Bosutinib (SKI-606).cdx
csChFnd80/06012110032D

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>  <Mol_ID> (1)
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Bosutinib (SKI-606)

>  <Synonyms> (1)
N/A 

>  <Target> (1)
Src

>  <Form> (1)
Free Base

>  <CAS> (1)
380843-75-4

>  <URL> (1)
http://www.selleckchem.com/products/Bosutinib.html

$$$$
Dasatinib.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (2)
12

>  <Formula> (2)
C22H26ClN7O2S

>  <MolWeight> (2)
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S1021

>  <Name> (2)
Dasatinib

>  <Synonyms> (2)
BMS-354825

>  <Target> (2)
Src, Bcr-Abl, c-Kit

>  <Form> (2)
Free Base

>  <CAS> (2)
302962-49-8

>  <URL> (2)
http://www.selleckchem.com/products/Dasatinib.html

$$$$
Imatinib Mesylate.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (3)
16

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C30H35N7O4S

>  <MolWeight> (3)
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>  <Cat> (3)
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>  <Name> (3)
Imatinib Mesylate (STI571)

>  <Synonyms> (3)
CGP-57148B, ST-1571 Mesylate

>  <Target> (3)
PDGFR, c-Kit, Bcr-Abl

>  <Form> (3)
Mesylate

>  <CAS> (3)
220127-57-1

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

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (4)
21

>  <Formula> (4)
C28H22F3N7O

>  <MolWeight> (4)
529.5157896

>  <Cat> (4)
S1033

>  <Name> (4)
Nilotinib (AMN-107)

>  <Synonyms> (4)
Tasigna 

>  <Target> (4)
Bcr-Abl

>  <Form> (4)
Free Base

>  <CAS> (4)
641571-10-0

>  <URL> (4)
http://www.selleckchem.com/products/Nilotinib.html

$$$$
1.cdx
csChFnd80/06012110032D

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 26  7  1  0  0  0  0
M  END
>  <Mol_ID> (5)
26

>  <Formula> (5)
C19H16N4O3

>  <MolWeight> (5)
348.35534

>  <Cat> (5)
S1038

>  <Name> (5)
PI-103

>  <Synonyms> (5)
N/A

>  <Target> (5)
DNA-PK, PI3K, mTOR

>  <Form> (5)
Free Base

>  <CAS> (5)
371935-74-9

>  <URL> (5)
http://www.selleckchem.com/products/PI-103.html

$$$$
RAPAMYCIN.cdx
csChFnd80/06012110032D

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (6)
27

>  <Formula> (6)
C51H79NO13

>  <MolWeight> (6)
914.17186

>  <Cat> (6)
S1039

>  <Name> (6)
Rapamycin (Sirolimus)

>  <Synonyms> (6)
N/A 

>  <Target> (6)
mTOR 

>  <Form> (6)
Free Base

>  <CAS> (6)
53123-88-9

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

$$$$
untitled.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (7)
32

>  <Formula> (7)
C23H28N8OS

>  <MolWeight> (7)
464.58642

>  <Cat> (7)
S1048

>  <Name> (7)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (7)
N/A 

>  <Target> (7)
Aurora Kinase

>  <Form> (7)
Free Base

>  <CAS> (7)
639089-54-6

>  <URL> (7)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (8)
33

>  <Formula> (8)
C14H23Cl2N3O

>  <MolWeight> (8)
320.25792

>  <Cat> (8)
S1049

>  <Name> (8)
Y-27632 2HCl

>  <Synonyms> (8)
N/A

>  <Target> (8)
ROCK

>  <Form> (8)
Dihydrochloride

>  <CAS> (8)
129830-38-2

>  <URL> (8)
http://www.selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (9)
34

>  <Formula> (9)
C19H20N4O2S2

>  <MolWeight> (9)
400.5177

>  <Cat> (9)
S1052

>  <Name> (9)
Elesclomol (STA-4783)

>  <Synonyms> (9)
STA-4783

>  <Target> (9)
HSP

>  <Form> (9)
Free Base

>  <CAS> (9)
488832-69-5

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

$$$$
untitled.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (10)
36

>  <Formula> (10)
C32H29N5O2

>  <MolWeight> (10)
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>  <Cat> (10)
S1055

>  <Name> (10)
Enzastaurin (LY317615)

>  <Synonyms> (10)
N/A 

>  <Target> (10)
PKC 

>  <Form> (10)
Free Base

>  <CAS> (10)
170364-57-5

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

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (11)
40

>  <Formula> (11)
C28H30N6OS

>  <MolWeight> (11)
498.6424

>  <Cat> (11)
S1064

>  <Name> (11)
Masitinib (AB1010)

>  <Synonyms> (11)
N/A 

>  <Target> (11)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (11)
Free Base

>  <CAS> (11)
790299-79-5

>  <URL> (11)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

$$$$
untitled.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (12)
41

>  <Formula> (12)
C23H27N7O3S2

>  <MolWeight> (12)
513.63558

>  <Cat> (12)
S1065

>  <Name> (12)
Pictilisib (GDC-0941)

>  <Synonyms> (12)
RG7321

>  <Target> (12)
PI3K 

>  <Form> (12)
Free Base

>  <CAS> (12)
957054-30-7

>  <URL> (12)
http://www.selleckchem.com/products/GDC-0941.html

$$$$
NVP-AUY922 .cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (13)
43

>  <Formula> (13)
C26H31N3O5

>  <MolWeight> (13)
465.54144

>  <Cat> (13)
S1069

>  <Name> (13)
Luminespib (AUY-922, NVP-AUY922)

>  <Synonyms> (13)
VER-52296

>  <Target> (13)
HSP

>  <Form> (13)
Free Base

>  <CAS> (13)
747412-49-3

>  <URL> (13)
http://www.selleckchem.com/products/NVP-AUY922.html

$$$$
1.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (14)
44

>  <Formula> (14)
C19H21F2N7O2

>  <MolWeight> (14)
417.4125464

>  <Cat> (14)
S1072

>  <Name> (14)
ZSTK474

>  <Synonyms> (14)
N/A

>  <Target> (14)
PI3K 

>  <Form> (14)
Free Base

>  <CAS> (14)
475110-96-4

>  <URL> (14)
http://www.selleckchem.com/products/ZSTK474.html

$$$$
1.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (15)
45

>  <Formula> (15)
C19H12Cl2N2O2

>  <MolWeight> (15)
371.21678

>  <Cat> (15)
S1075

>  <Name> (15)
SB 216763

>  <Synonyms> (15)
N/A

>  <Target> (15)
GSK-3 

>  <Form> (15)
Free Base

>  <CAS> (15)
280744-09-4

>  <URL> (15)
http://www.selleckchem.com/products/SB-216763.html

$$$$

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>  <Mol_ID> (16)
48

>  <Formula> (16)
C25H23Cl2N5O

>  <MolWeight> (16)
480.38902

>  <Cat> (16)
S1078

>  <Name> (16)
MK-2206 dihydrochloride

>  <Synonyms> (16)
N/A

>  <Target> (16)
Akt

>  <Form> (16)
Dihydrochloride

>  <CAS> (16)
1032350-13-2

>  <URL> (16)
http://www.selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (17)
56

