8.0404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9833    8.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2813    6.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5794    5.6361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0221   10.0309    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
  7  8  2  0  0  0  0
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 17 18  2  0  0  0  0
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 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
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 25 14  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
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 29 30  1  0  0  0  0
 30 23  1  0  0  0  0
 17 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 31  2  0  0  0  0
 32 36  1  0  0  0  0
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 40 41  1  0  0  0  0
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 42 37  1  0  0  0  0
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 43 44  2  0  0  0  0
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 45 46  2  0  0  0  0
 46 34  1  0  0  0  0
M  END
>  <Mol_ID> (681)
2295

>  <Formula> (681)
C40H37N5O

>  <MolWeight> (681)
603.75468

>  <Item Name> (681)
Deltarasin

>  <Catalog Number> (681)
S7224

>  <Synonyms> (681)
N/A

>  <Target> (681)
PDE

>  <Form> (681)
Free Base

>  <URL> (681)
http://www.selleckchem.com/products/deltarasin.html

>  <CAS Number> (681)
1440898-61-2

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/10101813162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 11 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16  8  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
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 25 20  1  0  0  0  0
 18 26  2  0  0  0  0
 22 27  1  0  0  0  0
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M  END
>  <Mol_ID> (682)
2300

>  <Formula> (682)
C20H18FN5O2

>  <MolWeight> (682)
379.3876232

>  <Item Name> (682)
HSP990 (NVP-HSP990)

>  <Catalog Number> (682)
S7097

>  <Synonyms> (682)
N/A

>  <Target> (682)
HSP (e.g. HSP90)

>  <Form> (682)
Free Base

>  <URL> (682)
http://www.selleckchem.com/products/hsp990-nvp-hsp990.html

>  <CAS Number> (682)
934343-74-5

$$$$
R-Ruxolitinib.cdx
csChFnd80/10101813162D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4 10  1  0  0  0  0
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  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 15 13  1  0  0  0  0
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 22 23  3  0  0  0  0
M  END
>  <Mol_ID> (683)
2317

>  <Formula> (683)
C17H18N6

>  <MolWeight> (683)
306.36502

>  <Item Name> (683)
Ruxolitinib (INCB018424)

>  <Catalog Number> (683)
S1378

>  <Synonyms> (683)
N/A

>  <Target> (683)
JAK

>  <Form> (683)
Free Base

>  <URL> (683)
http://www.selleckchem.com/products/INCB18424.html

>  <CAS Number> (683)
941678-49-5

$$$$
Temsirolimus.cdx
csChFnd80/10101813162D

 73 76  0  0  0  0  0  0  0  0999 V2000
   10.5798   10.2237    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.4146    2.4151    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (688)
2323

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C28H24Cl2FN5O2

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>  <Item Name> (688)
ARQ 621

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S7355

>  <Synonyms> (688)
N/A

>  <Target> (688)
Kinesin

>  <Form> (688)
Free Base

>  <URL> (688)
http://www.selleckchem.com/products/arq-621.html

>  <CAS Number> (688)
1095253-39-6

$$$$
Sabutoclax(BI-97C1).cdx
csChFnd80/10101813162D

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>  <Mol_ID> (689)
2324

>  <Formula> (689)
C42H40N2O8

>  <MolWeight> (689)
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>  <Item Name> (689)
Sabutoclax

>  <Catalog Number> (689)
S8061

>  <Synonyms> (689)
BI-97C1

>  <Target> (689)
Bcl-2

>  <Form> (689)
Free Base

>  <URL> (689)
http://www.selleckchem.com/products/sabutoclax.html

>  <CAS Number> (689)
1228108-65-3

$$$$
ESI-09.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (690)
2326

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C16H15ClN4O2

>  <MolWeight> (690)
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>  <Item Name> (690)
ESI-09

>  <Catalog Number> (690)
S7499

>  <Synonyms> (690)
N/A

>  <Target> (690)
cAMP

>  <Form> (690)
Free Base

>  <URL> (690)
http://www.selleckchem.com/products/esi-09.html

>  <CAS Number> (690)
263707-16-0

$$$$
INCB024360.cdx
csChFnd80/10101813162D

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>  <MolWeight> (691)
271.6355832

>  <Item Name> (691)
INCB024360 analogue

>  <Catalog Number> (691)
S7587

>  <Synonyms> (691)
N/A

>  <Target> (691)
IDO

>  <Form> (691)
Free Base

>  <URL> (691)
http://www.selleckchem.com/products/incb024360.html

>  <CAS Number> (691)
914471-09-3

$$$$
filgotinib.cdx
csChFnd80/10101813162D

 30 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
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  5  1  0  0  0  0
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 28 23  1  0  0  0  0
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 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (692)
2329

>  <Formula> (692)
C21H23N5O3S

>  <MolWeight> (692)
425.50402

>  <Item Name> (692)
Filgotinib£¨GLPG0643)

>  <Catalog Number> (692)
S7605

>  <Synonyms> (692)
N/A

>  <Target> (692)
JAK

>  <Form> (692)
Free Base

>  <URL> (692)
http://www.selleckchem.com/products/filgotinib.html

>  <CAS Number> (692)
1206161-97-8

$$$$
LCL161.cdx
csChFnd80/10101813162D

 35 38  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.3360    6.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1897    8.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2301    9.0374    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
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 19 20  1  0  0  0  0
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 31 32  1  0  0  0  0
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 30 34  2  0  0  0  0
 31 35  1  1  0  0  0
M  END
>  <Mol_ID> (693)
2336

>  <Formula> (693)
C26H33FN4O3S

>  <MolWeight> (693)
500.6286232

>  <Item Name> (693)
LCL161

>  <Catalog Number> (693)
S7009

>  <Synonyms> (693)
N/A

>  <Target> (693)
IAP

>  <Form> (693)
Free Base

>  <URL> (693)
http://www.selleckchem.com/products/lcl161.html

>  <CAS Number> (693)
1005342-46-0

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/10101813162D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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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> (694)
2337

>  <Formula> (694)
C15H17ClIN3O3

>  <MolWeight> (694)
449.67125

>  <Item Name> (694)
K-Ras(G12C) inhibitor 12

>  <Catalog Number> (694)
S7331

>  <Synonyms> (694)
N/A

>  <Target> (694)
Rho

>  <Form> (694)
Free Base

>  <URL> (694)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

>  <CAS Number> (694)
1469337-95-8

$$$$
Tasquinimod .cdx
csChFnd80/10101813162D

 29 31  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> (695)
2338

>  <Formula> (695)
C20H17F3N2O4

>  <MolWeight> (695)
406.3551896

>  <Item Name> (695)
Tasquinimod

>  <Catalog Number> (695)
S7617

>  <Synonyms> (695)
ABR-215050

>  <Target> (695)
HDAC

>  <Form> (695)
Free Base

>  <URL> (695)
http://www.selleckchem.com/products/tasquinimod.html

>  <CAS Number> (695)
254964-60-8

$$$$
GNF5837.cdx
csChFnd80/10101813162D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (700)
2355

>  <Formula> (700)
C25H22N2O2

>  <MolWeight> (700)
382.45438

>  <Item Name> (700)
GSK650394

>  <Catalog Number> (700)
S7209

>  <Synonyms> (700)
N/A

>  <Target> (700)
Others

>  <Form> (700)
Free Base

>  <URL> (700)
http://www.selleckchem.com/products/gsk650394.html

>  <CAS Number> (700)
890842-28-1

$$$$
G-749.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (701)
2356

>  <Formula> (701)
C25H25BrN6O2

>  <MolWeight> (701)
521.409

>  <Item Name> (701)
G-749

>  <Catalog Number> (701)
S7545

>  <Synonyms> (701)
N/A

>  <Target> (701)
FLT3

>  <Form> (701)
Free Base

>  <URL> (701)
http://www.selleckchem.com/products/g-749.html

>  <CAS Number> (701)
1457983-28-6

$$$$
EW-7197.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (702)
2357

>  <Formula> (702)
C22H18FN7

>  <MolWeight> (702)
399.4236232

>  <Item Name> (702)
EW-7197

>  <Catalog Number> (702)
S7530

>  <Synonyms> (702)
N/A

>  <Target> (702)
TGF-beta/Smad

>  <Form> (702)
Free Base

>  <URL> (702)
http://www.selleckchem.com/products/ew-7197.html

>  <CAS Number> (702)
1352608-82-2

$$$$
Nedaplatin.cdx
csChFnd80/10101813162D
CFW_RXN
  8  6  0  0  0  0  0  0  0  0999 V2000
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A    7
;H3N
A    8
;H3N
M  END
>  <Mol_ID> (703)
2360

>  <Formula> (703)
R + C2H2O3Pt  -> R  [+ C2H2O3Pt]

>  <MolWeight> (703)
269.11348

>  <Item Name> (703)
Nedaplatin

>  <Catalog Number> (703)
S1826

>  <Synonyms> (703)
N/A

>  <Target> (703)
DNA/RNA Synthesis

>  <Form> (703)
Free Base

>  <URL> (703)
http://www.selleckchem.com/products/nedaplatin-aqupla.html

>  <CAS Number> (703)
95734-82-0

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (704)
2361

>  <Formula> (704)
C25H31N7O6

>  <MolWeight> (704)
525.55694

>  <Item Name> (704)
ENMD-2076 L-(+)-Tartaric acid

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JNK inhibitor IX

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S7508

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TCS JNK 5a

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JNK

>  <Form> (709)
Free Base

>  <URL> (709)
http://www.selleckchem.com/products/jnk-inhibitor-ix.html

>  <CAS Number> (709)
312917-14-9

$$$$
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>  <Mol_ID> (710)
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>  <Synonyms> (710)
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>  <Target> (710)
Mdm2

>  <Form> (710)
Free Base

>  <URL> (710)
http://www.selleckchem.com/products/nutlin-3b.html

>  <CAS Number> (710)
675576-97-3

$$$$
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>  <Mol_ID> (711)
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N/A

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Free Base

>  <URL> (711)
http://www.selleckchem.com/products/cid755673.html

>  <CAS Number> (711)
521937-07-5

$$$$
PF-06463922.cdx
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ALK

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>  <URL> (712)
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>  <CAS Number> (712)
1454846-35-5

$$$$
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2399

>  <Formula> (717)
C22H21N3O3S

>  <MolWeight> (717)
407.48544

>  <Item Name> (717)
ML141

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S7686

>  <Synonyms> (717)
CID-2950007

>  <Target> (717)
Rho

>  <Form> (717)
Free Base

>  <URL> (717)
http://www.selleckchem.com/products/ml141.html

>  <CAS Number> (717)
71203-35-5

$$$$
BRD4770.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (718)
2400

>  <Formula> (718)
C25H23N3O3

>  <MolWeight> (718)
413.46842

>  <Item Name> (718)
BRD4770

>  <Catalog Number> (718)
S7591

>  <Synonyms> (718)
N/A

>  <Target> (718)
Histone Methyltransferase

>  <Form> (718)
Free Base

>  <URL> (718)
http://www.selleckchem.com/products/brd4770.html

>  <CAS Number> (718)
1374601-40-7

$$$$
PX-478 2HCl.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (719)
2401

>  <Formula> (719)
C13H20Cl4N2O3

>  <MolWeight> (719)
394.1215

>  <Item Name> (719)
PX-478 2HCl

>  <Catalog Number> (719)
S7612

>  <Synonyms> (719)
N/A

>  <Target> (719)
HIF

>  <Form> (719)
Dihydrochlorid

>  <URL> (719)
http://www.selleckchem.com/products/px-478-2hcl.html

>  <CAS Number> (719)
685898-44-6

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/10101813162D

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>  <Mol_ID> (720)
2402

>  <Formula> (720)
C22H22O8

>  <MolWeight> (720)
414.40528

>  <Item Name> (720)
Picropodophyllin (PPP)

>  <Catalog Number> (720)
S7668

>  <Synonyms> (720)
AXL1717

>  <Target> (720)
IGF-1R

>  <Form> (720)
Free Base

>  <URL> (720)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

>  <CAS Number> (720)
477-47-4

$$$$
YK-4-279.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (721)
2403

>  <Formula> (721)
C17H13Cl2NO4

>  <MolWeight> (721)
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>  <Item Name> (721)
YK-4-279

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S7679

>  <Synonyms> (721)
N/A

>  <Target> (721)
DNA/RNA Synthesis

>  <Form> (721)
Free Base

>  <URL> (721)
http://www.selleckchem.com/products/yk-4-279.html

>  <CAS Number> (721)
1037184-44-3

$$$$
Reversine.cdx
csChFnd80/10101813162D

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http://www.selleckchem.com/products/pnd-1186-vs-4718.html

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1061353-68-1

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1073154-85-4

$$$$
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http://www.selleckchem.com/products/ms436.html

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1395084-25-9

$$$$
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EGFR

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1092364-38-9

$$$$
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  4 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (735)
2428

>  <Formula> (735)
C17H18BrN3O4S

>  <MolWeight> (735)
440.31152

>  <Item Name> (735)
OF-1

>  <Catalog Number> (735)
S7681

>  <Synonyms> (735)
N/A

>  <Target> (735)
Epigenetic Reader Domain

>  <Form> (735)
Free Base

>  <URL> (735)
http://www.selleckchem.com/products/of-1.html

>  <CAS Number> (735)
919973-83-4

$$$$
FTI 277 HCl.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (736)
2431

>  <Formula> (736)
C22H30ClN3O3S2

>  <MolWeight> (736)
484.0749

>  <Item Name> (736)
FTI 277 HCl

>  <Catalog Number> (736)
S7465

>  <Synonyms> (736)
N/A

>  <Target> (736)
Transferase

>  <Form> (736)
hydrochloride salt

>  <URL> (736)
http://www.selleckchem.com/products/fti-277-hcl.html

>  <CAS Number> (736)
180977-34-8

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/10101813162D

 32 33  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (737)
2433

>  <Formula> (737)
C24H28Cl2N2O4

>  <MolWeight> (737)
479.39612

>  <Item Name> (737)
SBE 13 HCl

>  <Catalog Number> (737)
S7720

>  <Synonyms> (737)
N/A

>  <Target> (737)
PLK

>  <Form> (737)
Hydrochloride

>  <URL> (737)
http://www.selleckchem.com/products/sbe-13-hcl.html

>  <CAS Number> (737)
1052532-15-6

$$$$
Salirasib.cdx
csChFnd80/10101813162D

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M  CFW  17 B_NG_STER 1
M  END
>  <Mol_ID> (738)
2435

>  <Formula> (738)
C22H30O2S

>  <MolWeight> (738)
358.5374

>  <Item Name> (738)
Salirasib

>  <Catalog Number> (738)
S7684

>  <Synonyms> (738)
N/A

>  <Target> (738)
Rho

>  <Form> (738)
Free Base

>  <URL> (738)
http://www.selleckchem.com/products/salirasib.html

>  <CAS Number> (738)
162520-00-5

$$$$
SD208.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (739)
2436

>  <Formula> (739)
C17H10ClFN6

>  <MolWeight> (739)
352.7529032

>  <Item Name> (739)
SD-208

>  <Catalog Number> (739)
S7624

>  <Synonyms> (739)
N/A

>  <Target> (739)
TGF-beta/Smad

>  <Form> (739)
Free Base

>  <URL> (739)
http://www.selleckchem.com/products/sd-208.html

>  <CAS Number> (739)
627536-09-8

$$$$
LFM-A13.cdx
csChFnd80/10101813162D

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Rho

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http://www.selleckchem.com/products/ccg-1423.html

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$$$$
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1082949-68-5

$$$$
Dovitinib Lactate.cdx
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>  <URL> (743)
http://www.selleckchem.com/products/dovitinib-tki258-lactate.html

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$$$$
BLZ945.cdx
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M  END
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BQU57

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N/A

>  <Target> (748)
Rho

>  <Form> (748)
Free Base

>  <URL> (748)
http://www.selleckchem.com/products/bqu57.html

>  <CAS Number> (748)
1637739-82-2

$$$$
GSK126.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (749)
2455

>  <Formula> (749)
C31H38N6O2

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526.67242

>  <Item Name> (749)
GSK126

>  <Catalog Number> (749)
S7061

>  <Synonyms> (749)
N/A

>  <Target> (749)
Histone Methyltransferase

>  <Form> (749)
Free Base

>  <URL> (749)
http://www.selleckchem.com/products/gsk126.html

>  <CAS Number> (749)
1346574-57-9

$$$$
Pemetrexed disodium hydrate.cdx
csChFnd80/10101813162D

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A   34
5/2H2O
M  END
>  <Mol_ID> (750)
2458

>  <Formula> (750)
C20H19N5Na2O6R

>  <MolWeight> (750)
471.3743

>  <Item Name> (750)
Pemetrexed Disodium Hydrate

>  <Catalog Number> (750)
S7785

>  <Synonyms> (750)
LY-231514 Disodium Hydrate

>  <Target> (750)
DHFR

>  <Form> (750)
Disodium Hydrate

>  <URL> (750)
http://www.selleckchem.com/products/pemetrexed-disodium-hydrate.html

>  <CAS Number> (750)
357166-30-4

$$$$
LM-3572.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (751)
2462

>  <Formula> (751)
C22H27FN4O2

>  <MolWeight> (751)
398.4737832

>  <Item Name> (751)
Sunitinib

>  <Catalog Number> (751)
S7781

>  <Synonyms> (751)
SU11248

>  <Target> (751)
PDGFR

>  <Form> (751)
Free Base

>  <URL> (751)
http://www.selleckchem.com/products/sunitinib.html

>  <CAS Number> (751)
557795-19-4

$$$$
Elacridar.cdx
csChFnd80/10101813162D

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S7772

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N/A

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P-gp

>  <Form> (752)
Free Base

>  <URL> (752)
http://www.selleckchem.com/products/elacridar-gf120918.html

>  <CAS Number> (752)
143664-11-3

$$$$
Erlotinib free Base.cdx
csChFnd80/10101813162D

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Erlotinib

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S7786

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CP358774, NSC 718781

>  <Target> (753)
EGFR

>  <Form> (753)
Free Base

>  <URL> (753)
http://www.selleckchem.com/products/erlotinib.html

>  <CAS Number> (753)
183321-74-6

$$$$
CL-387785.cdx
csChFnd80/10101813162D

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2466

>  <Formula> (754)
C18H13BrN4O

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381.22602

>  <Item Name> (754)
CL-387785 (EKI-785)

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S7557

>  <Synonyms> (754)
N/A

>  <Target> (754)
EGFR

>  <Form> (754)
Free Base

>  <URL> (754)
http://www.selleckchem.com/products/cl-387785-eki-785.html

>  <CAS Number> (754)
194423-06-8

$$$$
PF-2341066.cdx
csChFnd80/10101813162D

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2467

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C21H22Cl2FN5O

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>  <Item Name> (755)
Crizotinib (PF-02341066)

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N/A 

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c-Met, ALK

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>  <URL> (755)
http://www.selleckchem.com/products/PF-2341066.html

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877399-52-5, 877399-53-6 (acetate)

$$$$
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csChFnd80/10101813162D

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307543-71-1

$$$$
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M  END
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CB-839

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S7655

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N/A

>  <Target> (766)
Glutaminase

>  <Form> (766)
Free Base

>  <URL> (766)
http://www.selleckchem.com/products/cb-839.html

>  <CAS Number> (766)
1439399-58-2

$$$$
LDN-214117.cdx
csChFnd80/10101813162D

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S7627

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N/A

>  <Target> (767)
TGF-beta/Smad

>  <Form> (767)
Free Base

>  <URL> (767)
http://www.selleckchem.com/products/ldn-214117.html

>  <CAS Number> (767)
1627503-67-6

$$$$
Purvalanol A.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (768)
2488

>  <Formula> (768)
C19H25ClN6O

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388.8944

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Purvalanol A

>  <Catalog Number> (768)
S7793

>  <Synonyms> (768)
N/A

>  <Target> (768)
CDK

>  <Form> (768)
Free Base

>  <URL> (768)
http://www.selleckchem.com/products/purvalanol-a.html

>  <CAS Number> (768)
212844-53-6

$$$$
AZD2932.cdx
csChFnd80/10101813162D

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PDGFR

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Free Base

>  <URL> (769)
http://www.selleckchem.com/products/azd2932.html

>  <CAS Number> (769)
883986-34-3

$$$$
MHY1485.cdx
csChFnd80/10101813162D

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902135-91-5

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M  END
>  <Mol_ID> (778)
2504

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>  <MolWeight> (778)
556.40062

>  <Item Name> (778)
VER155008

>  <Catalog Number> (778)
S7751

>  <Synonyms> (778)
C07

>  <Target> (778)
HSP (e.g. HSP90)

>  <Form> (778)
Free Base

>  <URL> (778)
http://www.selleckchem.com/products/ver155008.html

>  <CAS Number> (778)
1134156-31-2

$$$$
ARRY-614.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (779)
2505

>  <Formula> (779)
C31H33FN6O3

>  <MolWeight> (779)
556.6305232

>  <Item Name> (779)
Pexmetinib (ARRY-614)

>  <Catalog Number> (779)
S7799

>  <Synonyms> (779)
N/A

>  <Target> (779)
p38 MAPK

>  <Form> (779)
Free Base

>  <URL> (779)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

>  <CAS Number> (779)
945614-12-0

$$$$
Pyridostatin.cdx
csChFnd80/10101813162D

 51 54  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (780)
2506

>  <Formula> (780)
C33H33F3N8O7

>  <MolWeight> (780)
710.6597296

>  <Item Name> (780)
Pyridostatin Trifluoroacetate Salt

>  <Catalog Number> (780)
S7444

>  <Synonyms> (780)
N/A

>  <Target> (780)
DNA/RNA Synthesis

>  <Form> (780)
trifluoroacetat

>  <URL> (780)
http://www.selleckchem.com/products/pyridostatin-trifluoroacetate-salt.html

>  <CAS Number> (780)
1085412-37-8

$$$$
GSK J1.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (785)
2512

>  <Formula> (785)
C21H21F3IN3O2

>  <MolWeight> (785)
531.3100196

>  <Item Name> (785)
Cobimetinib (GDC-0973, RG7420)

>  <Catalog Number> (785)
S8041

>  <Synonyms> (785)
XL518

>  <Target> (785)
MEK

>  <Form> (785)
Free Base

>  <URL> (785)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

>  <CAS Number> (785)
934660-93-2

$$$$
BVD-523.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (786)
2513

>  <Formula> (786)
C21H22Cl2N4O2

>  <MolWeight> (786)
433.33098

>  <Item Name> (786)
Ulixertinib (BVD-523, VRT752271)

>  <Catalog Number> (786)
S7854

>  <Synonyms> (786)
N/A

>  <Target> (786)
ERK

>  <Form> (786)
Free Base

>  <URL> (786)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

>  <CAS Number> (786)
869886-67-9

$$$$
BPTES.cdx
csChFnd80/10101813162D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (787)
2515

>  <Formula> (787)
C24H24N6O2S3

>  <MolWeight> (787)
524.68136

>  <Item Name> (787)
BPTES

>  <Catalog Number> (787)
S7753

>  <Synonyms> (787)
N/A

>  <Target> (787)
Glutaminase

>  <Form> (787)
Free Base

>  <URL> (787)
http://www.selleckchem.com/products/bptes.html

>  <CAS Number> (787)
314045-39-1

$$$$
Licochalcone A.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (788)
2517

>  <Formula> (788)
C21H22O4

>  <MolWeight> (788)
338.39698

>  <Item Name> (788)
Licochalcone A

>  <Catalog Number> (788)
S7828

>  <Synonyms> (788)
N/A

>  <Target> (788)
Estrogen/progestogen Receptor

>  <Form> (788)
Free Base

>  <URL> (788)
http://www.selleckchem.com/products/licochalcone-a.html

>  <CAS Number> (788)
58749-22-7

$$$$
Endoxifen HCl.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (789)
2521

>  <Formula> (789)
C25H28ClNO2

>  <MolWeight> (789)
409.94832

>  <Item Name> (789)
Endoxifen HCl

>  <Catalog Number> (789)
S7839

>  <Synonyms> (789)
N/A

>  <Target> (789)
Estrogen/progestogen Receptor

>  <Form> (789)
Hydrochloride

>  <URL> (789)
http://www.selleckchem.com/products/endoxifen-hcl.html

>  <CAS Number> (789)
1032008-74-4

$$$$
CPI-169.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (790)
2522

>  <Formula> (790)
C27H36N4O5S

>  <MolWeight> (790)
528.66354

>  <Item Name> (790)
CPI-169

>  <Catalog Number> (790)
S7616

>  <Synonyms> (790)
N/A

>  <Target> (790)
Histone Methyltransferase

>  <Form> (790)
Free Base

>  <URL> (790)
http://www.selleckchem.com/products/cpi-169.html

>  <CAS Number> (790)
1450655-76-1

$$$$
SC79.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (791)
2523

>  <Formula> (791)
C17H17ClN2O5

>  <MolWeight> (791)
364.78028

>  <Item Name> (791)
SC79

>  <Catalog Number> (791)
S7863

>  <Synonyms> (791)
N/A

>  <Target> (791)
Akt

>  <Form> (791)
Free Base

>  <URL> (791)
http://www.selleckchem.com/products/sc79.html

>  <CAS Number> (791)
305834-79-1

$$$$
BI-847325.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (792)
2524

>  <Formula> (792)
C29H28N4O2

>  <MolWeight> (792)
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>  <Item Name> (792)
BI-847325

>  <Catalog Number> (792)
S7843

>  <Synonyms> (792)
N/A

>  <Target> (792)
MEK

>  <Form> (792)
Free Base

>  <URL> (792)
http://www.selleckchem.com/products/bi-847325.html

>  <CAS Number> (792)
1207293-36-4

$$$$
AZ5104.cdx
csChFnd80/10101813162D

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M  END
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2525

>  <Formula> (793)
C27H31N7O2

>  <MolWeight> (793)
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>  <Item Name> (793)
AZ5104

>  <Catalog Number> (793)
S7298

>  <Synonyms> (793)
N/A

>  <Target> (793)
EGFR

>  <Form> (793)
Free Base

>  <URL> (793)
http://www.selleckchem.com/products/az5104.html

>  <CAS Number> (793)
1421373-98-9

$$$$
Xanthohumol.cdx
csChFnd80/10101813162D

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M  END
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>  <Formula> (794)
C21H22O5

>  <MolWeight> (794)
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>  <Item Name> (794)
Xanthohumol

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S7889

>  <Synonyms> (794)
N/A

>  <Target> (794)
COX

>  <Form> (794)
Free Base

>  <URL> (794)
http://www.selleckchem.com/products/xanthohumol.html

>  <CAS Number> (794)
6754-58-1

$$$$
AMI-1.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (795)
2538

>  <Formula> (795)
C21H14N2Na2O9S2

>  <MolWeight> (795)
548.4534

>  <Item Name> (795)
AMI-1

>  <Catalog Number> (795)
S7884

>  <Synonyms> (795)
N/A

>  <Target> (795)
Histone Methyltransferase

>  <Form> (795)
disodium salt

>  <URL> (795)
http://www.selleckchem.com/products/ami-1.html

>  <CAS Number> (795)
20324-87-2

$$$$
GDC0623.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (796)
2539

>  <Formula> (796)
C16H14FIN4O3

>  <MolWeight> (796)
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>  <Item Name> (796)
GDC-0623

>  <Catalog Number> (796)
S7553

>  <Synonyms> (796)
G-868

>  <Target> (796)
MEK

>  <Form> (796)
Free Base

>  <URL> (796)
http://www.selleckchem.com/products/gdc-0623.html

>  <CAS Number> (796)
1168091-68-6

$$$$
G007-LK.cdx
csChFnd80/10101813162D

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2591

>  <Formula> (815)
C32H34O10

>  <MolWeight> (815)
578.60636

>  <Item Name> (815)
gossypol-Acetic acid

>  <Catalog Number> (815)
S2303

>  <Synonyms> (815)
Pogosin, AT101

>  <Target> (815)
Dehydrogenase

>  <Form> (815)
Acetate

>  <URL> (815)
http://www.selleckchem.com/products/Gossypol.html

>  <CAS Number> (815)
12542-36-8

$$$$
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>  <Mol_ID> (816)
2592

>  <Formula> (816)
C21H28Cl2N6O2

>  <MolWeight> (816)
467.39202

>  <Item Name> (816)
Quisinostat (JNJ-26481585) 2HCl

>  <Catalog Number> (816)
S1096

>  <Synonyms> (816)
N/A

>  <Target> (816)
HDAC

>  <Form> (816)
Dihydrochloride

>  <URL> (816)
http://www.selleckchem.com/products/JNJ-26481585.html

>  <CAS Number> (816)
875320-31-3

$$$$
ONC201.cdx
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>  <Mol_ID> (817)
2593

>  <Formula> (817)
C24H26N4O

>  <MolWeight> (817)
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>  <Item Name> (817)
TIC10

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S7963

>  <Synonyms> (817)
N/A

>  <Target> (817)
Akt

>  <Form> (817)
Free Base

>  <URL> (817)
http://www.selleck.cn/products/tic-10.html

>  <CAS Number> (817)
1616632-77-9

$$$$
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>  <Formula> (841)
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S7646

>  <Synonyms> (841)
N/A

>  <Target> (841)
PI3K

>  <Form> (841)
Free Base

>  <URL> (841)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

>  <CAS Number> (841)
934493-76-2

$$$$
Mitomycin C.cdx
csChFnd80/10101813162D

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2646

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C15H18N4O5

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>  <Item Name> (842)
Mitomycin C

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S8146

>  <Synonyms> (842)
N/A
N/A
N/A

>  <Target> (842)
DNA/RNA Synthesis

>  <Form> (842)
Free Base

>  <URL> (842)
http://www.selleckchem.com/products/mitomycin-c.html

>  <CAS Number> (842)
50-07-7

$$$$
PS-1145.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (843)
2647

>  <Formula> (843)
C17H11ClN4O

>  <MolWeight> (843)
322.74844

>  <Item Name> (843)
PS-1145

>  <Catalog Number> (843)
S7691

>  <Synonyms> (843)
N/A

>  <Target> (843)
I¦ÊB/IKK

>  <Form> (843)
Free base

>  <URL> (843)
http://www.selleckchem.com/products/ps-1145.html

>  <CAS Number> (843)
431898-65-6

$$$$
LJI308.cdx
csChFnd80/10101813162D

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2650

>  <Formula> (844)
C21H18F2N2O2

>  <MolWeight> (844)
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>  <Item Name> (844)
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>  <Catalog Number> (844)
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>  <Synonyms> (844)
N/A

>  <Target> (844)
S6 Kinase

>  <Form> (844)
Free Base

>  <URL> (844)
http://www.selleckchem.com/products/lji308.html

>  <CAS Number> (844)
1627709-94-7

$$$$
PX-12.cdx
csChFnd80/10101813162D

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>  <Formula> (845)
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N/A

>  <Target> (845)
Thioredoxin

>  <Form> (845)
Free Base

>  <URL> (845)
http://www.selleckchem.com/products/px-12.html

>  <CAS Number> (845)
141400-58-0

$$$$
SGC707.cdx
csChFnd80/10101813162D

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Histone Methyltransferase

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Free Base

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http://www.selleckchem.com/products/sgc707.html

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1687736-54-4

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GNF-7

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>  <Target> (847)
Bcr-Abl

>  <Form> (847)
Free Base

>  <URL> (847)
http://www.selleckchem.com/products/gnf-7.html

>  <CAS Number> (847)
839706-07-9

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NSC59984.cdx
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p53

>  <Form> (848)
Free Base

>  <URL> (848)
http://www.selleckchem.com/products/nsc59984.html

>  <CAS Number> (848)
803647-40-7

$$$$
Cucurbitacin B.cdx
csChFnd80/10101813162D

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>  <Synonyms> (849)
N/A

>  <Target> (849)
Microtubule Associated

>  <Form> (849)
Free Base

>  <URL> (849)
http://www.selleckchem.com/products/cucurbitacin-b.html

>  <CAS Number> (849)
6199-67-3

$$$$
Mirin.cdx
csChFnd80/10101813162D

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ATM/ATR

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>  <URL> (850)
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1198097-97-0

$$$$
SCH58261.cdx
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Adenosine Receptor

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Free Base

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http://www.selleckchem.com/products/sch58261.html

>  <CAS Number> (851)
160098-96-4

$$$$
MS023.cdx
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Histone Methyltransferase

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Free Base

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http://www.selleckchem.com/products/ms023.html

>  <CAS Number> (852)
1831110-54-3

$$$$
CC-223.cdx
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mTOR

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Free Base

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http://www.selleckchem.com/products/cc-223.html

>  <CAS Number> (853)
1228013-30-6

$$$$
Chaetocin.cdx
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Histone Methyltransferase

>  <Form> (854)
Free Base

>  <URL> (854)
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>  <CAS Number> (854)
28097-03-2

$$$$
AZD3965.cdx
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1096708-71-2

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1420477-60-6

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M  END
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2701

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C78H106N18O9

>  <MolWeight> (866)
1439.79144

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LTX-315

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S8199

>  <Synonyms> (866)
Oncopore

>  <Target> (866)
Others

>  <Form> (866)
Free Base

>  <URL> (866)
http://www.selleckchem.com/products/ltx-315.html

>  <CAS Number> (866)
1345407-05-7

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (867)
2702

>  <Formula> (867)
C22H28N4O2

>  <MolWeight> (867)
380.48332

>  <Item Name> (867)
GSK591 (EPZ015866,GSK3203591)

>  <Catalog Number> (867)
S8111

>  <Synonyms> (867)
EPZ015866, GSK3203591

>  <Target> (867)
Histone Methyltransferase

>  <Form> (867)
Free Base

>  <URL> (867)
http://www.selleckchem.com/products/gsk591-epz015866-gsk3203591.html

>  <CAS Number> (867)
1616391-87-7

$$$$
HLCL-61.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (868)
2707

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C23H25ClN2O

>  <MolWeight> (868)
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>  <Item Name> (868)
HLCL-61 hydrochloride

>  <Catalog Number> (868)
S8209

>  <Synonyms> (868)
HLCL61

>  <Target> (868)
Histone Methyltransferase

>  <Form> (868)
Hydrochloride

>  <URL> (868)
http://www.selleckchem.com/products/hlcl-61-hydrochloride.html

>  <CAS Number> (868)
1158279-20-9

$$$$
I-BRD9 (GSK602).cdx
csChFnd80/10101813162D

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>  <Mol_ID> (869)
2708

>  <Formula> (869)
C22H22F3N3O3S2

>  <MolWeight> (869)
497.5535896

>  <Item Name> (869)
I-BRD9 (GSK602)

>  <Catalog Number> (869)
S7835

>  <Synonyms> (869)
GSK602

>  <Target> (869)
Epigenetic Reader Domain

>  <Form> (869)
Free Base

>  <URL> (869)
http://www.selleckchem.com/products/i-brd9-gsk602.html

>  <CAS Number> (869)
1714146-59-4

$$$$
Vinblastine sulfate.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (870)
2709

>  <Formula> (870)
C46H60N4O13S

>  <MolWeight> (870)
909.0526

>  <Item Name> (870)
Vinblastine sulfate

>  <Catalog Number> (870)
S4505

>  <Synonyms> (870)
NSC49842

>  <Target> (870)
Microtubule Associated

>  <Form> (870)
Free Base

>  <URL> (870)
http://www.selleckchem.com/products/vinblastine-sulfate.html

>  <CAS Number> (870)
143-67-9

$$$$
SMER28.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (871)
2711

>  <Formula> (871)
C11H10BrN3

>  <MolWeight> (871)
264.1212

>  <Item Name> (871)
SMER28

>  <Catalog Number> (871)
S8240

>  <Synonyms> (871)
N/A

>  <Target> (871)
Autophagy

>  <Form> (871)
Free Base

>  <URL> (871)
http://www.selleckchem.com/products/smer28.html

>  <CAS Number> (871)
307538-42-7

$$$$
RSL3.cdx
csChFnd80/10101813162D

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http://www.selleckchem.com/products/pri-724.html