>  <Formula> (17)
C21H17NO3S2

>  <MolWeight> (17)
395.49458

>  <Cat> (17)
S1092

>  <Name> (17)
KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (17)
N/A

>  <Target> (17)
ATM 

>  <Form> (17)
Free Base

>  <CAS> (17)
587871-26-9

>  <URL> (17)
http://www.selleckchem.com/products/KU-55933.html

$$$$
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>  <Mol_ID> (18)
61

>  <Formula> (18)
C25H15ClF2N4O2

>  <MolWeight> (18)
476.8620064

>  <Cat> (18)
S1100

>  <Name> (18)
MLN8054

>  <Synonyms> (18)
N/A

>  <Target> (18)
Aurora Kinase

>  <Form> (18)
Free Base

>  <CAS> (18)
869363-13-3

>  <URL> (18)
http://www.selleckchem.com/products/MLN8054.html

$$$$
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>  <Synonyms> (19)
N/A

>  <Target> (19)
Aurora Kinase

>  <Form> (19)
Free Base

>  <CAS> (19)
331771-20-1

>  <URL> (19)
http://www.selleckchem.com/products/ZM-447439.html

$$$$
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>  <Synonyms> (20)
N/A

>  <Target> (20)
PI3K 

>  <Form> (20)
Free Base

>  <CAS> (20)
154447-36-6

>  <URL> (20)
http://www.selleckchem.com/products/LY294002.html

$$$$
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>  <Mol_ID> (21)
69

>  <Formula> (21)
C26H30N6O3

>  <MolWeight> (21)
474.5548

>  <Cat> (21)
S1107

>  <Name> (21)
Danusertib (PHA-739358)

>  <Synonyms> (21)
N/A 

>  <Target> (21)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (21)
Free Base

>  <CAS> (21)
827318-97-8

>  <URL> (21)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
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>  <Formula> (22)
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>  <Cat> (22)
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>  <Name> (22)
Everolimus (RAD001)

>  <Synonyms> (22)
Certican, Zortress, Afinitor

>  <Target> (22)
mTOR

>  <Form> (22)
Free Base

>  <CAS> (22)
159351-69-6

>  <URL> (22)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
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>  <Mol_ID> (23)
79

>  <Formula> (23)
C27H20ClFN4O4

>  <MolWeight> (23)
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S1133

>  <Name> (23)
MLN8237 (Alisertib)

>  <Synonyms> (23)
Alisertib

>  <Target> (23)
Aurora Kinase

>  <Form> (23)
Free Base

>  <CAS> (23)
1028486-01-2

>  <URL> (23)
http://www.selleckchem.com/products/MLN8237.html

$$$$
AT9283.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (24)
81

>  <Formula> (24)
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>  <MolWeight> (24)
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AT9283

>  <Synonyms> (24)
N/A

>  <Target> (24)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (24)
Free Base

>  <CAS> (24)
896466-04-9

>  <URL> (24)
http://www.selleckchem.com/products/AT9283.html

$$$$
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>  <Mol_ID> (25)
84

>  <Formula> (25)
C31H43N3O8

>  <MolWeight> (25)
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>  <Cat> (25)
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>  <Name> (25)
17-AAG (Tanespimycin)

>  <Synonyms> (25)
N/A 

>  <Target> (25)
HSP

>  <Form> (25)
Free Base

>  <CAS> (25)
75747-14-7

>  <URL> (25)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$
17-DMAG.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (26)
86

>  <Formula> (26)
C32H49ClN4O8

>  <MolWeight> (26)
653.20646

>  <Cat> (26)
S1142

>  <Name> (26)
17-DMAG HCl (Alvespimycin)

>  <Synonyms> (26)
NSC 707545 

>  <Target> (26)
HSP

>  <Form> (26)
Hydrochloride

>  <CAS> (26)
467214-21-7

>  <URL> (26)
http://www.selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

$$$$
Docetaxel.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (27)
91

>  <Formula> (27)
C43H53NO14

>  <MolWeight> (27)
807.87922

>  <Cat> (27)
S1148

>  <Name> (27)
Docetaxel (Taxotere)

>  <Synonyms> (27)
N/A 

>  <Target> (27)
Microtubule Associated

>  <Form> (27)
Free Base

>  <CAS> (27)
114977-28-5

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

$$$$
Paclitaxel.cdx
csChFnd80/06012110032D

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33069-62-4

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Free Base

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141430-65-1

>  <URL> (29)
http://www.selleckchem.com/products/ABT-751.html

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PI3K

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663619-89-4

>  <URL> (30)
http://www.selleckchem.com/products/TGX-221.html

$$$$
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HSP

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848695-25-0

>  <URL> (31)
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714272-27-2

>  <URL> (32)
http://www.selleckchem.com/products/NPI-2358.html

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>  <Mol_ID> (33)
109

>  <Formula> (33)
C14H11F3N2OS

>  <MolWeight> (33)
312.3101496

>  <Cat> (33)
S1180

>  <Name> (33)
XAV-939

>  <Synonyms> (33)
N/A 

>  <Target> (33)
Wnt/beta-catenin

>  <Form> (33)
Free Base

>  <CAS> (33)
284028-89-3

>  <URL> (33)
http://www.selleckchem.com/products/XAV-939.html

$$$$
ENMD-2076.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (34)
110

>  <Formula> (34)
C21H25N7

>  <MolWeight> (34)
375.4701

>  <Cat> (34)
S1181

>  <Name> (34)
ENMD-2076

>  <Synonyms> (34)
N/A 

>  <Target> (34)
Flt, Aurora Kinase, VEGFR

>  <Form> (34)
Tartaric Acid 

>  <CAS> (34)
934353-76-1

>  <URL> (34)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (35)
126

>  <Formula> (35)
C27H30ClNO11

>  <MolWeight> (35)
579.9802

>  <Cat> (35)
S1208

>  <Name> (35)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (35)
N/A 

>  <Target> (35)
Topoisomerase

>  <Form> (35)
Hydrochloride

>  <CAS> (35)
25316-40-9

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

$$$$
KU-0063794.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (36)
136

>  <Formula> (36)
C25H31N5O4

>  <MolWeight> (36)
465.54474

>  <Cat> (36)
S1226

>  <Name> (36)
Ku-0063794

>  <Synonyms> (36)
N/A

>  <Target> (36)
mTOR 

>  <Form> (36)
Free Base

>  <CAS> (36)
938440-64-3

>  <URL> (36)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (37)
140

>  <Formula> (37)
C19H26O3

>  <MolWeight> (37)
302.40794

>  <Cat> (37)
S1233

>  <Name> (37)
2-Methoxyestradiol

>  <Synonyms> (37)
2-ME2

>  <Target> (37)
HIF

>  <Form> (37)
Free Base

>  <CAS> (37)
362-07-2

>  <URL> (37)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
JNJ-7706621.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (38)
146

>  <Formula> (38)
C15H12F2N6O3S

>  <MolWeight> (38)
394.3559864

>  <Cat> (38)
S1249

>  <Name> (38)
JNJ-7706621

>  <Synonyms> (38)
N/A 

>  <Target> (38)
CDK, Aurora Kinase

>  <Form> (38)
Free Base

>  <CAS> (38)
443797-96-4

>  <URL> (38)
http://www.selleckchem.com/products/JNJ-7706621.html

$$$$
WYE-354.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (39)
158

>  <Formula> (39)
C24H29N7O5

>  <MolWeight> (39)
495.53096

>  <Cat> (39)
S1266

>  <Name> (39)
WYE-354

>  <Synonyms> (39)
N/A

>  <Target> (39)
mTOR 

>  <Form> (39)
Free Base

>  <CAS> (39)
1062169-56-5

>  <URL> (39)
http://www.selleckchem.com/products/WYE-354.html

$$$$
Epothilone A.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (40)
204

>  <Formula> (40)
C26H39NO6S

>  <MolWeight> (40)
493.65596

>  <Cat> (40)
S1297

>  <Name> (40)
Epothilone A

>  <Synonyms> (40)
N/A

>  <Target> (40)
Microtubule Associated

>  <Form> (40)
Free Base

>  <CAS> (40)
152044-53-6

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

$$$$
TG100-115.cdx
csChFnd80/06012110032D

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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
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  1 13  1  0  0  0  0
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 13 15  2  0  0  0  0
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 24 14  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (41)
227

>  <Formula> (41)
C18H14N6O2

>  <MolWeight> (41)
346.34276

>  <Cat> (41)
S1352

>  <Name> (41)
TG100-115

>  <Synonyms> (41)
N/A

>  <Target> (41)
PI3K

>  <Form> (41)
Free Base

>  <CAS> (41)
677297-51-7

>  <URL> (41)
http://www.selleckchem.com/products/TG100-115.html

$$$$
ON-01910.cdx
csChFnd80/06012110032D

 32 32  0  0  0  0  0  0  0  0999 V2000
    6.0664    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    7.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2167    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  2  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 25 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (42)
232

>  <Formula> (42)
C21H24NNaO8S

>  <MolWeight> (42)
473.47193

>  <Cat> (42)
S1362

>  <Name> (42)
Rigosertib (ON-01910)

>  <Synonyms> (42)
ON-01910

>  <Target> (42)
PLK

>  <Form> (42)
Sodium Salt

>  <CAS> (42)
1225497-78-8

>  <URL> (42)
http://www.selleckchem.com/products/ON-01910.html

$$$$
EpothiloneB.cdx
csChFnd80/06012110032D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 O   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
    7.2704    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4828    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    3.9326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    8.5156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    9.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    9.8471    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    8.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1573   10.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4929    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2454    0.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5143    5.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0324    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2706    4.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  1  0  0  0
  4  7  1  0  0  0  0
  7  8  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
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
  6  2  1  0  0  0  0
 10 18  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 21  2  0  0  0  0
 23 26  1  0  0  0  0
 14 27  2  0  0  0  0
  8 28  1  6  0  0  0
 11 29  1  1  0  0  0
 12 30  1  1  0  0  0
 15 31  2  0  0  0  0
 17 32  1  6  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
  2 35  1  6  0  0  0
M  END
>  <Mol_ID> (43)
234

>  <Formula> (43)
C27H41NO6S

>  <MolWeight> (43)
507.68254

>  <Cat> (43)
S1364

>  <Name> (43)
Patupilone (EPO906, Epothilone B)

>  <Synonyms> (43)
N/A 

>  <Target> (43)
Microtubule Associated

>  <Form> (43)
Free Base

>  <CAS> (43)
152044-54-7

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

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/06012110032D

 33 35  0  0  0  0  0  0  0  0999 V2000
   10.8798    4.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8798    3.5415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0922    2.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    3.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    4.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0922    5.6415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5129    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5129    2.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6716    5.6391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4633    4.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2551    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469    4.9415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    7.0391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    7.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    7.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    4.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056    7.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6592    1.4516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0286    1.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7286    2.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7919    3.4134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7253    4.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9378    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9378    7.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7253    7.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5129    7.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1161    2.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1460    7.7367    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    7.7367    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3633    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  3  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24  8  2  0  0  0  0
  7 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  7  1  0  0  0  0
 23 30  1  0  0  0  0
 27 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (44)
235

>  <Formula> (44)
C22H19Cl3N8

>  <MolWeight> (44)
501.79886

>  <Cat> (44)
S2924

>  <Name> (44)
CHIR-99021 (CT99021) HCl

>  <Synonyms> (44)
N/A

>  <Target> (44)
PI3K/Akt/mTOR

>  <Form> (44)
Hydrochloride

>  <CAS> (44)
252917-06-9 (free base)

>  <URL> (44)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/06012110032D

 42 46  0  0  0  0  0  0  0  0999 V2000
   10.8867    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1529    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    6.2903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 34  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (45)
279

>  <Formula> (45)
C31H31ClFN7O2

>  <MolWeight> (45)
588.0749432

>  <Cat> (45)
S1451

>  <Name> (45)
Aurora A Inhibitor I

>  <Synonyms> (45)
N/A

>  <Target> (45)
Aurora Kinase

>  <Form> (45)
Free Base

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

>  <URL> (45)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/06012110032D

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    8.4786   12.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   14.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    9.7806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  3  7  1  0  0  0  0
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 13  8  1  0  0  0  0
  9 14  2  0  0  0  0
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 22 24  1  0  0  0  0
 21 25  1  0  0  0  0
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M  END
>  <Mol_ID> (46)
280

>  <Formula> (46)
C30H33ClN4O2

>  <MolWeight> (46)
517.06162

>  <Cat> (46)
S1452

>  <Name> (46)
Ispinesib (SB-715992)

>  <Synonyms> (46)
N/A 

>  <Target> (46)
Kinesin

>  <Form> (46)
Free Base

>  <CAS> (46)
336113-53-2

>  <URL> (46)
http://www.selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

$$$$
PHA-6806320.cdx
csChFnd80/06012110032D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (47)
282