>  <CAS Number> (880)
847591-62-2

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Estrogen/progestogen Receptor

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>  <URL> (881)
http://www.selleckchem.com/products/4-hydroxytamoxifen-4-ht-afimoxifene.html

>  <CAS Number> (881)
68392-35-8

$$$$
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>  <Target> (882)
Immunology & Inflammation

>  <Form> (882)
Free Base

>  <URL> (882)
http://www.selleckchem.com/products/c-dim12.html

>  <CAS Number> (882)
178946-89-9

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cAMP

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>  <CAS Number> (883)
97-18-7

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Danthron.cdx
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chrysazin, Antrapurol

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>  <URL> (884)
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117-10-2

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M  END
>  <Mol_ID> (885)
2775

>  <Formula> (885)
C13H9N5O5S2

>  <MolWeight> (885)
379.37106

>  <Item Name> (885)
BI-78D3

>  <Catalog Number> (885)
S8201

>  <Synonyms> (885)
N/A

>  <Target> (885)
JNK

>  <Form> (885)
Free Base

>  <URL> (885)
http://www.selleckchem.com/products/bi-78d3.html

>  <CAS Number> (885)
883065-90-5

$$$$
FCCP.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (886)
2776

>  <Formula> (886)
C10H5F3N4O

>  <MolWeight> (886)
254.1681096

>  <Item Name> (886)
FCCP

>  <Catalog Number> (886)
S8276

>  <Synonyms> (886)
Trifluoromethoxy carbonylcyanide phenylhydrazone

>  <Target> (886)
ATPase

>  <Form> (886)
Free Base

>  <URL> (886)
http://www.selleckchem.com/products/fccp.html

>  <CAS Number> (886)
370-86-5

$$$$
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M  END
>  <Mol_ID> (887)
2781

>  <Formula> (887)
C223H330N80O51

>  <MolWeight> (887)
4947.5117

>  <Item Name> (887)
APTSTAT3-9R

>  <Catalog Number> (887)
S8197

>  <Synonyms> (887)
N/A

>  <Target> (887)
STAT

>  <Form> (887)
Free Base

>  <URL> (887)
http://www.selleckchem.com/products/aptstat3-9r.html

>  <CAS Number> (887)
C223H330N80O51

$$$$
ReACp53.cdx
csChFnd80/10101813162D

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S8187

>  <Synonyms> (888)
N/A

>  <Target> (888)
p53

>  <Form> (888)
Free Base

>  <URL> (888)
http://www.selleckchem.com/products/reacp53.html

>  <CAS Number> (888)
N/A

$$$$
IC261.cdx
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C18H17NO4

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311.33188

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IC261

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S8237

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SU-5607

>  <Target> (889)
Casein Kinase

>  <Form> (889)
Free Base

>  <URL> (889)
http://www.selleckchem.com/products/ic261.html

>  <CAS Number> (889)
186611-52-9

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A-366.cdx
csChFnd80/10101813162D

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2791

>  <Formula> (890)
C19H27N3O2

>  <MolWeight> (890)
329.43658

>  <Item Name> (890)
A-366

>  <Catalog Number> (890)
S7572

>  <Synonyms> (890)
N/A

>  <Target> (890)
Histone Methyltransferase

>  <Form> (890)
Free Base

>  <URL> (890)
http://www.selleckchem.com/products/a-366.html

>  <CAS Number> (890)
1527503-11-2

$$$$
Urethane.cdx
csChFnd80/10101813162D

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2815

>  <Formula> (891)
C3H7NO2

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89.09318

>  <Item Name> (891)
Urethane

>  <Catalog Number> (891)
S4544

>  <Synonyms> (891)
Carbamic acid ethyl ester, Ethyl carbamate, Ethylurethane

>  <Target> (891)
Others

>  <Form> (891)
Free Base

>  <URL> (891)
http://www.selleckchem.com/products/urethane.html

>  <CAS Number> (891)
51-79-6

$$$$
AMG337.cdx
csChFnd80/10101813162D

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2817

>  <Formula> (892)
C23H22FN7O3

>  <MolWeight> (892)
463.4642832

>  <Item Name> (892)
AMG 337

>  <Catalog Number> (892)
S8167

>  <Synonyms> (892)
N/A

>  <Target> (892)
c-Met

>  <Form> (892)
Free Base

>  <URL> (892)
http://www.selleckchem.com/products/amg-337.html

>  <CAS Number> (892)
1173699-31-4

$$$$
SKF96365.cdx
csChFnd80/10101813162D

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2819

>  <Formula> (893)
C22H27ClN2O3

>  <MolWeight> (893)
402.91438

>  <Item Name> (893)
SKF96365

>  <Catalog Number> (893)
S7999

>  <Synonyms> (893)
N/A

>  <Target> (893)
Calcium Channel

>  <Form> (893)
Hydrochloride

>  <URL> (893)
http://www.selleckchem.com/products/skf96365.html

>  <CAS Number> (893)
130495-35-1

$$$$
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csChFnd80/10101813162D

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Antifection

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

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127-71-9

$$$$
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Caspase

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175026-96-7

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Rho

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Free Base

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436133-68-5

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Lipoxygenase

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>  <URL> (897)
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118414-82-7

$$$$
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  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 26 29  2  0  0  0  0
  7 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34  7  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (898)
2866

>  <Formula> (898)
C26H26N6O2S

>  <MolWeight> (898)
486.58864

>  <Item Name> (898)
Olmutinib (HM61713, BI 1482694)

>  <Catalog Number> (898)
S8294

>  <Synonyms> (898)
BI 1482694, HM61713, HM71224

>  <Target> (898)
EGFR

>  <Form> (898)
Free Base

>  <URL> (898)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

>  <CAS Number> (898)
1353550-13-6

$$$$
IQ-1.cdx
csChFnd80/10101813162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    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
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 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
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 17 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 18  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (899)
2887

>  <Formula> (899)
C21H22N4O2

>  <MolWeight> (899)
362.42498

>  <Item Name> (899)
IQ-1

>  <Catalog Number> (899)
S8248

>  <Synonyms> (899)
N/A

>  <Target> (899)
Wnt/beta-catenin

>  <Form> (899)
Free Base

>  <URL> (899)
http://www.selleckchem.com/products/iq-1.html

>  <CAS Number> (899)
331001-62-8

$$$$
5-Iodotubercidin.cdx
csChFnd80/10101813162D

 20 22  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
    4.2989    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.4444    8.1241    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  4  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
  6 10  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  1  0  0  0
 12 16  1  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 13  1  0  0  0  0
 18 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (900)
2888

>  <Formula> (900)
C11H13IN4O4

>  <MolWeight> (900)
392.14979

>  <Item Name> (900)
5-Iodotubercidin

>  <Catalog Number> (900)
S8314

>  <Synonyms> (900)
NSC 113939, 5-ITu

>  <Target> (900)
Adenosine Receptor

>  <Form> (900)
Free Base

>  <URL> (900)
http://www.selleckchem.com/products/5-iodotubercidin.html

>  <CAS Number> (900)
24386-93-4

$$$$
S4601 5-Chloro-8-hydroxy-7-iodoquinoline.cdx
csChFnd80/10101813162D

 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> (901)
2921

>  <Formula> (901)
C9H5ClINO

>  <MolWeight> (901)
305.49957

>  <Item Name> (901)
Clioquinol

>  <Catalog Number> (901)
S4601

>  <Synonyms> (901)
Clioquinol, Iodochlorhydroxyquin, Chinoform

>  <Target> (901)
Antifection

>  <Form> (901)
Free Base

>  <URL> (901)
http://www.selleckchem.com/products/5-chloro-8-hydroxy-7-iodoquinoline.html

>  <CAS Number> (901)
130-26-7

$$$$
S4690 Vitamin E.cdx
csChFnd80/10101813162D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.6403    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    3.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0658    2.1073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2161    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2782    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036    1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4916    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6854    1.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256    2.1347    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1058    1.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256    3.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3525    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    1.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7776    2.2144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9535    1.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7776    3.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2022    2.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3779    1.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6268    2.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8024    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6268    3.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0592    3.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 11  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  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
 23 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
  7 31  1  1  0  0  0
M  END
>  <Mol_ID> (902)
2930

>  <Formula> (902)
C29H50O2

>  <MolWeight> (902)
430.7061

>  <Item Name> (902)
Vitamin E

>  <Catalog Number> (902)
S4686

>  <Synonyms> (902)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (902)
COX,VEGFR

>  <Form> (902)
Free Base

>  <URL> (902)
http://www.selleckchem.com/products/vitamin-e.html

>  <CAS Number> (902)
59-02-9

$$$$
CCF642.cdx
csChFnd80/10101813162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544    1.7641    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6903    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6903    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5870    3.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8660    3.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1570    2.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5494    1.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1188    3.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0784    4.1176    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.4882    3.4719    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.8506    4.8242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4782    2.4819    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 12 13  2  0  0  0  0
  9 14  2  0  0  0  0
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p53

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5608-24-2

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N/A

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sodium salt

>  <URL> (910)
http://www.selleckchem.com/products/nsc87877.html

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56932-43-5

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Bcl-2

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hydrochloride

>  <URL> (911)
http://www.selleckchem.com/products/a-1155463.html

>  <CAS Number> (911)
1235034-55-5

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2974

>  <Formula> (912)
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Melphalan

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S8266

>  <Synonyms> (912)
Alkeran, Sarcolysin, L-PAM

>  <Target> (912)
Others

>  <Form> (912)
Free Base

>  <URL> (912)
http://www.selleckchem.com/products/melphalan.html

>  <CAS Number> (912)
148-82-3

$$$$
MK-4101.cdx
csChFnd80/10101813162D

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2976

>  <Formula> (913)
C24H24F5N5O

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S8200

>  <Synonyms> (913)
N/A

>  <Target> (913)
Hedgehog/Smoothened

>  <Form> (913)
Free Base

>  <URL> (913)
http://www.selleckchem.com/products/mk-4101.html

>  <CAS Number> (913)
935273-79-3

$$$$
VO-Ohpic.cdx
csChFnd80/10101813162D

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>  <Formula> (914)
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>  <MolWeight> (914)
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VO-Ohpic trihydrate

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S8174

>  <Synonyms> (914)
N/A

>  <Target> (914)
Others

>  <Form> (914)
trihydrate

>  <URL> (914)
http://www.selleckchem.com/products/vo-ohpic.html

>  <CAS Number> (914)
476310-60-8

$$$$
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csChFnd80/10101813162D

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>  <Target> (915)
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>  <Form> (915)
Free Base

>  <URL> (915)
http://www.selleckchem.com/products/esculetin.html

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305-01-1

$$$$
S4728 3,3'-Diindolylmethane.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (916)
2983

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>  <MolWeight> (916)
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>  <Item Name> (916)
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>  <Catalog Number> (916)
S4728

>  <Synonyms> (916)
DIM

>  <Target> (916)
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>  <Form> (916)
Free Base

>  <URL> (916)
http://www.selleckchem.com/products/3-3-diindolylmethane.html

>  <CAS Number> (916)
1968-05-4

$$$$
EAI045.cdx
csChFnd80/10101813162D

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EGFR

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Wnt/beta-catenin

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potassium salt

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1956356-56-1

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PI3K

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1620576-64-8

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Syk

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dihydrochloride

>  <URL> (920)
http://www.selleckchem.com/products/bay-61-3606.html

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648903-57-5

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M  END
>  <Mol_ID> (925)
3016

>  <Formula> (925)
C36H42N6O

>  <MolWeight> (925)
574.75828

>  <Item Name> (925)
LLY-507

>  <Catalog Number> (925)
S7575

>  <Synonyms> (925)
N/A

>  <Target> (925)
Histone Methyltransferase

>  <Form> (925)
Free Base

>  <URL> (925)
http://www.selleckchem.com/products/lly-507.html

>  <CAS Number> (925)
1793053-37-8

$$$$
Deguelin.cdx
csChFnd80/10101813162D

 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
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M  END
>  <Mol_ID> (926)
3018

>  <Formula> (926)
C23H22O6

>  <MolWeight> (926)
394.41718

>  <Item Name> (926)
Deguelin

>  <Catalog Number> (926)
S8132

>  <Synonyms> (926)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (926)
Akt

>  <Form> (926)
Free Base

>  <URL> (926)
http://www.selleckchem.com/products/deguelin.html

>  <CAS Number> (926)
522-17-8

$$$$
Voreloxin  SNS-595.cdx
csChFnd80/10101813162D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (927)
3030

>  <Formula> (927)
C18H20ClN5O4S

>  <MolWeight> (927)
437.9005

>  <Item Name> (927)
Voreloxin (SNS-595) hydrochloride

>  <Catalog Number> (927)
S7518

>  <Synonyms> (927)
N/A

>  <Target> (927)
Topoisomerase

>  <Form> (927)
hydrochloride

>  <URL> (927)
http://www.selleckchem.com/products/voreloxin-sns-595.html

>  <CAS Number> (927)
175519-16-1

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/10101813162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    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> (928)
3031

>  <Formula> (928)
C22H15F3N4O2

>  <MolWeight> (928)
424.3753096

>  <Item Name> (928)
BAW2881 (NVP-BAW2881)

>  <Catalog Number> (928)
S8189

>  <Synonyms> (928)
N/A

>  <Target> (928)
VEGFR

>  <Form> (928)
Free Base

>  <URL> (928)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

>  <CAS Number> (928)
861875-60-7

$$$$
GGTI 298.cdx
csChFnd80/10101813162D

 41 42  0  0  0  0  0  0  0  0999 V2000
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GGTI 298 TFA salt

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S7466

>  <Synonyms> (929)
N/A

>  <Target> (929)
Transferase

>  <Form> (929)
trifluoroacetat

>  <URL> (929)
http://www.selleckchem.com/products/ggti-298.html

>  <CAS Number> (929)
1217457-86-7

$$$$
Alantolactone.cdx
csChFnd80/10101813162D

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C15H20O2

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Alantolactone

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S8318

>  <Synonyms> (930)
helenin, helenine, Eupatal

>  <Target> (930)
Others

>  <Form> (930)
Free Base

>  <URL> (930)
http://www.selleckchem.com/products/alantolactone.html

>  <CAS Number> (930)
546-43-0

$$$$
ML390.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (931)
3038

>  <Formula> (931)
C21H21F3N2O3

>  <MolWeight> (931)
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>  <Item Name> (931)
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>  <Synonyms> (931)
N/A

>  <Target> (931)
Dehydrogenase

>  <Form> (931)
Free Base

>  <URL> (931)
http://www.selleckchem.com/products/ml390.html

$$$$
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>  <Formula> (932)
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>  <MolWeight> (932)
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>  <Item Name> (932)
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>  <Synonyms> (932)
N/A

>  <Target> (932)
Bcl-2

>  <Form> (932)
Free Base

>  <URL> (932)
http://www.selleckchem.com/products/bda-366.html

>  <CAS Number> (932)
1909226-00-1

$$$$
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937263-43-9

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Histone Demethylase

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hydrochloride

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http://www.selleckchem.com/products/cpi-455.html

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c-Met

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http://www.selleckchem.com/products/ly2801653-merestinib.html

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1206799-15-6

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1382979-44-3

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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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 27 21  1  0  0  0  0
 17 28  2  0  0  0  0
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 29 30  2  0  0  0  0
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 31 32  2  0  0  0  0
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 30 33  1  0  0  0  0
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 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
M  END
>  <Mol_ID> (949)
3093

>  <Formula> (949)
C31H30Cl3N7O2

>  <MolWeight> (949)
638.9746

>  <Item Name> (949)
THZ1 2HCl

>  <Catalog Number> (949)
S7549

>  <Synonyms> (949)
N/A

>  <Target> (949)
CDK

>  <Form> (949)
dihydrochloride

>  <URL> (949)
http://www.selleckchem.com/products/thz1.html

>  <CAS Number> (949)
1604810-83-4(free base)

$$$$
Salinomycin.cdx
csChFnd80/10101813162D

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  9 35  1  1  0  0  0
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 15 48  1  6  0  0  0
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M  END
>  <Mol_ID> (950)
3096

>  <Formula> (950)
C42H70O11

>  <MolWeight> (950)
750.9986

>  <Item Name> (950)
Salinomycin (from Streptomyces albus)

>  <Catalog Number> (950)
S8129

>  <Synonyms> (950)
Coxistac, Bio-cox

>  <Target> (950)
Others

>  <Form> (950)
Free Base

>  <URL> (950)
http://www.selleckchem.com/products/salinomycin.html

>  <CAS Number> (950)
53003-10-4

$$$$
S4746 (20S)-Protopanaxadiol.cdx
csChFnd80/10101813162D

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.0821    3.4730    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (951)
3098

>  <Formula> (951)
C30H52O3

>  <MolWeight> (951)
460.73208

>  <Item Name> (951)
(20S)-Protopanaxadiol

>  <Catalog Number> (951)
S4746

>  <Synonyms> (951)
20-Epiprotopanaxadiol

>  <Target> (951)
Others

>  <Form> (951)
Free Base

>  <URL> (951)
http://www.selleckchem.com/products/20s-protopanaxadiol.html

>  <CAS Number> (951)
30636-90-9

$$$$
S4738 Arctiin.cdx
csChFnd80/10101813162D

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Kinesin

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329689-23-8

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Gamma-secretase

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Free Base

>  <URL> (954)
http://www.selleckchem.com/products/ly3039478.html

>  <CAS Number> (954)
1421438-81-4

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Histone Methyltransferase

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dihydrochloride

>  <URL> (955)
http://www.selleckchem.com/products/epz020411.html

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1700663-41-7(free base)

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c-Met  & FGFR

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Free Base

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http://www.selleckchem.com/products/s49076.html

>  <CAS Number> (956)
1265965-22-7

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Miransertib

>  <Target> (957)
Akt

>  <Form> (957)
hydrochloride

>  <URL> (957)
http://www.selleckchem.com/products/arq-092.html

>  <CAS Number> (957)
1313883-00-9

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HSP (e.g. HSP90)

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Free Base

>  <URL> (958)
http://www.selleckchem.com/products/kribb11.html

>  <CAS Number> (958)
342639-96-7

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STAT

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M  END
>  <Mol_ID> (960)
3121

>  <Formula> (960)
C21H21ClN2O2S

>  <MolWeight> (960)
400.92164

>  <Item Name> (960)
OTS514 hydrochloride

>  <Catalog Number> (960)
S7652

>  <Synonyms> (960)
N/A

>  <Target> (960)
TOPK

>  <Form> (960)
hydrochloride

>  <URL> (960)
http://www.selleckchem.com/products/ots514.html

>  <CAS Number> (960)
1338540-63-8(free base)

$$$$
SAR-020106.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (961)
3122

>  <Formula> (961)
C19H19ClN6O

>  <MolWeight> (961)
382.84676

>  <Item Name> (961)
SAR-020106

>  <Catalog Number> (961)
S7740

>  <Synonyms> (961)
N/A

>  <Target> (961)
Chk

>  <Form> (961)
Free Base

>  <URL> (961)
http://www.selleckchem.com/products/sar-020106.html

>  <CAS Number> (961)
1184843-57-9

$$$$
Importazole.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (962)
3123

>  <Formula> (962)
C20H22N4

>  <MolWeight> (962)
318.41548

>  <Item Name> (962)
Importazole

>  <Catalog Number> (962)
S8446

>  <Synonyms> (962)
N/A

>  <Target> (962)
Others

>  <Form> (962)
Free Base

>  <URL> (962)
http://www.selleckchem.com/products/importazole.html

>  <CAS Number> (962)
662163-81-7

$$$$
MI-463.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (963)
3124

>  <Formula> (963)
C24H23F3N6S

>  <MolWeight> (963)
484.5398296

>  <Item Name> (963)
MI-463

>  <Catalog Number> (963)
S7816

>  <Synonyms> (963)
N/A

>  <Target> (963)
Histone Methyltransferase

>  <Form> (963)
Free Base

>  <URL> (963)
http://www.selleckchem.com/products/mi-463.html

>  <CAS Number> (963)
1628317-18-9

$$$$
RRx-001.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (964)
3125

>  <Formula> (964)
C5H6BrN3O5

>  <MolWeight> (964)
268.02224

>  <Item Name> (964)
RRx-001

>  <Catalog Number> (964)
S8405

>  <Synonyms> (964)
N/A

>  <Target> (964)
Dehydrogenase

>  <Form> (964)
Free Base

>  <URL> (964)
http://www.selleckchem.com/products/rrx-001.html

>  <CAS Number> (964)
925206-65-1

$$$$
S8275-eFT-508.cdx
csChFnd80/10101813162D

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Sirtuin

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Histone Methyltransferase

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1857417-13-0

$$$$
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hydrochloride

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1439901-97-9

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1105698-15-4

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3169

>  <Formula> (984)
C26H31ClN6O2

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>  <Item Name> (984)
Nazartinib (EGF816, NVS-816)

>  <Catalog Number> (984)
S7824

>  <Synonyms> (984)
N/A

>  <Target> (984)
EGFR

>  <Form> (984)
Free Base

>  <URL> (984)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

>  <CAS Number> (984)
1508250-71-2

$$$$
B02.cdx
csChFnd80/10101813162D

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C22H17N3O

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B02

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S8434

>  <Synonyms> (985)
N/A

>  <Target> (985)
DNA/RNA Synthesis

>  <Form> (985)
Free Base

>  <URL> (985)
http://www.selleckchem.com/products/b02.html

>  <CAS Number> (985)
1290541-46-6

$$$$
OTS964.cdx
csChFnd80/10101813162D

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3171

>  <Formula> (986)
C23H26Cl2N2O2S

>  <MolWeight> (986)
465.43574

>  <Item Name> (986)
OTS964

>  <Catalog Number> (986)
S7648

>  <Synonyms> (986)
N/A

>  <Target> (986)
Others

>  <Form> (986)
dihydrochloride

>  <URL> (986)
http://www.selleckchem.com/products/ots964.html

>  <CAS Number> (986)
1338545-07-5(HCl salt)

$$$$
10074-G5.cdx
csChFnd80/10101813162D

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>  <Formula> (987)
C18H12N4O3

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>  <Item Name> (987)
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>  <Target> (987)
c-Myc

>  <Form> (987)
Free Base

>  <URL> (987)
http://www.selleckchem.com/products/10074-g5.html

>  <CAS Number> (987)
413611-93-5

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csChFnd80/10101813162D

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1262417-51-5

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http://www.selleckchem.com/products/troglitazone-cs-045.html

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97322-87-7

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Sirtuin activator

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hydrochloride

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http://www.selleckchem.com/products/srt3025.html

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2070015-26-6

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Epigenetic Reader Domain

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Free Base

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2083627-02-3

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PLK

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http://www.selleckchem.com/products/cfi-400945.html

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>  <Target> (996)
GLUT

>  <Form> (996)
Free Base

>  <URL> (996)
http://www.selleckchem.com/products/bay-876.html

>  <CAS Number> (996)
1799753-84-6

$$$$
AZD5153.cdx
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>  <Target> (997)
Epigenetic Reader Domain

>  <Form> (997)
2-Naphthalenecarboxylic acid

>  <URL> (997)
http://www.selleckchem.com/products/azd5153.html

>  <CAS Number> (997)
1869912-40-2

$$$$
YU238259.cdx
csChFnd80/10101813162D

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DNA-PK

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Free Base

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http://www.selleckchem.com/products/yu238259.html

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1943733-16-1

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VLX1570.cdx
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DUB

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free base

>  <URL> (999)
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>  <CAS Number> (999)
1431280-51-1

$$$$
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>  <Synonyms> (1,007)
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CDK8

>  <Form> (1,007)
free base

>  <URL> (1,007)
http://www.selleckchem.com/products/msc2530818.html

>  <CAS Number> (1,007)
1883423-59-3

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/10101813162D

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MG-516

>  <Target> (1,008)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (1,008)
free base

>  <URL> (1,008)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

>  <CAS Number> (1,008)
1123837-84-2

$$$$
NS-187.cdx
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TPX-0005.cdx
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>  <Target> (1,010)
 ALK,ALK(L1196M),ALK(G1202R),Src 

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free base

>  <URL> (1,010)
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no

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csChFnd80/10101813162D

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N/A

>  <Target> (1,018)
PI3K¦Á 

>  <Form> (1,018)
Free base

>  <URL> (1,018)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

>  <CAS Number> (1,018)
1268454-23-4

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/10101813162D

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C2HCl2NaO2

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Sodium dichloroacetate (DCA)

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>  <Synonyms> (1,019)
bichloroacetic acid, BCA

>  <Target> (1,019)
PDK

>  <Form> (1,019)
sodium salt

>  <URL> (1,019)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

>  <CAS Number> (1,019)
2156-56-1

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/10101813162D

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Belizatinib (TSR-011)

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S8511

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N/A

>  <Target> (1,020)
ALK,TRK

>  <Form> (1,020)
free base

>  <URL> (1,020)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

>  <CAS Number> (1,020)
1357920-84-3

$$$$
HJC0152.cdx
csChFnd80/10101813162D

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>  <Formula> (1,021)
C15H14Cl3N3O4

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HJC0152

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S8561

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N/A

>  <Target> (1,021)
STAT3

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hydrochloride

>  <URL> (1,021)
http://www.selleckchem.com/products/hjc0152.html

>  <CAS Number> (1,021)
1420290-99-8

$$$$
BGB-283.cdx
csChFnd80/10101813162D

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>  <Formula> (1,022)
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Beigene-283

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RAF,EGFR

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free base

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http://www.selleckchem.com/products/bgb-283-bgb283.html

>  <CAS Number> (1,022)
1446090-79-4

$$$$
LW 6.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,031)
3275

>  <Formula> (1,031)
C29H36O6

>  <MolWeight> (1,031)
480.59254

>  <Item Name> (1,031)
Demethylzeylasteral (T-96)

>  <Catalog Number> (1,031)
S3608

>  <Synonyms> (1,031)
N/A

>  <Target> (1,031)
UGT1A6,UGT2B7

>  <Form> (1,031)
free base

>  <URL> (1,031)
http://www.selleckchem.com/products/demethylzeylasteral-t-96.html

>  <CAS Number> (1,031)
107316-88-1

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,032)
3277

>  <Formula> (1,032)
C37H42Cl2N2O6

>  <MolWeight> (1,032)
681.64518

>  <Item Name> (1,032)
Berbamine (dihydrochloride)

>  <Catalog Number> (1,032)
S3609

>  <Synonyms> (1,032)
N/A

>  <Target> (1,032)
NF-¦ÊB,bcr/abl

>  <Form> (1,032)
dihydrochloride

>  <URL> (1,032)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

>  <CAS Number> (1,032)
6078-17-7

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,033)
3278

>  <Formula> (1,033)
C18H16O8

>  <MolWeight> (1,033)
360.31484

>  <Item Name> (1,033)
Rosmarinic acid

>  <Catalog Number> (1,033)
S3612

>  <Synonyms> (1,033)
Rosemary acid

>  <Target> (1,033)
IKK ¦Â

>  <Form> (1,033)
free base

>  <URL> (1,033)
http://www.selleckchem.com/products/rosmarinic-acid.html

>  <CAS Number> (1,033)
20283-92-5

$$$$
S3606 Fangchinoline.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,034)
3284

>  <Formula> (1,034)
C37H40N2O6

>  <MolWeight> (1,034)
608.7233

>  <Item Name> (1,034)
Fangchinoline

>  <Catalog Number> (1,034)
S3606

>  <Synonyms> (1,034)
N/A

>  <Target> (1,034)
HIV-1

>  <Form> (1,034)
free base

>  <URL> (1,034)
http://www.selleckchem.com/products/fangchinoline.html

>  <CAS Number> (1,034)
33889-68-8

$$$$
S3616 Asiaticoside.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,035)
3297

>  <Formula> (1,035)
C48H78O19

>  <MolWeight> (1,035)
959.12152

>  <Item Name> (1,035)
Asiaticoside

>  <Catalog Number> (1,035)
S3616

>  <Synonyms> (1,035)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (1,035)
Others

>  <Form> (1,035)
free base

>  <URL> (1,035)
http://www.selleckchem.com/products/asiaticoside.html

>  <CAS Number> (1,035)
16830-15-2

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,036)
3304

>  <Formula> (1,036)
C37H40N2O6

>  <MolWeight> (1,036)
608.7233

>  <Item Name> (1,036)
(+)-Fangchinoline

>  <Catalog Number> (1,036)
S3611

>  <Synonyms> (1,036)
(+)-Limacine, Tetrandrine B, Hanfangichin B

>  <Target> (1,036)
Others

>  <Form> (1,036)
free base

>  <URL> (1,036)
http://www.selleckchem.com/products/s-s-fangchinoline.html

>  <CAS Number> (1,036)
436-77-1

$$$$
S3613 Scoparone.cdx
csChFnd80/10101813162D

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    4.8555    2.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6474    2.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4298    0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2683    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,037)
3305

>  <Formula> (1,037)
C11H10O4

>  <MolWeight> (1,037)
206.1947

>  <Item Name> (1,037)
Scoparone

>  <Catalog Number> (1,037)
S3613

>  <Synonyms> (1,037)
6,7-dimethoxycoumarin, Aesculetin dimethyl ether, 6,7-Dimethylesculetin, Escoparone

>  <Target> (1,037)
Others

>  <Form> (1,037)
free base

>  <URL> (1,037)
http://www.selleckchem.com/products/scoparone.html

>  <CAS Number> (1,037)
120-08-1

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/10101813162D

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    0.3705    5.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    4.6475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4441    4.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 19  1  6  0  0  0
M  END
>  <Mol_ID> (1,038)
3306

>  <Formula> (1,038)
C15H18O2

>  <MolWeight> (1,038)
230.30222

>  <Item Name> (1,038)
Dehydrocostus Lactone

>  <Catalog Number> (1,038)
S3615

>  <Synonyms> (1,038)
N/A

>  <Target> (1,038)
 IKK¦Â

>  <Form> (1,038)
free base

>  <URL> (1,038)
http://www.selleckchem.com/products/dehydrocostus-lactone.html

>  <CAS Number> (1,038)
477-43-0

$$$$
S3610 Cordycepin.cdx
csChFnd80/10101813162D

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    2.8869    5.3861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156    5.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4576    4.0535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0612    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156    7.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4293    5.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1289    3.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2832    2.9247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8813    7.6513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4267    7.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6450    5.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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 12 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,039)
3310

>  <Formula> (1,039)
C10H13N5O3

>  <MolWeight> (1,039)
251.24192

>  <Item Name> (1,039)
Cordycepin

>  <Catalog Number> (1,039)
S3610

>  <Synonyms> (1,039)
N/A

>  <Target> (1,039)
Others

>  <Form> (1,039)
free base

>  <URL> (1,039)
http://www.selleckchem.com/products/cordycepin.html

>  <CAS Number> (1,039)
73-03-0

$$$$
S3626 Sesamol.cdx
csChFnd80/10101813162D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6251    0.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9535    0.2497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9693    2.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7843    1.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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  1  0  0  0  0
  4  8  2  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,040)
3314

>  <Formula> (1,040)
C7H6O3

>  <MolWeight> (1,040)
138.12074

>  <Item Name> (1,040)
Sesamol

>  <Catalog Number> (1,040)
S3626

>  <Synonyms> (1,040)
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol

>  <Target> (1,040)
Others

>  <Form> (1,040)
free base

>  <URL> (1,040)
http://www.selleckchem.com/products/sesamol.html

>  <CAS Number> (1,040)
533-31-3

$$$$
S3677 Cinnamic acid.cdx
csChFnd80/10101813162D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4223    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281    0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0588    2.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0029    0.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2709    2.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0588    4.1964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,041)
3331

>  <Formula> (1,041)
C9H8O2

>  <MolWeight> (1,041)
148.15862

>  <Item Name> (1,041)
Cinnamic acid

>  <Catalog Number> (1,041)
S3677

>  <Synonyms> (1,041)
trans-Cinnamic acid, Phenylacrylic acid, Cinnamylic acid, 3-Phenylacrylic acid|(E)-Cinnamic acid

>  <Target> (1,041)
Others

>  <Form> (1,041)
free base

>  <URL> (1,041)
http://www.selleckchem.com/products/cinnamic-acid.html

>  <CAS Number> (1,041)
140-10-3

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/10101813162D

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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,042)
3332

>  <Formula> (1,042)
C11H8O3

>  <MolWeight> (1,042)
188.17942

>  <Item Name> (1,042)
2-Methoxy-1,4-naphthoquinone

>  <Catalog Number> (1,042)
S3661

>  <Synonyms> (1,042)
N/A

>  <Target> (1,042)
PKC

>  <Form> (1,042)
free base

>  <URL> (1,042)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

>  <CAS Number> (1,042)
2348-82-5

$$$$
S3668 Thymopentin.cdx
csChFnd80/10101813162D

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    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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3334

>  <Formula> (1,043)
C30H49N9O9

>  <MolWeight> (1,043)
679.76496

>  <Item Name> (1,043)
Thymopentin

>  <Catalog Number> (1,043)
S3668

>  <Synonyms> (1,043)
TP5

>  <Target> (1,043)
Immunology & Inflammation related

>  <Form> (1,043)
free base

>  <URL> (1,043)
http://www.selleckchem.com/products/thymopentin.html

>  <CAS Number> (1,043)
69558-55-0

$$$$
S3665 Trolox.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,044)
3339

>  <Formula> (1,044)
C14H18O4

>  <MolWeight> (1,044)
250.29032

>  <Item Name> (1,044)
Trolox

>  <Catalog Number> (1,044)
S3665

>  <Synonyms> (1,044)
N/A

>  <Target> (1,044)
Vitamin

>  <Form> (1,044)
free base

>  <URL> (1,044)
http://www.selleckchem.com/products/trolox.html

>  <CAS Number> (1,044)
53188-07-1

$$$$
S3725 ELR-510444.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,045)
3351

>  <Formula> (1,045)
C19H16N2O2S2

>  <MolWeight> (1,045)
368.47254

>  <Item Name> (1,045)
ELR-510444

>  <Catalog Number> (1,045)
S3725

>  <Synonyms> (1,045)
N/A

>  <Target> (1,045)
microtubule

>  <Form> (1,045)
free base

>  <URL> (1,045)
http://www.selleckchem.com/products/elr-510444.html

>  <CAS Number> (1,045)
1233948-35-0

$$$$
S3731 Tipiracil hydrochloride.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,046)
3352

>  <Formula> (1,046)
C9H12Cl2N4O2

>  <MolWeight> (1,046)
279.12318

>  <Item Name> (1,046)
Tipiracil hydrochloride

>  <Catalog Number> (1,046)
S3731

>  <Synonyms> (1,046)
MA-1 hydrochloride

>  <Target> (1,046)
thymidine phosphorylase

>  <Form> (1,046)
hydrochloride

>  <URL> (1,046)
http://www.selleckchem.com/products/tipiracil-hydrochloride.html

>  <CAS Number> (1,046)
183204-72-0

$$$$
S3658 O6-Benzylguanine.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,047)
3368

>  <Formula> (1,047)
C12H11N5O

>  <MolWeight> (1,047)
241.24864

>  <Item Name> (1,047)
O6-Benzylguanine

>  <Catalog Number> (1,047)
S3658

>  <Synonyms> (1,047)
O6-BG

>  <Target> (1,047)
O6-alkylguanine DNA alkyltransferase

>  <Form> (1,047)
free base

>  <URL> (1,047)
http://www.selleckchem.com/products/o6-benzylguanine.html

>  <CAS Number> (1,047)
19916-73-5

$$$$
S3695 Cystamine dihydrochloride.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,048)
3373

>  <Formula> (1,048)
C4H14Cl2N2S2

>  <MolWeight> (1,048)
225.20336

>  <Item Name> (1,048)
Cystamine dihydrochloride

>  <Catalog Number> (1,048)
S3695

>  <Synonyms> (1,048)
Decarboxycystine dihydrochloride, 2-Aminoethyl disulfide dihydrochloride