>  <Formula> (47)
C28H35N7O2

>  <MolWeight> (47)
501.6232

>  <Cat> (47)
S1454

>  <Name> (47)
PHA-680632

>  <Synonyms> (47)
N/A

>  <Target> (47)
Aurora Kinase

>  <Form> (47)
Free Base

>  <CAS> (47)
398493-79-3

>  <URL> (47)
http://www.selleckchem.com/products/PHA-680632.html

$$$$
Thiazovivin.cdx
csChFnd80/06012110032D

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1226056-71-8

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ROCK 

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864082-47-3

>  <URL> (49)
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593960-11-3

>  <URL> (50)
http://www.selleckchem.com/products/PIK-93.html

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943319-70-8

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http://www.selleckchem.com/products/AP24534.html

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914913-88-5

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1009298-09-2

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http://www.selleckchem.com/products/AZD8055.html

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>  <Mol_ID> (56)
344

>  <Formula> (56)
C20H20ClN3

>  <MolWeight> (56)
337.8459

>  <Cat> (56)
S1558

>  <Name> (56)
AT7867

>  <Synonyms> (56)
N/A

>  <Target> (56)
Akt, S6 kinase

>  <Form> (56)
Free Base

>  <CAS> (56)
857531-00-1

>  <URL> (56)
http://www.selleckchem.com/products/AT7867.html

$$$$
KU-60019.cdx
csChFnd80/06012110032D

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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (57)
350

>  <Formula> (57)
C30H33N3O5S

>  <MolWeight> (57)
547.66512

>  <Cat> (57)
S1570

>  <Name> (57)
KU-60019

>  <Synonyms> (57)
N/A

>  <Target> (57)
ATM 

>  <Form> (57)
Free Base

>  <CAS> (57)
925701-49-1

>  <URL> (57)
http://www.selleckchem.com/products/KU-60019.html

$$$$
Fasudil HCl.cdx
csChFnd80/06012110032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5171    1.2490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1248    2.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5171    3.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    4.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (58)
352

>  <Formula> (58)
C14H18ClN3O2S

>  <MolWeight> (58)
327.82962

>  <Cat> (58)
S1573

>  <Name> (58)
Fasudil HCl (HA-1077)

>  <Synonyms> (58)
AT-877 

>  <Target> (58)
ROCK

>  <Form> (58)
Hydrochloride

>  <CAS> (58)
105628-07-7

>  <URL> (58)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
ALBENZA (albendazole).cdx
csChFnd80/06012110032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8329    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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M  END
>  <Mol_ID> (59)
384

>  <Formula> (59)
C12H15N3O2S

>  <MolWeight> (59)
265.3314

>  <Cat> (59)
S1640

>  <Name> (59)
Albendazole (Albenza)

>  <Synonyms> (59)
Albenza, Eskazole, Zentel, Andazol 

>  <Target> (59)
Microtubule Associated

>  <Form> (59)
Free Base

>  <CAS> (59)
54965-21-8

>  <URL> (59)
http://www.selleckchem.com/products/Albendazole(Albenza).html

$$$$
Artemisinin.cdx
csChFnd80/06012110032D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.3912    4.5588    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.9200    4.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  5  1  0  0  0  0
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 11 13  1  6  0  0  0
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 16  8  1  0  0  0  0
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  3 23  1  1  0  0  0
M  END
>  <Mol_ID> (60)
390

>  <Formula> (60)
C15H22O5

>  <MolWeight> (60)
282.33218

>  <Cat> (60)
S1282

>  <Name> (60)
Artemisinin

>  <Synonyms> (60)
Qinghaosu

>  <Target> (60)
Antifection

>  <Form> (60)
Free Base

>  <CAS> (60)
63968-64-9

>  <URL> (60)
http://www.selleckchem.com/products/Artemisinin.html

$$$$
APRISO (mesalamine).cdx
csChFnd80/06012110032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  5  6  2  0  0  0  0
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  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (61)
410

>  <Formula> (61)
C7H7NO3

>  <MolWeight> (61)
153.13538

>  <Cat> (61)
S1681

>  <Name> (61)
Mesalamine (Lialda)

>  <Synonyms> (61)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (61)
I¦ÊB/IKK

>  <Form> (61)
Free Base

>  <CAS> (61)
89-57-6

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

$$$$
DCC-2036.cdx
csChFnd80/06012110032D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.3036    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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C30H28FN7O3

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DCC-2036 (Rebastinib)

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N/A 

>  <Target> (62)
Bcr-Abl

>  <Form> (62)
Free Base

>  <CAS> (62)
1020172-07-9

>  <URL> (62)
http://www.selleckchem.com/products/dcc-2036.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/06012110032D

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486

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C4H12ClN5

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165.62458

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S1950

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Metformin hydrochloride (Glucophage)

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Glucophage, Riomet, Diabex

>  <Target> (63)
Others

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Hydrochloride

>  <CAS> (63)
1115-70-4

>  <URL> (63)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Nolvadex (Tamoxifen Citrate).cdx
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>  <Mol_ID> (64)
492

>  <Formula> (64)
C32H37NO8

>  <MolWeight> (64)
563.63808

>  <Cat> (64)
S1972

>  <Name> (64)
Tamoxifen Citrate (Nolvadex)

>  <Synonyms> (64)
Istubal

>  <Target> (64)
Estrogen/progestogen Receptor

>  <Form> (64)
Citrate

>  <CAS> (64)
54965-24-1

>  <URL> (64)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

$$$$
AT13387.cdx
csChFnd80/06012110032D

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548

>  <Formula> (65)
C24H31N3O3

>  <MolWeight> (65)
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>  <Cat> (65)
S1163

>  <Name> (65)
Onalespib (AT13387)

>  <Synonyms> (65)
N/A

>  <Target> (65)
HSP

>  <Form> (65)
Free Base

>  <CAS> (65)
912999-49-6

>  <URL> (65)
http://www.selleckchem.com/products/at13387.html

$$$$
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M  END
>  <Mol_ID> (66)
550

>  <Formula> (66)
C20H17Cl2N9O2

>  <MolWeight> (66)
486.31408

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S2745

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CHIR-98014

>  <Synonyms> (66)
N/A

>  <Target> (66)
GSK-3

>  <Form> (66)
Free Base

>  <CAS> (66)
252935-94-7

>  <URL> (66)
http://www.selleckchem.com/products/chir-98014.html

$$$$
Ganetespib(STA-9090).cdx
csChFnd80/06012110032D

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>  <Mol_ID> (67)
551

>  <Formula> (67)
C20H20N4O3

>  <MolWeight> (67)
364.3978

>  <Cat> (67)
S1159

>  <Name> (67)
Ganetespib (STA-9090)

>  <Synonyms> (67)
N/A 

>  <Target> (67)
HSP

>  <Form> (67)
Free Base

>  <CAS> (67)
888216-25-9

>  <URL> (67)
http://www.selleckchem.com/products/ganetespib-sta-9090.html

$$$$
NVP-BGT226.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (68)
555

>  <Formula> (68)
C32H29F3N6O6

>  <MolWeight> (68)
650.6044696

>  <Cat> (68)
S2749

>  <Name> (68)
NVP-BGT226

>  <Synonyms> (68)
N/A 

>  <Target> (68)
PI3K, mTOR

>  <Form> (68)
Maleate

>  <CAS> (68)
1245537-68-1

>  <URL> (68)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/06012110032D

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573

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HDAC, PI3K

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Free Base

>  <CAS> (73)
1339928-25-4

>  <URL> (73)
http://www.selleckchem.com/products/cudc-907.html

$$$$
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csChFnd80/06012110032D

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580

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C14H11N3O3S

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301.32044

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S2775

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Nocodazole

>  <Synonyms> (74)
N/A 

>  <Target> (74)
Microtubule Associated

>  <Form> (74)
Free Base

>  <CAS> (74)
31430-18-9

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

$$$$
AZD2014.cdx
csChFnd80/06012110032D

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586

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>  <Name> (75)
Vistusertib (AZD2014)

>  <Synonyms> (75)
N/A 

>  <Target> (75)
mTOR

>  <Form> (75)
Free Base

>  <CAS> (75)
1009298-59-2

>  <URL> (75)
http://www.selleckchem.com/products/azd2014.html

$$$$
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>  <Mol_ID> (80)
618

>  <Formula> (80)
C19H22F3N5O2S

>  <MolWeight> (80)
441.4704896

>  <Cat> (80)
S2814

>  <Name> (80)
Alpelisib (BYL719)

>  <Synonyms> (80)
N/A 

>  <Target> (80)
PI3K

>  <Form> (80)
Free Base

>  <CAS> (80)
1217486-61-7

>  <URL> (80)
http://www.selleckchem.com/products/byl719.html

$$$$
NVP-TAE226.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (81)
624

>  <Formula> (81)
C23H25ClN6O3

>  <MolWeight> (81)
468.936

>  <Cat> (81)
S2820

>  <Name> (81)
NVP-TAE226

>  <Synonyms> (81)
N/A 

>  <Target> (81)
FAK

>  <Form> (81)
Free Base

>  <CAS> (81)
761437-28-9

>  <URL> (81)
http://www.selleckchem.com/products/nvp-tae226.html

$$$$
Quercetin.cdx
csChFnd80/06012110032D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (82)
625

>  <Formula> (82)
C15H10O7

>  <MolWeight> (82)
302.2357

>  <Cat> (82)
S2391

>  <Name> (82)
Quercetin (Sophoretin)

>  <Synonyms> (82)
Meletin, Quercetine

>  <Target> (82)
PI3K, PKC, Src, Sirtuin

>  <Form> (82)
Free Base

>  <CAS> (82)
117-39-5

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

$$$$
Salidroside.cdx
csChFnd80/06012110032D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (83)
629

>  <Formula> (83)
C14H20O7

>  <MolWeight> (83)
300.3044

>  <Cat> (83)
S2396

>  <Name> (83)
Salidroside (Rhodioloside)

>  <Synonyms> (83)
Rhodioloside

>  <Target> (83)
Others

>  <Form> (83)
Free Base

>  <CAS> (83)
10338-51-9

>  <URL> (83)
http://www.selleckchem.com/products/Salidroside-Rhodioloside.html

$$$$
KW2449.cdx
csChFnd80/06012110032D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (84)
655

>  <Formula> (84)
C20H20N4O

>  <MolWeight> (84)
332.399

>  <Cat> (84)
S2158

>  <Name> (84)
KW 2449

>  <Synonyms> (84)
N/A

>  <Target> (84)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (84)
Free Base

>  <CAS> (84)
1000669-72-6

>  <URL> (84)
http://www.selleckchem.com/products/KW-2449.html

$$$$
Daphnetin.cdx
csChFnd80/06012110032D

 13 14  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (85)
659

>  <Formula> (85)
C9H6O4

>  <MolWeight> (85)
178.14154

>  <Cat> (85)
S2554

>  <Name> (85)
Daphnetin

>  <Synonyms> (85)
N/A 

>  <Target> (85)
DNA/RNA Synthesis

>  <Form> (85)
Free Base

>  <CAS> (85)
486-35-1

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

$$$$
SB743921.cdx
csChFnd80/06012110032D

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668

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C31H34Cl2N2O3

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S2182

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SB743921 HCl

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N/A

>  <Target> (86)
Kinesin

>  <Form> (86)
Hydrochloride

>  <CAS> (86)
940929-33-9

>  <URL> (86)
http://www.selleckchem.com/products/SB-743921.html

$$$$
CYT997.cdx
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CYT997

>  <Synonyms> (87)
N/A

>  <Target> (87)
Microtubule Associated

>  <Form> (87)
Free Base

>  <CAS> (87)
917111-44-5

>  <URL> (87)
http://www.selleckchem.com/products/CYT997.html

$$$$
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679

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C26H20F3N7O

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NVP-BHG712

>  <Synonyms> (88)
N/A

>  <Target> (88)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (88)
Free Base

>  <CAS> (88)
940310-85-0

>  <URL> (88)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
PP442.cdx
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C16H16N6O

>  <MolWeight> (89)
308.33784

>  <Cat> (89)
S2218

>  <Name> (89)
Torkinib (PP242)

>  <Synonyms> (89)
TORKinib 

>  <Target> (89)
mTOR

>  <Form> (89)
Free Base

>  <CAS> (89)
1092351-67-1

>  <URL> (89)
http://www.selleckchem.com/products/PP242.html

$$$$
Honokiol.cdx
csChFnd80/06012110032D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (90)
733

>  <Formula> (90)
C18H18O2

>  <MolWeight> (90)
266.33432

>  <Cat> (90)
S2310

>  <Name> (90)
Honokiol

>  <Synonyms> (90)
N/A

>  <Target> (90)
Akt, MEK

>  <Form> (90)
Free Base

>  <CAS> (90)
35354-74-6

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

$$$$
Myricitrin.cdx
csChFnd80/06012110032D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (91)
746

>  <Formula> (91)
C21H20O12

>  <MolWeight> (91)
464.3763

>  <Cat> (91)
S2327

>  <Name> (91)
Myricitrin (Myricitrine)

>  <Synonyms> (91)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (91)
PKC

>  <Form> (91)
Free Base

>  <CAS> (91)
17912-87-7

>  <URL> (91)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Oridonin.cdx
csChFnd80/06012110032D

 28 32  0  0  0  0  0  0  0  0999 V2000
    2.5553    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5553    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7677    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.3429    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5097    5.6673    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1465    5.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    6.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2724    6.8823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9105    8.4019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4641    6.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7677    4.9000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1677    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1062    7.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5654    1.8101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3429    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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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    1.6980    9.1019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15  9  1  0  0  0  0
  9  7  1  1  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  2  0  0  0  0
 10 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  6  0  0  0
  1 21  1  6  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  5 24  1  1  0  0  0
  6 25  1  1  0  0  0
 25 26  1  0  0  0  0
  7 26  1  1  0  0  0
 12 27  1  6  0  0  0
 13 28  1  6  0  0  0
M  END
>  <Mol_ID> (92)
752