>  <Target> (1,048)
Antifection

>  <Form> (1,048)
dihydrochloride

>  <URL> (1,048)
http://www.selleckchem.com/products/cystamine-dihydrochloride.html

>  <CAS Number> (1,048)
56-17-7

$$$$
S3669 Carmustine.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,049)
3377

>  <Formula> (1,049)
C5H9Cl2N3O2

>  <MolWeight> (1,049)
214.04986

>  <Item Name> (1,049)
Carmustine

>  <Catalog Number> (1,049)
S3669

>  <Synonyms> (1,049)
bis-chloroethylnitrosourea, BCNU, BiCNU|

>  <Target> (1,049)
Others

>  <Form> (1,049)
free base

>  <URL> (1,049)
http://www.selleckchem.com/products/carmustine.html

>  <CAS Number> (1,049)
154-93-8

$$$$
Rotenone.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,050)
3427

>  <Formula> (1,050)
C23H22O6

>  <MolWeight> (1,050)
394.41718

>  <Item Name> (1,050)
Rotenone (Barbasco)

>  <Catalog Number> (1,050)
S2348

>  <Synonyms> (1,050)
Barbasco, Dactinol, Paraderil, Rotenon, Rotocide

>  <Target> (1,050)
Antifection

>  <Form> (1,050)
free base

>  <URL> (1,050)
http://www.selleckchem.com/products/rotenone-barbasco.html

>  <CAS Number> (1,050)
83-79-4

$$$$
Colchicine.cdx
csChFnd80/10101813162D

 30 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,051)
3435

>  <Formula> (1,051)
C22H25NO6

>  <MolWeight> (1,051)
399.437

>  <Item Name> (1,051)
Colchicine

>  <Catalog Number> (1,051)
S2284

>  <Synonyms> (1,051)
Colchineos, Colchisol, Colcin

>  <Target> (1,051)
Microtubule Associated inhibitor 

>  <Form> (1,051)
free base

>  <URL> (1,051)
http://www.selleckchem.com/products/colchicine.html

>  <CAS Number> (1,051)
64-86-8

$$$$
Cinchonine.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,052)
3437

>  <Formula> (1,052)
C19H22N2O

>  <MolWeight> (1,052)
294.39078

>  <Catalog Number> (1,052)
S2283

>  <Synonyms> (1,052)
N/A

>  <Target> (1,052)
Others

>  <Form> (1,052)
free base

>  <URL> (1,052)
http://www.selleckchem.com/products/cinchonine.html

>  <CAS Number> (1,052)
118-10-5

$$$$
S3666 Ilaprazole.cdx
csChFnd80/10101813162D

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>  <Formula> (1,053)
C19H18N4O2S

>  <MolWeight> (1,053)
366.43682

>  <Item Name> (1,053)
Ilaprazole

>  <Catalog Number> (1,053)
S3666

>  <Synonyms> (1,053)
IY-81149

>  <Target> (1,053)
Proton pump,TOPK 

>  <Form> (1,053)
free base

>  <URL> (1,053)
http://www.selleckchem.com/products/ilaprazole.html

>  <CAS Number> (1,053)
172152-36-2

$$$$
S4759 p-Coumaric Acid.cdx
csChFnd80/10101813162D

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>  <Formula> (1,054)
C9H8O3

>  <MolWeight> (1,054)
164.15802

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p-Coumaric Acid

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S4759

>  <Synonyms> (1,054)
4-Hydroxycinnamic acid, P-Hydroxycinnamic acid, 4-Coumaric acid, Trans-p-Coumaric acid

>  <Target> (1,054)
Antifection

>  <Form> (1,054)
free base

>  <URL> (1,054)
http://www.selleckchem.com/products/p-coumaric-acid.html

>  <CAS Number> (1,054)
501-98-4

$$$$
S3614 Lupeol.cdx
csChFnd80/10101813162D

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3449

>  <Formula> (1,055)
C30H50O

>  <MolWeight> (1,055)
426.7174

>  <Item Name> (1,055)
Lupeol

>  <Catalog Number> (1,055)
S3614

>  <Synonyms> (1,055)
(3¦Â,13¦Î)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol

>  <Target> (1,055)
Others

>  <Form> (1,055)
free base

>  <URL> (1,055)
http://www.selleckchem.com/products/lupeol.html

>  <CAS Number> (1,055)
545-47-1

$$$$
C188-9.cdx
csChFnd80/10101813162D

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3452

>  <Formula> (1,056)
C27H21NO5S

>  <MolWeight> (1,056)
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>  <Item Name> (1,056)
C188-9

>  <Catalog Number> (1,056)
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>  <Synonyms> (1,056)
N/A

>  <Target> (1,056)
STAT3

>  <Form> (1,056)
free base

>  <URL> (1,056)
http://www.selleckchem.com/products/c188-9.html

>  <CAS Number> (1,056)
432001-19-9

$$$$
S4758 Crocin.cdx
csChFnd80/10101813162D

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Crocin

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Alpha-Crocin, Gardenia Yellow

>  <Target> (1,057)
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free base

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

>  <CAS Number> (1,057)
42553-65-1

$$$$
S3938 Bisdemethoxycurcumin.cdx
csChFnd80/10101813162D

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>  <Formula> (1,058)
C19H16O4

>  <MolWeight> (1,058)
308.32794

>  <Item Name> (1,058)
Bisdemethoxycurcumin

>  <Catalog Number> (1,058)
S3938

>  <Synonyms> (1,058)
N/A

>  <Target> (1,058)
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>  <Form> (1,058)
free base

>  <URL> (1,058)
http://www.selleckchem.com/products/bisdemethoxycurcumin.html

>  <CAS Number> (1,058)
33171-05-0

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,059)
3467

>  <Formula> (1,059)
C16H16O4

>  <MolWeight> (1,059)
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3'-Hydroxypterostilbene

>  <Catalog Number> (1,059)
S3940

>  <Synonyms> (1,059)
3'-HPT

>  <Target> (1,059)
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>  <Form> (1,059)
free base

>  <URL> (1,059)
http://www.selleckchem.com/products/3-hydroxypterostilbene.html

>  <CAS Number> (1,059)
475231-21-1

$$$$
S3941 Pinocembrin.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,060)
3468

>  <Formula> (1,060)
C15H12O4

>  <MolWeight> (1,060)
256.25338

>  <Item Name> (1,060)
Pinocembrin

>  <Catalog Number> (1,060)
S3941

>  <Synonyms> (1,060)
Pinocembrin

>  <Target> (1,060)
Antifection

>  <Form> (1,060)
free base

>  <URL> (1,060)
http://www.selleckchem.com/products/pinocembrin.html

>  <CAS Number> (1,060)
480-39-7

$$$$
S3942 Cardamonin.cdx
csChFnd80/10101813162D

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3469

>  <Formula> (1,061)
C16H14O4

>  <MolWeight> (1,061)
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>  <Item Name> (1,061)
Cardamoni

>  <Catalog Number> (1,061)
S3867

>  <Synonyms> (1,061)
Alpinetin chalcone, cardamomin

>  <Target> (1,061)
NF-¦ÊB,Calcium Channel

>  <Form> (1,061)
free base

>  <CAS Number> (1,061)
 19309-14-9

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,062)
3472

>  <Formula> (1,062)
C18H22O4

>  <MolWeight> (1,062)
302.36488

>  <Item Name> (1,062)
Nordihydroguaiaretic acid

>  <Catalog Number> (1,062)
S3984

>  <Synonyms> (1,062)
N/A

>  <Target> (1,062)
lipoxygenase

>  <Form> (1,062)
free base

>  <URL> (1,062)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

>  <CAS Number> (1,062)
500-38-9

$$$$
S3814 Tubeimoside I.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,063)
3495

>  <Formula> (1,063)
C63H98O29

>  <MolWeight> (1,063)
1319.43482

>  <Item Name> (1,063)
Tubeimoside I

>  <Catalog Number> (1,063)
S3814

>  <Synonyms> (1,063)
Lobatoside H

>  <Target> (1,063)
Others

>  <Form> (1,063)
free base

>  <URL> (1,063)
http://www.selleckchem.com/products/tubeimoside-i.html

>  <CAS Number> (1,063)
102040-03-9

$$$$
S3822 Schisandrin A.cdx
csChFnd80/10101813162D

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AdipoR2

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free base

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http://www.selleckchem.com/products/schisandrin-a.html

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61281-38-7

$$$$
S3825 Glycitin.cdx
csChFnd80/10101813162D

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>  <Item Name> (1,065)
Glycitin

>  <Catalog Number> (1,065)
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>  <Synonyms> (1,065)
Glycitein-7-¦Â-O-glucoside

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free base

>  <URL> (1,065)
http://www.selleckchem.com/products/glycitin.html

>  <CAS Number> (1,065)
40246-10-4

$$$$
S3829 Isoalantolactone.cdx
csChFnd80/10101813162D

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>  <Formula> (1,066)
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>  <MolWeight> (1,066)
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>  <Item Name> (1,066)
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>  <Synonyms> (1,066)
N/A

>  <Target> (1,066)
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>  <URL> (1,066)
http://www.selleckchem.com/products/isoalantolactone.html

>  <CAS Number> (1,066)
470-17-7

$$$$
S3835 Loganin.cdx
csChFnd80/10101813162D

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Loganoside

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free base

>  <URL> (1,067)
http://www.selleckchem.com/products/loganin.html

>  <CAS Number> (1,067)
18524-94-2

$$$$
S3836 6-Gingerol.cdx
csChFnd80/10101813162D

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>  <Formula> (1,068)
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>  <MolWeight> (1,068)
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free base

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23513-14-6

$$$$
S3840 Baohuoside I.cdx
csChFnd80/10101813162D

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>  <Formula> (1,069)
C27H30O10

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>  <Item Name> (1,069)
Baohuoside I

>  <Catalog Number> (1,069)
S3840

>  <Synonyms> (1,069)
Icariside II

>  <Target> (1,069)
ROS

>  <URL> (1,069)
http://www.selleckchem.com/products/baohuoside-i.html

>  <CAS Number> (1,069)
113558-15-9

$$$$
S3769 Palmatine.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,070)
3523

>  <Formula> (1,070)
C21H22NO4+

>  <MolWeight> (1,070)
352.40368

>  <Item Name> (1,070)
Palmatine

>  <Catalog Number> (1,070)
S3769

>  <Synonyms> (1,070)
Berbericinine, Burasaine

>  <Target> (1,070)
AChE,BChE 

>  <Form> (1,070)
free base

>  <URL> (1,070)
http://www.selleckchem.com/products/palmatine.html

>  <CAS Number> (1,070)
3486-67-7

$$$$
ONC212.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,071)
3524

>  <Formula> (1,071)
C24H23F3N4O

>  <MolWeight> (1,071)
440.4608296

>  <Item Name> (1,071)
ONC212

>  <Catalog Number> (1,071)
S8673

>  <Synonyms> (1,071)
N/A

>  <Target> (1,071)
Others

>  <Form> (1,071)
free base

>  <URL> (1,071)
http://www.selleckchem.com/products/onc212.html

>  <CAS Number> (1,071)
1807861-48-8

$$$$
S3759 Norcantharidin.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,072)
3532

>  <Formula> (1,072)
C8H8O4

>  <MolWeight> (1,072)
168.14672

>  <Item Name> (1,072)
Norcantharidin

>  <Catalog Number> (1,072)
S3759

>  <Synonyms> (1,072)
Endothall anhydride

>  <Target> (1,072)
c-Met,EGFR

>  <Form> (1,072)
free base

>  <URL> (1,072)
http://www.selleckchem.com/products/norcantharidin.html

>  <CAS Number> (1,072)
29745-04-8

$$$$
S3758 Sinomenine hydrochloride.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,073)
3534

>  <Formula> (1,073)
C19H24ClNO4

>  <MolWeight> (1,073)
365.85116

>  <Item Name> (1,073)
Sinomenine hydrochloride

>  <Catalog Number> (1,073)
S3758

>  <Synonyms> (1,073)
Cucoline hydrochloride, Kukoline hydrochloride, Sabianine A hydrochloride

>  <Target> (1,073)
Immunology & Inflammation

>  <Form> (1,073)
hydrochloride

>  <URL> (1,073)
http://www.selleckchem.com/products/sinomenine-hydrochloride.html

>  <CAS Number> (1,073)
6080-33-7

$$$$
S3779 cis-Anethol.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,074)
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>  <Formula> (1,074)
C10H12O

>  <MolWeight> (1,074)
148.20168

>  <Item Name> (1,074)
cis-Anethole

>  <Catalog Number> (1,074)
S3779

>  <Synonyms> (1,074)
(Z)-Anethole, Cis-p-Propenylanisole, Cis-p-Anethole

>  <Target> (1,074)
Others

>  <Form> (1,074)
free base

>  <URL> (1,074)
http://www.selleckchem.com/products/cis-anethole.html

>  <CAS Number> (1,074)
104-46-1

$$$$
S3784 Obacunone.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,075)
3542

>  <Formula> (1,075)
C26H30O7

>  <MolWeight> (1,075)
454.5122

>  <Item Name> (1,075)
Obacunone

>  <Catalog Number> (1,075)
S3784

>  <Synonyms> (1,075)
N/A

>  <Target> (1,075)
Nrf2,Aromatase

>  <Form> (1,075)
free base

>  <URL> (1,075)
http://www.selleckchem.com/products/obacunone.html

>  <CAS Number> (1,075)
751-03-1

$$$$
S3911 Veratramine.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,076)
3546

>  <Formula> (1,076)
C27H39NO2

>  <MolWeight> (1,076)
409.60406

>  <Item Name> (1,076)
Veratramine

>  <Catalog Number> (1,076)
S3911

>  <Synonyms> (1,076)
NSC 17821, NSC 23880

>  <Target> (1,076)
Sodium Channel

>  <Form> (1,076)
free base

>  <URL> (1,076)
http://www.selleckchem.com/products/veratramine.html

>  <CAS Number> (1,076)
60-70-8

$$$$
S3912 Cephalotaxine.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,077)
3547

>  <Formula> (1,077)
C18H21NO4

>  <MolWeight> (1,077)
315.36364

>  <Item Name> (1,077)
Cephalotaxine

>  <Catalog Number> (1,077)
S3912

>  <Synonyms> (1,077)
N/A

>  <Target> (1,077)
Others

>  <Form> (1,077)
free base

>  <URL> (1,077)
http://www.selleckchem.com/products/cephalotaxine.html

>  <CAS Number> (1,077)
24316-19-6

$$$$
S3930 Liquiritin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,078)
3550

>  <Formula> (1,078)
C21H22O9

>  <MolWeight> (1,078)
418.39398

>  <Item Name> (1,078)
Liquiritin

>  <Catalog Number> (1,078)
S3930

>  <Synonyms> (1,078)
Liquiritoside, Liquiritigenin-4'-O-glucoside

>  <Target> (1,078)
Others

>  <Form> (1,078)
free base

>  <URL> (1,078)
http://www.selleckchem.com/products/liquiritin.html

>  <CAS Number> (1,078)
551-15-5

$$$$
S3853 Perillyl alcohol.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,079)
3558

>  <Formula> (1,079)
C10H16O

>  <MolWeight> (1,079)
152.23344

>  <Item Name> (1,079)
Perillyl alcohol

>  <Catalog Number> (1,079)
S3853

>  <Synonyms> (1,079)
Perilla alcohol, Isocarveol

>  <Target> (1,079)
Others

>  <Form> (1,079)
free base

>  <URL> (1,079)
http://www.selleckchem.com/products/perillyl-alcohol.html

>  <CAS Number> (1,079)
536-59-4

$$$$
S3871 Muscone.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,080)
3560

>  <Formula> (1,080)
C16H30O

>  <MolWeight> (1,080)
238.4088

>  <Item Name> (1,080)
Muscone

>  <Catalog Number> (1,080)
S3871

>  <Synonyms> (1,080)
3-Methylcyclopentadecanone, Methylexaltone

>  <Target> (1,080)
Immunology & Inflammation

>  <Form> (1,080)
free base

>  <URL> (1,080)
http://www.selleckchem.com/products/muscone.html

>  <CAS Number> (1,080)
541-91-3

$$$$
S3846 Eupatilin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,081)
3566

>  <Formula> (1,081)
C18H16O7

>  <MolWeight> (1,081)
344.31544

>  <Item Name> (1,081)
Eupatilin

>  <Catalog Number> (1,081)
S3846

>  <Synonyms> (1,081)
NSC 122413

>  <Target> (1,081)
Others

>  <Form> (1,081)
free base

>  <URL> (1,081)
http://www.selleckchem.com/products/eupatilin.html

>  <CAS Number> (1,081)
22368-21-4

$$$$
S3812 Monocrotaline.cdx
csChFnd80/10101813162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,082)
3577

>  <Formula> (1,082)
C16H23NO6

>  <MolWeight> (1,082)
325.35692

>  <Item Name> (1,082)
Monocrotaline

>  <Catalog Number> (1,082)
S3812

>  <Synonyms> (1,082)
Crotaline

>  <Target> (1,082)
Others

>  <Form> (1,082)
free base

>  <URL> (1,082)
http://www.selleckchem.com/products/monocrotaline.html

>  <CAS Number> (1,082)
315-22-0

$$$$
S3888 3,4`,5-Trimethoxy-trans-stilbene.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,083)
3581

>  <Formula> (1,083)
C17H18O3

>  <MolWeight> (1,083)
270.32302

>  <Item Name> (1,083)
3,4',5-Trimethoxy-trans-stilbene

>  <Catalog Number> (1,083)
S3888

>  <Synonyms> (1,083)
MR-3

>  <Target> (1,083)
Others

>  <Form> (1,083)
free base

>  <URL> (1,083)
http://www.selleckchem.com/products/3-4-5-trimethoxy-trans-stilbene.html

>  <CAS Number> (1,083)
22255-22-7

$$$$
S3874 Curcumenol.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,084)
3588