>  <Formula> (92)
C20H28O6

>  <MolWeight> (92)
364.43272

>  <Cat> (92)
S2335

>  <Name> (92)
Oridonin (Isodonol)

>  <Synonyms> (92)
Isodonol

>  <Target> (92)
Others

>  <Form> (92)
Free Base

>  <CAS> (92)
28957-04-2

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/06012110032D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (93)
762

>  <Formula> (93)
C15H14O9

>  <MolWeight> (93)
338.26626

>  <Cat> (93)
S2347

>  <Name> (93)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (93)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (93)
Others

>  <Form> (93)
Dihydrate

>  <CAS> (93)
6151-25-3

>  <URL> (93)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Dihydromyricetin.cdx
csChFnd80/06012110032D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (94)
767

>  <Formula> (94)
C15H12O8

>  <MolWeight> (94)
320.25098

>  <Cat> (94)
S2399

>  <Name> (94)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (94)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (94)
Others

>  <Form> (94)
Free Base

>  <CAS> (94)
27200-12-0

>  <URL> (94)
http://www.selleckchem.com/products/Dihydromyricetin-Ampeloptin.html

$$$$
Sophocarpine.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (95)
770

>  <Formula> (95)
C15H22N2O

>  <MolWeight> (95)
246.34798

>  <Cat> (95)
S2405

>  <Name> (95)
Sophocarpine

>  <Synonyms> (95)
N/A

>  <Target> (95)
Others

>  <Form> (95)
Free Base

>  <CAS> (95)
6483-15-4

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

$$$$
Imatinib.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (96)
790

>  <Formula> (96)
C29H31N7O

>  <MolWeight> (96)
493.60274

>  <Cat> (96)
S2475

>  <Name> (96)
Imatinib (STI571) 

>  <Synonyms> (96)
STI571, Glivec

>  <Form> (96)
Free Base

>  <CAS> (96)
152459-95-5

>  <URL> (96)
http://www.selleckchem.com/products/Imatinib(STI571).html

$$$$
TAK-901.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (97)
796

>  <Formula> (97)
C28H32N4O3S

>  <MolWeight> (97)
504.64368

>  <Cat> (97)
S2718

>  <Name> (97)
TAK-901

>  <Synonyms> (97)
N/A

>  <Target> (97)
Aurora Kinase

>  <Form> (97)
Free Base

>  <CAS> (97)
934541-31-8

>  <URL> (97)
http://www.selleckchem.com/products/tak-901.html

$$$$
AMG900.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (98)
799

>  <Formula> (98)
C28H21N7OS

>  <MolWeight> (98)
503.57764

>  <Cat> (98)
S2719

>  <Name> (98)
AMG 900

>  <Synonyms> (98)
N/A

>  <Target> (98)
Aurora Kinase

>  <Form> (98)
Free Base

>  <CAS> (98)
945595-80-2

>  <URL> (98)
http://www.selleckchem.com/products/amg-900.html

$$$$

csChFnd80/06012110032D

 34 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (99)
802

>  <Formula> (99)
C22H30Cl2N4O6

>  <MolWeight> (99)
517.4028

>  <Cat> (99)
S2485

>  <Name> (99)
Mitoxantrone 2HCl

>  <Synonyms> (99)
NSC-301739

>  <Target> (99)
Topoisomerase

>  <Form> (99)
Dihydrochloride

>  <CAS> (99)
70476-82-3

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

$$$$
GSK2126458.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (100)
812

>  <Formula> (100)
C25H17F2N5O3S

>  <MolWeight> (100)
505.4959864

>  <Cat> (100)
S2658

>  <Name> (100)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (100)
N/A 

>  <Target> (100)
PI3K, mTOR

>  <Form> (100)
Free Base

>  <CAS> (100)
1086062-66-9 

>  <URL> (100)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
fty720.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (101)
839

>  <Formula> (101)
C19H34ClNO2

>  <MolWeight> (101)
343.93176

>  <Cat> (101)
S5002

>  <Name> (101)
Fingolimod (FTY720) HCl

>  <Synonyms> (101)
Gilenia 

>  <Target> (101)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (101)
Hydrochloride

>  <URL> (101)
http://www.selleckchem.com/products/FTY720.html

$$$$
CAL-1011.cdx
csChFnd80/06012110032D

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870281-82-6

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http://www.selleckchem.com/products/CAL-101.html

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PI3K 

>  <Form> (103)
Free Base

>  <CAS> (103)
900185-02-6

>  <URL> (103)
http://www.selleckchem.com/products/PIK-294.html

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Phenformin hydrochloride.cdx
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C10H16ClN5

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241.72054

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S2542

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Phenformin hydrochloride 

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N/A

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AMPK

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Hydrochloride 

>  <CAS> (104)
834-28-6

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

$$$$
CK-1827452.cdx
csChFnd80/06012110032D

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ATPase

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873697-71-3

>  <URL> (105)
http://www.selleckchem.com/products/Omecamtiv-mecarbil-CK-1827452.html

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OSI-027.cdx
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C21H22N6O3

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OSI-027

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N/A 

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mTOR

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Free Base

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936890-98-1

>  <URL> (106)
http://www.selleckchem.com/products/OSI027.html

$$$$
PP121.cdx
csChFnd80/06012110032D

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858

>  <Formula> (107)
C17H17N7

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319.36378

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S2622

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PP-121

>  <Synonyms> (107)
N/A

>  <Target> (107)
DNA-PK, mTOR, PDGF

>  <Form> (107)
Free Base

>  <CAS> (107)
1092788-83-4

>  <URL> (107)
http://www.selleckchem.com/products/PP121.html

$$$$
WP1130.cdx
csChFnd80/06012110032D

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861

>  <Formula> (108)
C19H18BrN3O

>  <MolWeight> (108)
384.26972

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S2243

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Degrasyn (WP1130)

>  <Synonyms> (108)
N/A

>  <Target> (108)
DUB, Bcr-Abl

>  <Form> (108)
Free Base

>  <CAS> (108)
856243-80-6

>  <URL> (108)
http://www.selleckchem.com/products/WP1130.html

$$$$
BKM-120.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (109)
868

>  <Formula> (109)
C18H21F3N6O2

>  <MolWeight> (109)
410.3935496

>  <Cat> (109)
S2247

>  <Name> (109)
BKM120 (NVP-BKM120)

>  <Synonyms> (109)
N/A 

>  <Target> (109)
PI3K

>  <Form> (109)
Free Base

>  <CAS> (109)
944396-07-0

>  <URL> (109)
http://www.selleckchem.com/products/BKM-120.html

$$$$
CCT128930.cdx
csChFnd80/06012110032D

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875

>  <Formula> (110)
C18H20ClN5

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>  <Cat> (110)
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CCT128930

>  <Synonyms> (110)
N/A 

>  <Target> (110)
Akt

>  <Form> (110)
Free Base

>  <CAS> (110)
885499-61-6

>  <URL> (110)
http://www.selleckchem.com/products/cct128930.html

$$$$
A66.cdx
csChFnd80/06012110032D

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939791-38-5

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741713-40-6

>  <URL> (117)
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HSP

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908112-43-6

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http://www.selleckchem.com/products/snx-2112.html

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mTOR

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1144068-46-1

>  <URL> (120)
http://www.selleckchem.com/products/wye-125132.html

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N/A

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GSK-3

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Free Base

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601514-19-6

>  <URL> (121)
http://www.selleckchem.com/products/TWS119.html

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>  <Synonyms> (122)
N/A

>  <Target> (122)
Akt

>  <Form> (122)
Free Base

>  <CAS> (122)
937174-76-0

>  <URL> (122)
http://www.selleckchem.com/products/GSK690693.html

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>  <CAS> (123)
780757-88-2

>  <URL> (123)
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>  <Mol_ID> (124)
916

>  <Formula> (124)
C25H30F3N5O4

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PF-04929113 (SNX-5422)

>  <Synonyms> (124)
N/A 

>  <Target> (124)
HSP

>  <Form> (124)
Free Base

>  <CAS> (124)
908115-27-5

>  <URL> (124)
http://www.selleckchem.com/products/pf-04929113.html

$$$$
Geldanamycin.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (125)
922

>  <Formula> (125)
C29H40N2O9

>  <MolWeight> (125)
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>  <Cat> (125)
S2713

>  <Name> (125)
Geldanamycin

>  <Synonyms> (125)
N/A

>  <Target> (125)
HSP

>  <Form> (125)
Free Base

>  <CAS> (125)
30562-34-6

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

$$$$
A769662.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (126)
923

>  <Formula> (126)
C20H12N2O3S

>  <MolWeight> (126)
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>  <Cat> (126)
S2697

>  <Name> (126)
A-769662

>  <Synonyms> (126)
N/A

>  <Target> (126)
AMPK

>  <Form> (126)
Free Base

>  <CAS> (126)
844499-71-4

>  <URL> (126)
http://www.selleckchem.com/products/a-769662.html

$$$$
AZ3146.cdx
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1124329-14-1

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http://www.selleckchem.com/products/az-3146.html

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PI3K, mTOR

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1007207-67-1

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

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1032754-93-0

>  <URL> (129)
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264218-23-7

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>  <Mol_ID> (132)
951

>  <Formula> (132)
C22H21ClFN3O3S

>  <MolWeight> (132)
461.9368432

>  <Cat> (132)
S2770

>  <Name> (132)
MK-5108 (VX-689)

>  <Synonyms> (132)
N/A 

>  <Target> (132)
Aurora Kinase

>  <Form> (132)
Free Base

>  <CAS> (132)
1010085-13-8

>  <URL> (132)
http://www.selleckchem.com/products/mk-5108-vx-689.html

$$$$
PF-04691502.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (133)
960

>  <Formula> (133)
C22H27N5O4

>  <MolWeight> (133)
425.48088

>  <Cat> (133)
S2743

>  <Name> (133)
PF-04691502

>  <Synonyms> (133)
N/A

>  <Target> (133)
mTOR, PI3K, Akt

>  <Form> (133)
Free Base

>  <CAS> (133)
1013101-36-4 

>  <URL> (133)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Albendazole oxide.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (134)
975

>  <Formula> (134)
C12H15N3O3S

>  <MolWeight> (134)
281.3308

>  <Cat> (134)
S1836

>  <Name> (134)
Albendazole Oxide (Ricobendazole)

>  <Synonyms> (134)
N/A 

>  <Target> (134)
Microtubule Associated

>  <Form> (134)
Free Base

>  <CAS> (134)
54029-12-8

>  <URL> (134)
http://www.selleckchem.com/products/albendazole-oxide-ricobendazole.html

$$$$
Cephalomannine.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (144)
1167

>  <Formula> (144)
C10H10N2O2S

>  <MolWeight> (144)
222.2636

>  <Cat> (144)
S2926

>  <Name> (144)
TDZD-8

>  <Synonyms> (144)
N/A

>  <Target> (144)
GSK-3

>  <Form> (144)
Free Base

>  <CAS> (144)
327036-89-5 

>  <URL> (144)
http://www.selleckchem.com/products/tdzd-8.html

$$$$
GNF-2.cdx
csChFnd80/06012110032D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (145)
1244

>  <Formula> (145)
C18H13F3N4O2

>  <MolWeight> (145)
374.3166296

>  <Cat> (145)
S2899

>  <Name> (145)
GNF-2

>  <Synonyms> (145)
N/A

>  <Target> (145)
Bcr-Abl

>  <Form> (145)
Free Base

>  <CAS> (145)
778270-11-4

>  <URL> (145)
http://www.selleckchem.com/products/gnf-2.html

$$$$
Griseofulvin.cdx
csChFnd80/06012110032D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  8  1  0  0  0  0
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 17 18  1  0  0  0  0
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  8  7  1  6  0  0  0
M  END
>  <Mol_ID> (146)
1311

>  <Formula> (146)
C17H17ClO6

>  <MolWeight> (146)
352.76628

>  <Cat> (146)
S4071

>  <Name> (146)
Griseofulvin

>  <Synonyms> (146)
N/A

>  <Target> (146)
Microtubule Associated

>  <Form> (146)
Free Base

>  <CAS> (146)
126-07-8

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

$$$$
triclabendazole.cdx
csChFnd80/06012110032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (147)
1375

>  <Formula> (147)
C14H9Cl3N2OS

>  <MolWeight> (147)
359.65806

>  <Cat> (147)
S4114

>  <Name> (147)
Triclabendazole

>  <Synonyms> (147)
N/A

>  <Target> (147)
Microtubule Associated

>  <Form> (147)
Free Base

>  <CAS> (147)
68786-66-3

>  <URL> (147)
http://www.selleckchem.com/products/triclabendazole.html

$$$$
untitled.cdx
csChFnd80/06012110032D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.2572    1.2898    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 16  9  1  0  0  0  0
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  1 23  1  6  0  0  0
  2 22  1  6  0  0  0
M  END
>  <Mol_ID> (148)
1463

>  <Formula> (148)
C13H16N6O4

>  <MolWeight> (148)
320.30394

>  <Cat> (148)
S1117

>  <Name> (148)
Triciribine

>  <Synonyms> (148)
N/A

>  <Target> (148)
Akt

>  <Form> (148)
Free Base

>  <CAS> (148)
35943-35-2

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

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/06012110032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (149)
1465