>  <Formula> (1,084)
C15H22O2

>  <MolWeight> (1,084)
234.33398

>  <Item Name> (1,084)
Curcumenol

>  <Catalog Number> (1,084)
S3874

>  <Synonyms> (1,084)
N/A

>  <Target> (1,084)
NF-¦ÊB

>  <Form> (1,084)
free base

>  <URL> (1,084)
http://www.selleckchem.com/products/curcumenol.html

>  <CAS Number> (1,084)
19431-84-6

$$$$
S3875 Alpinetin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,085)
3589

>  <Formula> (1,085)
C16H14O4

>  <MolWeight> (1,085)
270.27996

>  <Item Name> (1,085)
Alpinetin

>  <Catalog Number> (1,085)
S3875

>  <Synonyms> (1,085)
N/A

>  <Target> (1,085)
Others

>  <Form> (1,085)
free base

>  <URL> (1,085)
http://www.selleckchem.com/products/alpinetin.html

>  <CAS Number> (1,085)
36052-37-6

$$$$
S3802 Trigonelline Hydrochloride.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,086)
3597

>  <Formula> (1,086)
C7H8ClNO2

>  <MolWeight> (1,086)
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>  <Item Name> (1,086)
Trigonelline Hydrochloride

>  <Catalog Number> (1,086)
S3802

>  <Synonyms> (1,086)
Nicotinic acid N-methylbetaine Hydrochloride, Coffearine Hydrochloride, Coffearine Hydrochloride

>  <Target> (1,086)
Others

>  <Form> (1,086)
chloride

>  <URL> (1,086)
http://www.selleckchem.com/products/trigonelline-hydrochloride.html

>  <CAS Number> (1,086)
6138-41-6

$$$$
S3915 Gracillin.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,087)
3606

>  <Formula> (1,087)
C45H72O17

>  <MolWeight> (1,087)
885.04298

>  <Item Name> (1,087)
Gracillin

>  <Catalog Number> (1,087)
S3915

>  <Synonyms> (1,087)
N/A

>  <Target> (1,087)
Others

>  <Form> (1,087)
free base

>  <URL> (1,087)
http://www.selleckchem.com/products/gracillin.html

>  <CAS Number> (1,087)
19083-00-2

$$$$
S3916 Macranthoidin B.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,088)
3607

>  <Formula> (1,088)
C65H106O32

>  <MolWeight> (1,088)
1399.51794

>  <Item Name> (1,088)
Macranthoidin B

>  <Catalog Number> (1,088)
S3916

>  <Synonyms> (1,088)
 Macranthoiside I

>  <Target> (1,088)
Others

>  <Form> (1,088)
free base

>  <URL> (1,088)
http://www.selleckchem.com/products/macranthoidin-b.html

>  <CAS Number> (1,088)
136849-88-2

$$$$
S3813 Bakuchiol.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,089)
3609

>  <Formula> (1,089)
C18H24O

>  <MolWeight> (1,089)
256.38256

>  <Item Name> (1,089)
Bakuchiol

>  <Catalog Number> (1,089)
S3813

>  <Synonyms> (1,089)
(S)-(+)-Bakuchiol

>  <Target> (1,089)
Immunology & Inflammation related

>  <Form> (1,089)
free base

>  <URL> (1,089)
http://www.selleckchem.com/products/bakuchiol.html

>  <CAS Number> (1,089)
10309-37-2

$$$$
S3790 Methyl gallate.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,090)
3618

>  <Formula> (1,090)
C8H8O5

>  <MolWeight> (1,090)
184.14612

>  <Item Name> (1,090)
Methyl gallate

>  <Catalog Number> (1,090)
S3790

>  <Synonyms> (1,090)
Methylgallate, Gallic acid methyl ester, Gallicin

>  <Target> (1,090)
Immunology & Inflammation related

>  <Form> (1,090)
free base

>  <URL> (1,090)
http://www.selleckchem.com/products/methyl-gallate.html

>  <CAS Number> (1,090)
99-24-1

$$$$
S3921 Lathyrol.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,091)
3630

>  <Formula> (1,091)
C20H30O4

>  <MolWeight> (1,091)
334.4498

>  <Item Name> (1,091)
Lathyrol

>  <Catalog Number> (1,091)
S3921

>  <Synonyms> (1,091)
N/A

>  <Target> (1,091)
Others

>  <Form> (1,091)
free base

>  <URL> (1,091)
http://www.selleckchem.com/products/lathyrol.html

>  <CAS Number> (1,091)
34420-19-4

$$$$
S4754 Betulin.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,092)
3635

>  <Formula> (1,092)
C30H50O2

>  <MolWeight> (1,092)
442.7168

>  <Item Name> (1,092)
Betulin

>  <Catalog Number> (1,092)
S4754

>  <Synonyms> (1,092)
betulinol, betuline, betulinic alcohol

>  <Target> (1,092)
Others

>  <Form> (1,092)
free base

>  <URL> (1,092)
http://www.selleckchem.com/products/betulin.html

>  <CAS Number> (1,092)
473-98-3

$$$$
S3926 Forsythin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,093)
3642

>  <Formula> (1,093)
C27H34O11

>  <MolWeight> (1,093)
534.55226

>  <Item Name> (1,093)
Forsythin

>  <Catalog Number> (1,093)
S3926

>  <Synonyms> (1,093)
Phillyrin

>  <Target> (1,093)
Others

>  <Form> (1,093)
free base

>  <URL> (1,093)
http://www.selleckchem.com/products/forsythin.html

>  <CAS Number> (1,093)
487-41-2

$$$$
S3927 Swertiamarin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,094)
3643

>  <Formula> (1,094)
C16H22O10

>  <MolWeight> (1,094)
374.33988

>  <Item Name> (1,094)
Swertiamarin

>  <Catalog Number> (1,094)
S3927

>  <Synonyms> (1,094)
Swertiamarin

>  <Target> (1,094)
Others

>  <Form> (1,094)
free base

>  <URL> (1,094)
http://www.selleckchem.com/products/swertiamarin.html

>  <CAS Number> (1,094)
17388-39-5

$$$$
S3928 Baccatin ¢ó.cdx
csChFnd80/10101813162D

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M  END
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C31H38O11

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>  <Item Name> (1,095)
Baccatin ¢ó

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S3928

>  <Synonyms> (1,095)
N/A

>  <Target> (1,095)
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>  <Form> (1,095)
free base

>  <URL> (1,095)
http://www.selleckchem.com/products/Baccatin-iii.html

>  <CAS Number> (1,095)
27548-93-2

$$$$
S3908 4'-Demethylpodophyllotoxin.cdx
csChFnd80/10101813162D

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>  <Formula> (1,096)
C21H20O8

>  <MolWeight> (1,096)
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>  <Item Name> (1,096)
4'-Demethylpodophyllotoxin

>  <Catalog Number> (1,096)
S3908

>  <Synonyms> (1,096)
N/A

>  <Target> (1,096)
Others

>  <Form> (1,096)
free base

>  <URL> (1,096)
http://www.selleckchem.com/products/4-demethylpodophyllotoxin.html

>  <CAS Number> (1,096)
40505-27-9

$$$$
S3923 Ginsenoside Rg1.cdx
csChFnd80/10101813162D

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>  <Formula> (1,097)
C42H72O14

>  <MolWeight> (1,097)
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>  <Item Name> (1,097)
Ginsenoside Rg1

>  <Catalog Number> (1,097)
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>  <Synonyms> (1,097)
Ginsenoside A2, Panaxoside A, Panaxoside Rg1, Sanchinoside C1, Sanchinoside Rg1

>  <Target> (1,097)
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>  <Form> (1,097)
free base

>  <URL> (1,097)
http://www.selleckchem.com/products/ginsenoside-rg1.html

>  <CAS Number> (1,097)
22427-39-0

$$$$
4'-Demethylepipodophyllotoxin.cdx
csChFnd80/10101813162D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5793    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    5.5927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0041    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0041    7.6927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7917    8.3927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3356    5.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1585    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2123    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667    4.5332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    8.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    5.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  9 14  1  6  0  0  0
  7 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 11 26  2  0  0  0  0
  1 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  2  1  0  0  0  0
 10 30  1  1  0  0  0
  8 31  1  1  0  0  0
M  END
>  <Mol_ID> (1,098)
3659

>  <Formula> (1,098)
C21H20O8

>  <MolWeight> (1,098)
400.3787

>  <Item Name> (1,098)
4'-Demethylepipodophyllotoxin

>  <Catalog Number> (1,098)
S2254

>  <Synonyms> (1,098)
DMEP

>  <Target> (1,098)
Microtubule Associated

>  <Form> (1,098)
free base

>  <URL> (1,098)
http://www.selleckchem.com/products/4-Demethylepipodophyllotoxin.html

>  <CAS Number> (1,098)
6559-91-7

$$$$
S3869 Methyl protocatechuate.cdx
csChFnd80/10101813162D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6226    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    2.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    2.7944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0450    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    4.1972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0203    2.7972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2636    2.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,099)
3667

>  <Formula> (1,099)
C8H8O4

>  <MolWeight> (1,099)
168.14672

>  <Item Name> (1,099)
Methyl protocatechuate

>  <Catalog Number> (1,099)
S3869

>  <Synonyms> (1,099)
Methyl 3,4-dihydroxybenzoate; 3,4-Dihydroxybenzoic acid methyl ester

>  <Target> (1,099)
Others

>  <Form> (1,099)
free base

>  <URL> (1,099)
http://www.selleckchem.com/products/methyl-protocatechuate.html

>  <CAS Number> (1,099)
2150-43-8

$$$$
S3850 Glucosamine sulfate.cdx
csChFnd80/10101813162D

 17 15  0  0  0  0  0  0  0  0999 V2000
    3.9139    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3139    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5139    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.1413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.1413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    8.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.7413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  6  0  0  0
  7 10  1  0  0  0  0
  7 11  1  6  0  0  0
  8 12  1  0  0  0  0
  8 13  1  6  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,100)
3670

>  <Formula> (1,100)
C6H15NO9S

>  <MolWeight> (1,100)
277.2496

>  <Item Name> (1,100)
Glucosamine sulfate

>  <Catalog Number> (1,100)
S3850

>  <Synonyms> (1,100)
D-Glucosaminesulfate, D-Glucosamine sulphate

>  <Target> (1,100)
Others

>  <Form> (1,100)
sulfate

>  <URL> (1,100)
http://www.selleckchem.com/products/glucosamine-sulfate.html

>  <CAS Number> (1,100)
29031-19-4

$$$$
S3895 Sophoridine.cdx
csChFnd80/10101813162D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.4421    2.1222    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6631    2.8239    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2211    2.8239    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4421    0.6812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6631    4.2239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8842    2.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    4.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6631    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    4.9256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    4.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    0.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    6.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    6.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6631    7.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    7.0066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421    3.3227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    1.6030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    1.5616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    5.4863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 19  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  1  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 22  1  1  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,101)
3680

>  <Formula> (1,101)
C15H24N2O

>  <MolWeight> (1,101)
248.36386

>  <Item Name> (1,101)
Sophoridine

>  <Catalog Number> (1,101)
S3895

>  <Synonyms> (1,101)
5-Epidihydrosophocarpine, Dihydro-5-episophocarpine

>  <Target> (1,101)
Others

>  <Form> (1,101)
free base

>  <URL> (1,101)
http://www.selleckchem.com/products/sophoridine.html

>  <CAS Number> (1,101)
6882-68-4

$$$$
S3897 (-)-Arctigenin.cdx
csChFnd80/10101813162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.3586    2.1648    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9538    2.1536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1716    3.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8030    0.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1222    3.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320    0.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5637    3.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6741    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1366    0.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7325    3.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3785    4.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500    1.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1730    1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9011    4.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7736    4.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5453    1.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7801    1.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5073    4.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3645    2.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5817    5.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9478    2.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2220    0.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7570    2.7657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9744    5.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5581    2.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8323    0.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  6  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 19  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,102)
3682

>  <Formula> (1,102)
C21H24O6

>  <MolWeight> (1,102)
372.41166

>  <Item Name> (1,102)
(-)-Arctigenin

>  <Catalog Number> (1,102)
S3897

>  <Synonyms> (1,102)
N/A

>  <Target> (1,102)
Others

>  <Form> (1,102)
free base

>  <URL> (1,102)
http://www.selleckchem.com/products/neg-rotation-arctigenin.html

>  <CAS Number> (1,102)
7770-78-7

$$$$
S3898 Hydroxy Camptothecine.cdx
csChFnd80/10101813162D

 27 31  0  0  0  0  0  0  0  0999 V2000
    9.4336    2.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2459    4.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0378    1.7141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0787    3.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6639    5.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6272    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4145    1.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6854    1.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1416    0.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    4.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,103)
3683

>  <Formula> (1,103)
C20H16N2O5

>  <MolWeight> (1,103)
364.35144

>  <Item Name> (1,103)
Hydroxy Camptothecine

>  <Catalog Number> (1,103)
S3898

>  <Synonyms> (1,103)
10-Hydroxycamptothecin, Hydroxycamptothecine

>  <Target> (1,103)
DNA topoisomerase I

>  <Form> (1,103)
free base

>  <URL> (1,103)
http://www.selleckchem.com/products/hydroxy-camptothecine.html

>  <CAS Number> (1,103)
64439-81-2

$$$$
S3900 Betulonic acid.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,104)
3685

>  <Formula> (1,104)
C30H46O3

>  <MolWeight> (1,104)
454.68444

>  <Item Name> (1,104)
Betulonic acid

>  <Catalog Number> (1,104)
S3900

>  <Synonyms> (1,104)
Liquidambaric acid

>  <Target> (1,104)
Others

>  <Form> (1,104)
free base

>  <URL> (1,104)
http://www.selleckchem.com/products/betulonic-acid.html

>  <CAS Number> (1,104)
4481-62-3

$$$$
S3904 Isoimperatorin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,105)
3688

>  <Formula> (1,105)
C16H14O4

>  <MolWeight> (1,105)
270.27996

>  <Item Name> (1,105)
Isoimperatorin

>  <Catalog Number> (1,105)
S3904

>  <Synonyms> (1,105)
N/A

>  <Target> (1,105)
Others

>  <Form> (1,105)
free base

>  <URL> (1,105)
http://www.selleckchem.com/products/isoimperatorin.html

>  <CAS Number> (1,105)
482-45-1

$$$$
S3876 Indigo.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,106)
3700

>  <Formula> (1,106)
C16H10N2O2

>  <MolWeight> (1,106)
262.2628

>  <Item Name> (1,106)
Indigo

>  <Catalog Number> (1,106)
S3876

>  <Synonyms> (1,106)
Indigotin

>  <Target> (1,106)
Others

>  <Form> (1,106)
free base

>  <URL> (1,106)
http://www.selleckchem.com/products/indigo.html

>  <CAS Number> (1,106)
482-89-3

$$$$
S3818 Tectoridin.cdx
csChFnd80/10101813162D

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Shekanin

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free base

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611-40-5

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csChFnd80/10101813162D

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free base

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http://www.selleckchem.com/products/beta-thujaplicin.html

>  <CAS Number> (1,108)
499-44-5

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csChFnd80/10101813162D

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>  <Formula> (1,109)
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>  <MolWeight> (1,109)
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>  <Item Name> (1,109)
Protodioscin

>  <Catalog Number> (1,109)
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>  <Synonyms> (1,109)
Furostanol I

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Androgen Receptor

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free base

>  <URL> (1,109)
http://www.selleckchem.com/products/protodioscin.html

>  <CAS Number> (1,109)
55056-80-9

$$$$
GO-203.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,110)
3792

>  <Formula> (1,110)
C89H171F3N52O21S2

>  <MolWeight> (1,110)
2426.7710496

>  <Item Name> (1,110)
GO-203

>  <Catalog Number> (1,110)
S8674

>  <Synonyms> (1,110)
N/A

>  <Target> (1,110)
MUC-1C

>  <Form> (1,110)
trifluoroacetate

>  <URL> (1,110)
http://www.selleckchem.com/products/go-203.html

>  <CAS Number> (1,110)
1222186-26-6

$$$$
S3967 Flavone.cdx
csChFnd80/10101813162D

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    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2598    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4832    2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4759    0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,111)
3794

>  <Formula> (1,111)
C15H10O2

>  <MolWeight> (1,111)
222.2387

>  <Item Name> (1,111)
Flavone

>  <Catalog Number> (1,111)
S3967

>  <Synonyms> (1,111)
 2-Phenylchromone, 2-Phenyl-4-chromone, 2-Phenyl-4-benzopyron

>  <Target> (1,111)
Others

>  <Form> (1,111)
free base

>  <URL> (1,111)
http://www.selleckchem.com/products/flavone.html

>  <CAS Number> (1,111)
525-82-6

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/10101813162D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6380    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6409    2.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9686    3.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9733    1.6727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7939    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985    5.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7672    5.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044    1.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7062    4.5258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1971    6.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 11  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,112)
3814

>  <Formula> (1,112)
C9H10N4O4

>  <MolWeight> (1,112)
238.2001

>  <Item Name> (1,112)
Theophylline-7-acetic acid

>  <Catalog Number> (1,112)
S3988

>  <Synonyms> (1,112)
Acefylline, acetyloxytheophylline, Carboxymethyltheophylline

>  <Target> (1,112)
adenosine receptor

>  <Form> (1,112)
free base

>  <URL> (1,112)
http://www.selleckchem.com/products/theophylline-7-acetic.html

>  <CAS Number> (1,112)
652-37-9

$$$$
S5059 Pixantrone Maleate.cdx
csChFnd80/10101813162D

 40 40  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.0832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.6832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.0832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    7.3832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2927    4.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5943    5.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1943    5.6805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2960    6.8902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3943    5.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6960    6.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7943    5.6730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2927    0.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5943    1.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1943    1.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2960    2.4267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3943    1.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6960    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7943    1.2096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  7  1  1  0  0  0  0
  4  2  1  0  0  0  0
  8  2  1  0  0  0  0
  5  3  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
  4  6  1  0  0  0  0
  6  5  2  0  0  0  0
 14  5  1  0  0  0  0
 17  6  1  0  0  0  0
 13  7  2  0  0  0  0
 16  7  1  0  0  0  0
 15  8  1  0  0  0  0
  8 12  2  0  0  0  0
 11 14  2  0  0  0  0
 20 11  1  0  0  0  0
 12 13  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 20 17  2  0  0  0  0
 18 24  1  0  0  0  0
 19 23  1  0  0  0  0
 24 21  1  0  0  0  0
 23 22  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 26 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 34 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,113)
3863

>  <Formula> (1,113)
C25H27N5O10

>  <MolWeight> (1,113)
557.50938

>  <Item Name> (1,113)
Pixantrone Maleate

>  <Catalog Number> (1,113)
S5059

>  <Synonyms> (1,113)
BBR-2778

>  <Target> (1,113)
Topoisomerase

>  <Form> (1,113)
dimaleate

>  <URL> (1,113)
http://selleckchem.com/products/pixantrone-maleate.html

>  <CAS Number> (1,113)
144675-97-8

$$$$
S5202 Quinocetone.cdx
csChFnd80/10101813162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6327    4.2006    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6327    1.3902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8434    3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218    3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327    5.5909    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6327    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2652    3.4979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4759    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    5.5909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  2  0  0  0  0
  5  1  1  0  0  0  0
  8  1  1  0  0  0  0
  2  4  2  0  0  0  0
  9  2  1  0  0  0  0
  2  6  1  0  0  0  0
  4  3  1  0  0  0  0
  7  3  1  0  0  0  0
 13  4  1  0  0  0  0
  6  5  2  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 10  7  1  0  0  0  0
 12  7  2  0  0  0  0
 11 10  2  0  0  0  0
 14 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
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 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 19 20  1  0  0  0  0
 23 21  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,114)
3878

>  <Formula> (1,114)
C18H14N2O3

>  <MolWeight> (1,114)
306.31536

>  <Item Name> (1,114)
Quinocetone

>  <Catalog Number> (1,114)
S5202

>  <Synonyms> (1,114)
N/A

>  <Target> (1,114)
Anti-infection

>  <Form> (1,114)
free base

>  <URL> (1,114)
http://selleckchem.com/products/quinocetone.html

>  <CAS Number> (1,114)
81810-66-4

$$$$
S5209 Enoxacin Sesquihydrate.cdx
csChFnd80/10101813162D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.0541    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 20 22  1  0  0  0  0
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A   23
?1.5H2O?
M  END
>  <Mol_ID> (1,115)
3881

>  <Formula> (1,115)
C15H17FN4O3R

>  <MolWeight> (1,115)
320.3188832

>  <Item Name> (1,115)
Enoxacin Sesquihydrate

>  <Catalog Number> (1,115)
S5209

>  <Synonyms> (1,115)
Enoxacin hydrate

>  <Target> (1,115)
Anti-infection

>  <Form> (1,115)
sesquihydrate

>  <URL> (1,115)
http://selleckchem.com/products/enoxacin-sesquihydrate.html

>  <CAS Number> (1,115)
84294-96-2

$$$$
S5211 4-Aminosalicylic acid.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,116)
3883

>  <Formula> (1,116)
C7H7NO3

>  <MolWeight> (1,116)
153.13538

>  <Item Name> (1,116)
4-Aminosalicylic acid

>  <Catalog Number> (1,116)
S5211

>  <Synonyms> (1,116)
para-aminosalicylic acid, Aminosalicylic acid, 4-aminosalicylate

>  <Target> (1,116)
Anti-infection

>  <Form> (1,116)
free base

>  <URL> (1,116)
http://selleckchem.com/products/4-aminosalicylic-acid.html

>  <CAS Number> (1,116)
65-49-6

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,117)
3885

>  <Formula> (1,117)
C26H23F4N9O

>  <MolWeight> (1,117)
553.5141328

>  <Item Name> (1,117)
Itacitinib (INCB39110)

>  <Catalog Number> (1,117)
S7812

>  <Synonyms> (1,117)
N/A

>  <Target> (1,117)
JAK

>  <Form> (1,117)
free base

>  <URL> (1,117)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

>  <CAS Number> (1,117)
1334298-90-6

$$$$
GDC-0810.cdx
csChFnd80/10101813162D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,118)
3886

>  <Formula> (1,118)
C26H20ClFN2O2

>  <MolWeight> (1,118)
446.9006032

>  <Item Name> (1,118)
Brilanestrant (GDC-0810, ARN-810)

>  <Catalog Number> (1,118)
S7855

>  <Synonyms> (1,118)
N/A

>  <Target> (1,118)
Estrogen/progestogen Receptor

>  <Form> (1,118)
free base

>  <URL> (1,118)
http://selleckchem.com/products/brilanestrant-gdc-0810-arn-810.html

>  <CAS Number> (1,118)
1365888-06-7

$$$$
S4836 Nilutamide.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,119)
3925

>  <Formula> (1,119)
C12H10F3N3O4

>  <MolWeight> (1,119)
317.2207096

>  <Item Name> (1,119)
Nilutamide

>  <Catalog Number> (1,119)
S4836

>  <Synonyms> (1,119)
RU23908

>  <Target> (1,119)
Androgen Receptor

>  <URL> (1,119)
http://selleckchem.com/products/nilutamide.html

>  <CAS Number> (1,119)
63612-50-0

$$$$
S4832 Tolmetin.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,120)
3981

>  <Formula> (1,120)
C15H15NO3

>  <MolWeight> (1,120)
257.2845

>  <Item Name> (1,120)
Tolmetin

>  <Catalog Number> (1,120)
S4832

>  <Synonyms> (1,120)
Tolectin

>  <Target> (1,120)
Immunology & Inflammation related

>  <Form> (1,120)
free base

>  <URL> (1,120)
http://selleckchem.com/products/tolmetin.html

>  <CAS Number> (1,120)
26171-23-3

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,121)
4030

>  <Formula> (1,121)
C25H36Cl2N2O3

>  <MolWeight> (1,121)
483.47094

>  <Item Name> (1,121)
Tilorone dihydrochloride

>  <Catalog Number> (1,121)
S5020

>  <Synonyms> (1,121)
N/A

>  <Target> (1,121)
Anti-infection

>  <Form> (1,121)
dihydrochloride 

>  <URL> (1,121)
http://selleckchem.com/products/tilorone-dihydrochloride.html

>  <CAS Number> (1,121)
27591-69-1

$$$$
QUTENZA (capsaicin).cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,122)
4033

>  <Formula> (1,122)
C18H27NO3

>  <MolWeight> (1,122)
305.41188

>  <Item Name> (1,122)
Capsaicin

>  <Catalog Number> (1,122)
S1990

>  <Synonyms> (1,122)
Qutenza, Vanilloid

>  <Target> (1,122)
Others

>  <URL> (1,122)
http://www.selleckchem.com/products/Capsaicin(Qutenza).html

>  <CAS Number> (1,122)
404-86-4

$$$$
Sodium valproate.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,123)
4052

>  <Formula> (1,123)
C8H15NaO2

>  <MolWeight> (1,123)
166.19327

>  <Item Name> (1,123)
Valproic acid sodium salt (Sodium valproate)

>  <Catalog Number> (1,123)
S1168

>  <Synonyms> (1,123)
N/A 

>  <Target> (1,123)
GABA Receptor, HDAC

>  <URL> (1,123)
http://www.selleckchem.com/products/Sodium-valproate.html

>  <CAS Number> (1,123)
1069-66-5, 99-66-1 (FREE BASE)

$$$$
S5232 Alectinib hydrochloride.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,124)
4060

>  <Formula> (1,124)
C30H35ClN4O2

>  <MolWeight> (1,124)
519.0775

>  <Item Name> (1,124)
Alectinib hydrochloride

>  <Catalog Number> (1,124)
S5232

>  <Synonyms> (1,124)
AF802 hydrochloride

>  <Target> (1,124)
ALK

>  <Form> (1,124)
hydrochloride 

>  <URL> (1,124)
http://selleckchem.com/products/alectinib-hydrochloride.html

>  <CAS Number> (1,124)
1256589-74-8

$$$$
S5306 Forchlorfenuron.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,125)
4063

>  <Formula> (1,125)
C12H10ClN3O

>  <MolWeight> (1,125)
247.6803

>  <Item Name> (1,125)
 Forchlorfenuron

>  <Catalog Number> (1,125)
S5306

>  <Synonyms> (1,125)
N/A

>  <Target> (1,125)
Others

>  <Form> (1,125)
free base

>  <URL> (1,125)
http://selleckchem.com/products/forchlorfenuron.html

>  <CAS Number> (1,125)
68157-60-8

$$$$
S5315  PRT4165.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,126)
4104

>  <Formula> (1,126)
C15H9NO2

>  <MolWeight> (1,126)
235.23746

>  <Item Name> (1,126)
PRT4165

>  <Catalog Number> (1,126)
S5315

>  <Synonyms> (1,126)
N/A

>  <Target> (1,126)
E3 Ligase ,BMI-1

>  <Form> (1,126)
free base

>  <URL> (1,126)
http://selleckchem.com/products/prt4165.html

>  <CAS Number> (1,126)
31083-55-3

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,127)
4116

>  <Formula> (1,127)
C17H21N6O4P

>  <MolWeight> (1,127)
404.360201

>  <Item Name> (1,127)
Ruxolitinib Phosphate

>  <Catalog Number> (1,127)
S5243

>  <Synonyms> (1,127)
INCB018424, INC424

>  <Target> (1,127)
JAK

>  <Form> (1,127)
phosphate 

>  <URL> (1,127)
http://selleckchem.com/products/ruxolitinib-phosphate.html

>  <CAS Number> (1,127)
1092939-17-7

$$$$
S5314 HTHQ.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,128)
4123

>  <Formula> (1,128)
C15H24O2

>  <MolWeight> (1,128)
236.34986

>  <Item Name> (1,128)
HTHQ(1-O-Hexyl-2,3,5-trimethylhydroquinone)

>  <Catalog Number> (1,128)
S5314

>  <Synonyms> (1,128)
N/A

>  <Target> (1,128)
Others

>  <URL> (1,128)
http://selleckchem.com/products/hthq-1-o-hexyl-2-3-5-trimethylhydroquinone.html

>  <CAS Number> (1,128)
148081-72-5

$$$$
S5316 NU2058.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,129)
4124

>  <Formula> (1,129)
C12H17N5O

>  <MolWeight> (1,129)
247.29628

>  <Item Name> (1,129)
NU2058

>  <Catalog Number> (1,129)
S5316

>  <Synonyms> (1,129)
O(6)-Cyclohexylmethylguanine

>  <Target> (1,129)
CDK

>  <Form> (1,129)
free base

>  <URL> (1,129)
http://selleckchem.com/products/nu2058.html

>  <CAS Number> (1,129)
161058-83-9

$$$$
S5318 Acacetin.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,130)
4126

>  <Formula> (1,130)
C16H12O5

>  <MolWeight> (1,130)
284.26348

>  <Item Name> (1,130)
Acacetin

>  <Catalog Number> (1,130)
S5318

>  <Synonyms> (1,130)
Linarigenin, 5,7-dihydroxy-4'-methoxyflavone, 4'-Methoxyapigenin

>  <Target> (1,130)
Immunology & Inflammation related

>  <Form> (1,130)
free base

>  <URL> (1,130)
http://selleckchem.com/products/acacetin.html

>  <CAS Number> (1,130)
480-44-4

$$$$
S5233 Fenretinide.cdx
csChFnd80/10101813162D

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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,131)
4131

>  <Formula> (1,131)
C26H33NO2

>  <MolWeight> (1,131)
391.54572

>  <Item Name> (1,131)
Fenretinide

>  <Catalog Number> (1,131)
S5233

>  <Synonyms> (1,131)
4-hydroxy(phenyl)retinamide, 4-HPR, MK-4016

>  <Target> (1,131)
Others

>  <Form> (1,131)
free base

>  <URL> (1,131)
http://selleckchem.com/products/fenretinide.html

>  <CAS Number> (1,131)
65646-68-6

$$$$
S5271 Suloctidil.cdx
csChFnd80/10101813162D

 23 23  0  0  0  0  0  0  0  0999 V2000
    6.0640    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4897    2.1142    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2782    4.2147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6544    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9148    2.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  6  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  6  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,132)
4135

>  <Formula> (1,132)
C20H35NOS

>  <MolWeight> (1,132)
337.563

>  <Item Name> (1,132)
Suloctidil

>  <Catalog Number> (1,132)
S5271

>  <Synonyms> (1,132)
N/A

>  <Target> (1,132)
Others

>  <Form> (1,132)
free base

>  <URL> (1,132)
http://selleckchem.com/products/suloctidil.html

>  <CAS Number> (1,132)
54767-75-8

$$$$
S5286 Ramatroban.cdx
csChFnd80/10101813162D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.9247    5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9243    4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931    6.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1374    6.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5926    3.9301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1367    3.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7700    5.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0240    7.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3456    5.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1611    2.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3494    4.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3775    5.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6316    7.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4591    6.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9694    5.0722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8473    6.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4477    9.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5476    8.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8444    9.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5420   10.6207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  6  0  0  0
  9 11  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  2  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
 19 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,133)
4138

>  <Formula> (1,133)
C21H21FN2O4S

>  <MolWeight> (1,133)
416.4658432

>  <Item Name> (1,133)
Ramatroban

>  <Catalog Number> (1,133)
S5286

>  <Synonyms> (1,133)
BAY u 3405

>  <Target> (1,133)
Thrombin

>  <Form> (1,133)
free base

>  <URL> (1,133)
http://selleckchem.com/products/ramatroban.html

>  <CAS Number> (1,133)
116649-85-5

$$$$
S5492 Econazole.cdx
csChFnd80/10101813162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    3.7835    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4870    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4866    1.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    0.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1241    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 18  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,134)
4175

>  <Formula> (1,134)
C18H15Cl3N2O

>  <MolWeight> (1,134)
381.6835

>  <Item Name> (1,134)
Econazole

>  <Catalog Number> (1,134)
S5492

>  <Synonyms> (1,134)
N/A

>  <Target> (1,134)
Anti-infection

>  <Form> (1,134)
free base

>  <URL> (1,134)
http://selleckchem.com/products/econazole.html

>  <CAS Number> (1,134)
27220-47-9

$$$$
S5508 Dehydroepiandrosterone acetate.cdx
csChFnd80/10101813162D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.6368    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    0.7076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4228    0.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    2.1016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8458    0.0101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0559    0.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2725    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4888    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4885    2.1062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.0535    2.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8678    3.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0208    4.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4336    6.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4769    3.5177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 11  1  0  0  0  0
 21 22  1  0  0  0  0
 22  8  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24  1  1  0  0  0  0
 21 25  1  6  0  0  0
  1  2  1  0  0  0  0
 11 26  1  1  0  0  0
  2  3  1  1  0  0  0
 12 27  1  6  0  0  0
M  END
>  <Mol_ID> (1,135)
4179

>  <Formula> (1,135)
C21H30O3

>  <MolWeight> (1,135)
330.4611

>  <Item Name> (1,135)
Dehydroepiandrosterone acetate

>  <Catalog Number> (1,135)
S5508

>  <Synonyms> (1,135)
DHEA acetate, androstenolone acetate

>  <Target> (1,135)
Others

>  <Form> (1,135)
free base

>  <URL> (1,135)
http://selleckchem.com/products/dehydroepiandrosterone-acetate.html

>  <CAS Number> (1,135)
853-23-6

$$$$
Anlotinib (AL3818).cdx
csChFnd80/10101813162D

 32 34  0  0  0  0  0  0  0  0999 V2000
   11.4375    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4375    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6499    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8624    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8624    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6499    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0748    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2873    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2873    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0748    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (1,136)
C23H24Cl2FN3O3

>  <MolWeight> (1,136)
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>  <Item Name> (1,136)
Anlotinib (AL3818) dihydrochloride

>  <Catalog Number> (1,136)
S8726

>  <Synonyms> (1,136)
N/A

>  <Target> (1,136)
VEGFR

>  <Form> (1,136)
dihydrochloride 

>  <URL> (1,136)
http://selleckchem.com/products/anlotinib-al3818.html

>  <CAS Number> (1,136)
1360460-82-7

$$$$
S3805 Stevioside.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,137)
4197

>  <Formula> (1,137)
C38H60O18

>  <MolWeight> (1,137)
804.8722

>  <Item Name> (1,137)
Stevioside

>  <Catalog Number> (1,137)
S3805

>  <Synonyms> (1,137)
N/A

>  <Target> (1,137)
Others

>  <Form> (1,137)
free base

>  <URL> (1,137)
http://selleckchem.com/products/stevioside.html

>  <CAS Number> (1,137)
57817-89-7

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,138)
4216

>  <Formula> (1,138)
C24H24F3N5O5S3

>  <MolWeight> (1,138)
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>  <Item Name> (1,138)
Dabrafenib Mesylate

>  <Catalog Number> (1,138)
S5069

>  <Synonyms> (1,138)
GSK2118436 Mesylate

>  <Target> (1,138)
Raf

>  <Form> (1,138)
mesylate

>  <URL> (1,138)
http://selleckchem.com/products/dabrafenib-mesylate.html

>  <CAS Number> (1,138)
1195768-06-9

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/10101813162D

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   10.4936    9.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6947   11.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0440    3.3011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7 10  1  0  0  0  0
  2 13  2  0  0  0  0
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 16 17  2  0  0  0  0
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 15 20  2  0  0  0  0
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 22 27  2  0  0  0  0
 29 30  2  0  0  0  0
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 32 33  1  0  0  0  0
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 36 37  1  0  0  0  0
 32 37  1  0  0  0  0
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 31 32  1  0  0  0  0
 28 29  1  0  0  0  0
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 14 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,139)
4235

>  <Formula> (1,139)
C33H39N5O7S

>  <MolWeight> (1,139)
649.75706

>  <Item Name> (1,139)
Nintedanib Ethanesulfonate Salt

>  <Catalog Number> (1,139)
S5234

>  <Synonyms> (1,139)
Intedanib, BIBF 1120

>  <Target> (1,139)
VEGFR,FGFR,PDGFR

>  <Form> (1,139)
ethanesulfonate 

>  <URL> (1,139)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

>  <CAS Number> (1,139)
656247-18-6

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,140)
4237

>  <Formula> (1,140)
C29H31FN4O7

>  <MolWeight> (1,140)
566.5774432

>  <Item Name> (1,140)
Cediranib Maleate

>  <Catalog Number> (1,140)
S5242

>  <Synonyms> (1,140)
AZD-2171 maleate

>  <Target> (1,140)
VEGFR

>  <Form> (1,140)
maleate

>  <URL> (1,140)
http://selleckchem.com/products/cediranib-maleate.html

>  <CAS Number> (1,140)
 857036-77-2

$$$$
S5248 Apatinib.cdx
csChFnd80/10101813162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,141)
4238

>  <Formula> (1,141)
C24H23N5O

>  <MolWeight> (1,141)
397.47232

>  <Item Name> (1,141)
Apatinib

>  <Catalog Number> (1,141)
S5248

>  <Synonyms> (1,141)
YN968D1

>  <Target> (1,141)
VEGFR,c-RET

>  <Form> (1,141)
free base

>  <URL> (1,141)
http://selleckchem.com/products/apatinib.html

>  <CAS Number> (1,141)
811803-05-1

$$$$
S5364 DY131.cdx
csChFnd80/10101813162D

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  8 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,142)
4249

>  <Formula> (1,142)
C18H21N3O2

>  <MolWeight> (1,142)
311.37824

>  <Item Name> (1,142)
DY131

>  <Catalog Number> (1,142)
S5364

>  <Synonyms> (1,142)
N/A

>  <Target> (1,142)
Estrogen/progestogen Receptor

>  <Form> (1,142)
free base

>  <URL> (1,142)
http://selleckchem.com/products/dy131.html

>  <CAS Number> (1,142)
95167-41-2

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/10101813162D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,143)
4275

>  <Formula> (1,143)
C3H3BrO3

>  <MolWeight> (1,143)
166.95812

>  <Item Name> (1,143)
Bromopyruvic acid

>  <Catalog Number> (1,143)
S5426

>  <Synonyms> (1,143)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (1,143)
Others

>  <Form> (1,143)
free base

>  <URL> (1,143)
http://selleckchem.com/products/bromopyruvic-acid.html

>  <CAS Number> (1,143)
1113-59-3

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/10101813162D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.5219    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    2.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    2.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610    1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    2.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    3.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    3.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5219    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7698    2.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    1.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378    4.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9022    1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,144)
4294

>  <Formula> (1,144)
C11H12O4

>  <MolWeight> (1,144)
208.21058

>  <Item Name> (1,144)
Ferulic acid methyl ester

>  <Catalog Number> (1,144)
S5451

>  <Synonyms> (1,144)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (1,144)
Immunology & Inflammation related

>  <Form> (1,144)
free base

>  <URL> (1,144)
http://selleckchem.com/products/ferulic-acid-methylester.html

>  <CAS Number> (1,144)
2309-07-1

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/10101813162D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.7157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    3.6373    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.8157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    4.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    3.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9852    1.5035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1315    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3547    5.2983    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,145)
4295

>  <Formula> (1,145)
C20H14ClNO4

>  <MolWeight> (1,145)
367.78246

>  <Item Name> (1,145)
Sanguinarine chloride

>  <Catalog Number> (1,145)
S5452

>  <Synonyms> (1,145)
N/A

>  <Target> (1,145)
phosphatase

>  <Form> (1,145)
chloride 

>  <URL> (1,145)
http://selleckchem.com/products/sanguinarine-chloride.html

>  <CAS Number> (1,145)
5578-73-4

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/10101813162D

 60 67  0  0  0  0  0  0  0  0999 V2000
    1.2167    4.1933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2167    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4269    2.0966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    4.9015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8429    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2668    2.0888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4745    2.7842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4801    4.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    4.8862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0491    4.1881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6808    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1046    2.0888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1052    4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8871    4.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3178    4.1841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3070    2.7913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5011    2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7137    2.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5227    4.8751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7241    4.1635    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7523    6.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5316    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9537    6.2395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9338    4.8373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1318    4.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3568    4.8031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1711    6.9274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3735    6.1992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5985    6.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6319    8.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4295    9.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1937    8.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    4.8891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    6.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    2.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4269    0.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2651    0.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4626    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2931    1.3954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5115    3.4778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    3.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5613    4.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8851    1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3074    5.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7156    5.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7768    5.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1677    7.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2160    9.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6314    9.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
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 15 16  1  0  0  0  0
  1  2  1  0  0  0  0
  8  7  1  1  0  0  0
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 31 36  1  0  0  0  0
 32 33  1  0  0  0  0
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 35 36  1  0  0  0  0
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 13 37  1  1  0  0  0
 16 20  1  0  0  0  0
  6 38  1  1  0  0  0
 19 17  1  0  0  0  0
  2 39  1  1  0  0  0
 17 18  1  0  0  0  0
  1 40  1  6  0  0  0
 19 20  1  0  0  0  0
  4 41  1  6  0  0  0
  1  6  1  0  0  0  0
  3 42  1  6  0  0  0
  2  3  1  0  0  0  0
  9 43  1  6  0  0  0
  3  4  1  0  0  0  0
 10 44  1  6  0  0  0
  4  5  1  0  0  0  0
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 20 21  1  0  0  0  0
 28 47  1  6  0  0  0
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 30 48  1  6  0  0  0
 22 24  1  0  0  0  0
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 23 24  1  0  0  0  0
 16 50  1  1  0  0  0
  5  6  1  0  0  0  0
 19 51  1  1  0  0  0
  8 13  1  0  0  0  0
 24 52  1  1  0  0  0
  9 10  1  0  0  0  0
 27 53  1  1  0  0  0
 10 11  1  0  0  0  0
 32 54  1  1  0  0  0
 53 54  1  0  0  0  0
 23 26  1  0  0  0  0
 31 55  1  1  0  0  0
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 35 56  1  0  0  0  0
 27 25  1  0  0  0  0
 35 57  1  0  0  0  0
 25 26  2  0  0  0  0
 38 58  1  0  0  0  0
 27 28  1  0  0  0  0
 16 59  1  0  0  0  0
 11 12  1  0  0  0  0
 59 60  1  0  0  0  0
M  END
>  <Mol_ID> (1,146)
4297

>  <Formula> (1,146)
C42H68O13

>  <MolWeight> (1,146)
780.98152

>  <Item Name> (1,146)
Saikosaponin D

>  <Catalog Number> (1,146)
S5454

>  <Synonyms> (1,146)
N/A

>  <Target> (1,146)
ATPase

>  <Form> (1,146)
free base

>  <URL> (1,146)
http://selleckchem.com/products/saikosaponin-d.html

>  <CAS Number> (1,146)
20874-52-6

$$$$
S5544 D-Ribose.cdx
csChFnd80/10101813162D

 11 10  0  0  0  0  0  0  0  0999 V2000
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    2.4249    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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27113-22-0

$$$$
GW 5074.cdx
csChFnd80/10101813162D

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220904-83-6

$$$$
Isotretinoin.cdx
csChFnd80/10101813162D

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hydroxylase

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4759-48-2

$$$$
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csChFnd80/10101813162D

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42206-94-0

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/10101813162D

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>  <Formula> (1,152)
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>  <Item Name> (1,152)
Nilotinib hydrochloride

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>  <Synonyms> (1,152)
AMN-107 HCl

>  <Target> (1,152)
Bcr-Abl

>  <Form> (1,152)
hydrochloride 

>  <URL> (1,152)
http://selleckchem.com/products/nilotinib-hydrochloride.html

>  <CAS Number> (1,152)
923288-95-3

$$$$
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csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,153)
4413

>  <Formula> (1,153)
C22H23ClN4O7S

>  <MolWeight> (1,153)
522.95862

>  <Item Name> (1,153)
lenvatinib Mesylate

>  <Catalog Number> (1,153)
S5240

>  <Synonyms> (1,153)
N/A

>  <Target> (1,153)
VEGFR

>  <Form> (1,153)
Mesylate

>  <URL> (1,153)
http://selleckchem.com/products/lenvatinib-mesylate.html

>  <CAS Number> (1,153)
 857890-39-2

$$$$
S5358 Regadenoson.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,154)
4426

>  <Formula> (1,154)
C15H18N8O5

>  <MolWeight> (1,154)
390.35402

>  <Item Name> (1,154)
Regadenoson

>  <Catalog Number> (1,154)
S5358

>  <Synonyms> (1,154)
CVT-3146, Lexiscan

>  <Target> (1,154)
Adenosine Receptor

>  <Form> (1,154)
free base

>  <URL> (1,154)
http://selleckchem.com/products/regadenoson.html

>  <CAS Number> (1,154)
313348-27-5  

$$$$
S5373 Pseudolaric Acid B.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,155)
4430

>  <Formula> (1,155)
C23H28O8

>  <MolWeight> (1,155)
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>  <Item Name> (1,155)
Pseudolaric Acid B

>  <Catalog Number> (1,155)
S5373

>  <Synonyms> (1,155)
N/A

>  <Target> (1,155)
p38

>  <Form> (1,155)
S5369

>  <URL> (1,155)
http://selleckchem.com/products/.html

>  <CAS Number> (1,155)
82508-31-4 

$$$$
BMS-986205.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,156)
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C24H24ClFN2O

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IDO1

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free base

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1923833-60-6

$$$$
>  <Mol_ID> (1,157)
4442

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Enoxaparin sodium

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S5415

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free base

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679809-58-6

$$$$
S5466 Saikosaponin A.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,158)
4443

>  <Formula> (1,158)
C42H68O13

>  <MolWeight> (1,158)
780.98152

>  <Item Name> (1,158)
Saikosaponin A

>  <Catalog Number> (1,158)
S5466

>  <Synonyms> (1,158)
N/A

>  <Target> (1,158)
NF-¦ÊB

>  <Form> (1,158)
free base

>  <URL> (1,158)
http://selleckchem.com/products/.html

>  <CAS Number> (1,158)
20736-09-8

$$$$
S5651 Dexrazoxane.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,159)
4449

>  <Formula> (1,159)
C11H16N4O4

>  <MolWeight> (1,159)
268.26914

>  <Item Name> (1,159)
Dexrazoxane

>  <Catalog Number> (1,159)
S5651

>  <Synonyms> (1,159)
ICRF-187

>  <Target> (1,159)
Others

>  <Form> (1,159)
free base

>  <URL> (1,159)
http://selleckchem.com/products/dexrazoxane.html

>  <CAS Number> (1,159)
24584-09-6

$$$$
CCT245737.cdx
csChFnd80/10101813162D

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>  <Formula> (1,160)
C16H16F3N7O

>  <MolWeight> (1,160)
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>  <Item Name> (1,160)
CCT245737 

>  <Catalog Number> (1,160)
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>  <Synonyms> (1,160)
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>  <Target> (1,160)
Chk

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free base

>  <URL> (1,160)
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>  <CAS Number> (1,160)
1489389-18-5

$$$$
S5537 Tizanidine.cdx
csChFnd80/10101813162D

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51322-75-9

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csChFnd80/10101813162D

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1417997-93-3

$$$$
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csChFnd80/10101813162D

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Ethyl gallate

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S5550

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N/A

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NF-¦ÊB

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831-61-8

$$$$
SNS-314 Mesylate.cdx
csChFnd80/10101813162D

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N/A

>  <Target> (1,164)
Aurora Kinase

>  <Form> (1,164)
Mesylate

>  <URL> (1,164)
http://www.selleckchem.com/products/SNS-314.html

>  <CAS Number> (1,164)
1146618-41-8

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/10101813162D

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

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154-23-4

$$$$
S5418 Parecoxib Sodium.cdx
csChFnd80/10101813162D

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M  END
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C19H17N2NaO4S

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Parecoxib Sodium

>  <Catalog Number> (1,166)
S5418

>  <Target> (1,166)
calcium channel

>  <Form> (1,166)
free base

>  <URL> (1,166)
http://selleckchem.com/products/.html

>  <CAS Number> (1,166)
198470-85-8

$$$$
S5533 Tobramycin sulfate.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,167)
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>  <Formula> (1,167)
C36H84N10O38S5

>  <MolWeight> (1,167)
1425.42136

>  <Item Name> (1,167)
Tobramycin sulfate

>  <Catalog Number> (1,167)
S5533

>  <Form> (1,167)
free base

>  <CAS Number> (1,167)
79645-27-5

$$$$
S5592 Vitamin A.cdx
csChFnd80/10101813162D

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M  END
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>  <Formula> (1,168)
C20H30O

>  <MolWeight> (1,168)
286.4516

>  <Item Name> (1,168)
Vitamin A

>  <Catalog Number> (1,168)
S5592

>  <Target> (1,168)
Others

>  <Form> (1,168)
free base

>  <URL> (1,168)
http://selleckchem.com/products/.html

>  <CAS Number> (1,168)
68-26-8

$$$$
S5535 Moxifloxacin.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,169)
4933

>  <Formula> (1,169)
C21H24FN3O4

>  <MolWeight> (1,169)
401.4313632

>  <Item Name> (1,169)
 Moxifloxacin

>  <Catalog Number> (1,169)
S5535

>  <Form> (1,169)
free base

>  <CAS Number> (1,169)
151096-09-2

$$$$
S5392 Mepivacaine.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,170)
4946

>  <Formula> (1,170)
C15H22N2O

>  <MolWeight> (1,170)
246.34798

>  <Item Name> (1,170)
Mepivacaine

>  <Catalog Number> (1,170)
S5392

>  <Target> (1,170)
Sodium Channel

>  <Form> (1,170)
free base

>  <URL> (1,170)
http://selleckchem.com/products/.html

>  <CAS Number> (1,170)
96-88-8 

$$$$
S5703 Carvedilol Phosphate.cdx
csChFnd80/10101813162D

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A   36
?0.5H2O?
M  END
>  <Mol_ID> (1,171)
4953

>  <Formula> (1,171)
C24H29N2O8PR

>  <MolWeight> (1,171)
504.469421

>  <Item Name> (1,171)
Carvedilol Phosphate

>  <Catalog Number> (1,171)
S5703

>  <Target> (1,171)
Others

>  <Form> (1,171)
free base

>  <URL> (1,171)
http://selleckchem.com/products/.html

>  <CAS Number> (1,171)
610309-89-2 

$$$$
S5504 Ropivacaine.cdx
csChFnd80/10101813162D

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M  END
>  <Mol_ID> (1,172)
4992

>  <Formula> (1,172)
C17H26N2O

>  <MolWeight> (1,172)
274.40114

>  <Item Name> (1,172)
Ropivacaine

>  <Catalog Number> (1,172)
S5504

>  <Target> (1,172)
Potassium Channel

>  <URL> (1,172)
http://selleckchem.com/products/.html

>  <CAS Number> (1,172)
84057-95-4

$$$$
S5644 Ceftriaxone Sodium.cdx
csChFnd80/10101813162D

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free base

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74578-69-1

$$$$
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csChFnd80/10101813162D

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n
M  END
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free base

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

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9067-32-7

$$$$
S5067 Losartan.cdx
csChFnd80/10101813162D

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>  <Formula> (1,175)
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>  <MolWeight> (1,175)
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>  <Item Name> (1,175)
Losartan

>  <Catalog Number> (1,175)
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>  <Target> (1,175)
Angiotensin Receptor

>  <Form> (1,175)
free base

>  <URL> (1,175)
http://selleckchem.com/products/.html

>  <CAS Number> (1,175)
114798-26-4

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,176)
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>  <Formula> (1,176)
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>  <Item Name> (1,176)
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>  <Catalog Number> (1,176)
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>  <Synonyms> (1,176)
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>  <Target> (1,176)
Abl/Src

>  <Form> (1,176)
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>  <URL> (1,176)
http://selleckchem.com/products/.html

>  <CAS Number> (1,176)
854001-07-3

$$$$
S5657 Ertapenem sodium.cdx
csChFnd80/10101813162D

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5111

>  <Formula> (1,177)
C22H24N3NaO7S

>  <MolWeight> (1,177)
497.49663

>  <Item Name> (1,177)
Ertapenem sodium

>  <Catalog Number> (1,177)
S5657

>  <Synonyms> (1,177)
MK826

>  <Target> (1,177)
Anti-infection

>  <Form> (1,177)
sodium salt

>  <URL> (1,177)
http://selleckchem.com/products/ertapenem-sodium.html

>  <CAS Number> (1,177)
153773-82-1

$$$$
S5709 Norgestrel.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,178)
5116

>  <Formula> (1,178)
C21H28O2

>  <MolWeight> (1,178)
312.44582

>  <Item Name> (1,178)
Norgestrel

>  <Catalog Number> (1,178)
S5709

>  <Target> (1,178)
CDK

>  <Form> (1,178)
free base

>  <URL> (1,178)
http://selleckchem.com/products/abemaciclib.html

>  <CAS Number> (1,178)
6533-00-2 

$$$$
S5716 Abemaciclib.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,179)
5119

>  <Formula> (1,179)
C27H32F2N8

>  <MolWeight> (1,179)
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>  <Item Name> (1,179)
Abemaciclib

>  <Catalog Number> (1,179)
S5716

>  <Synonyms> (1,179)
LY2835219

>  <Target> (1,179)
CDK

>  <Form> (1,179)
free base

>  <URL> (1,179)
http://selleckchem.com/products/abemaciclib.html

>  <CAS Number> (1,179)
1231929-97-7 

$$$$
S5717 Acetohexamide.cdx
csChFnd80/10101813162D

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>  <Mol_ID> (1,180)
5120

>  <Formula> (1,180)
C15H20N2O4S

>  <MolWeight> (1,180)
324.3953

>  <Item Name> (1,180)
Acetohexamide

>  <Catalog Number> (1,180)
S5717

>  <Synonyms> (1,180)
N/A

>  <Target> (1,180)
Others

>  <Form> (1,180)
free base

>  <URL> (1,180)
http://selleckchem.com/products/acetohexamide.html

>  <CAS Number> (1,180)
968-81-0

$$$$