>  <Formula> (149)
C8H7NO2S

>  <MolWeight> (149)
181.21168

>  <Cat> (149)
S2930

>  <Name> (149)
Pifithrin-¦Ì

>  <Synonyms> (149)
NSC 303580, PFT¦Ì

>  <Target> (149)
p53

>  <Form> (149)
Free Base

>  <CAS> (149)
64984-31-2

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

$$$$
Flufenamic acid.cdx
csChFnd80/06012110032D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870    1.5876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (150)
1489

>  <Formula> (150)
C14H10F3NO2

>  <MolWeight> (150)
281.2299096

>  <Cat> (150)
S4268

>  <Name> (150)
Flufenamic acid

>  <Synonyms> (150)
N/A

>  <Target> (150)
COX

>  <Form> (150)
Free Base

>  <CAS> (150)
530-78-9

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

$$$$
Vinorelbine tartrate.cdx
csChFnd80/06012110032D

 79 85  0  0  0  0  0  0  0  0999 V2000
    6.7339    8.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1587    8.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9463    9.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4902    7.1539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3131    8.2866    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4902    9.4192    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9213    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7055    8.4329    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.4520   10.8445    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0597   10.6981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (151)
1498

>  <Formula> (151)
C53H66N4O20

>  <MolWeight> (151)
1079.10594

>  <Cat> (151)
S4269

>  <Name> (151)
Vinorelbine Tartrate

>  <Synonyms> (151)
N/A

>  <Target> (151)
Microtubule Associated

>  <Form> (151)
Tartrate

>  <CAS> (151)
125317-39-7

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

$$$$
Vincristine Sulfate.cdx
csChFnd80/06012110032D

 68 75  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (152)
1502

>  <Formula> (152)
C46H58N4O14S

>  <MolWeight> (152)
923.03612

>  <Cat> (152)
S1241

>  <Name> (152)
Vincristine Sulfate

>  <Synonyms> (152)
Leurocristine

>  <Target> (152)
Microtubule Associ

>  <Form> (152)
Free Base

>  <CAS> (152)
2068-78-2

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

$$$$
Meclofenamate sodium.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (153)
1523

>  <Formula> (153)
C14H10Cl2NNaO2

>  <MolWeight> (153)
318.13047

>  <Cat> (153)
S4295

>  <Name> (153)
Meclofenamate sodium

>  <Synonyms> (153)
N/A

>  <Target> (153)
COX

>  <Form> (153)
Sodium Salt

>  <CAS> (153)
6385-02-0

>  <URL> (153)
http://www.selleckchem.com/products/meclofenamate-sodium.html

$$$$
Temsirolimus.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (154)
1537

>  <Formula> (154)
C56H87NO16

>  <MolWeight> (154)
1030.28708

>  <Cat> (154)
S1044

>  <Name> (154)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (154)
N/A

>  <Target> (154)
mTOR

>  <Form> (154)
Free Base

>  <CAS> (154)
162635-04-3

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

$$$$
S1263.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (155)
1561

>  <Formula> (155)
C22H18Cl2N8

>  <MolWeight> (155)
465.33792

>  <Cat> (155)
S1263

>  <Name> (155)
CHIR-99021 (CT99021)

>  <Synonyms> (155)
N/A

>  <Target> (155)
GSK-3

>  <Form> (155)
Free Base

>  <CAS> (155)
252917-06-9

>  <URL> (155)
http://www.selleckchem.com/products/CHIR-99021.html

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (156)
1563

>  <Formula> (156)
C32H37NO8

>  <MolWeight> (156)
563.63808

>  <Cat> (156)
S1238

>  <Name> (156)
Tamoxifen

>  <Synonyms> (156)
10540-29-1

>  <Target> (156)
Estrogen/progestogen Receptor

>  <Form> (156)
Free Base

>  <CAS> (156)
ICI 46474

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

$$$$
Vinblastine sulfate.cdx
csChFnd80/06012110032D

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   13.8860    9.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (157)
1564

>  <Formula> (157)
C46H60N4O13S

>  <MolWeight> (157)
909.0526

>  <Cat> (157)
S4505

>  <Name> (157)
Vinblastine sulfate

>  <Synonyms> (157)
NSC49842

>  <Target> (157)
Microtubule Associated

>  <Form> (157)
Free Base

>  <CAS> (157)
143-67-9

>  <URL> (157)
http://www.selleckchem.com/products/vinblastine-sulfate.html

$$$$
i-Inositol.cdx
csChFnd80/06012110032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  6  8  1  1  0  0  0
  5  9  1  1  0  0  0
  3 10  1  1  0  0  0
  2 11  1  6  0  0  0
  4 12  1  6  0  0  0
M  END
>  <Mol_ID> (158)
1579

>  <Formula> (158)
C6H12O6

>  <MolWeight> (158)
180.15588

>  <Cat> (158)
S4530

>  <Name> (158)
i-Inositol

>  <Synonyms> (158)
myo-inositol

>  <Target> (158)
Others

>  <Form> (158)
Free Base

>  <CAS> (158)
87-89-8

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

$$$$
Danthron.cdx
csChFnd80/06012110032D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4399    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
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 14 16  1  0  0  0  0
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 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (159)
1594

>  <Formula> (159)
C14H8O4

>  <MolWeight> (159)
240.21092

>  <Cat> (159)
S4561

>  <Name> (159)
Danthron

>  <Synonyms> (159)
chrysazin, Antrapurol

>  <Target> (159)
Others

>  <Form> (159)
Free Base

>  <CAS> (159)
117-10-2

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

$$$$
Methylene Blue.cdx
csChFnd80/06012110032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0477    3.0335    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (160)
1599

>  <Formula> (160)
C16H18ClN3S

>  <MolWeight> (160)
319.85222

>  <Cat> (160)
S4535

>  <Name> (160)
Methylene Blue

>  <Synonyms> (160)
Basic Blue 9, Tetramethylthionine chloride, methylthioninium chloride, CI-52015

>  <Target> (160)
Others

>  <Form> (160)
Free Base

>  <CAS> (160)
61-73-4

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

$$$$
S4711 Esculetin.cdx
csChFnd80/06012110032D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (161)
1702

>  <Formula> (161)
C9H6O4

>  <MolWeight> (161)
178.14154

>  <Cat> (161)
S4711

>  <Name> (161)
Esculetin

>  <Synonyms> (161)
Cichorigenin|Aesculetin

>  <Target> (161)
Others

>  <Form> (161)
Free Base

>  <CAS> (161)
305-01-1

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

$$$$
S4743 Wogonin.cdx
csChFnd80/06012110032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6326    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    2.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438    4.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4175    4.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454    2.0945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0572    4.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438    6.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2051    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2204    2.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0602    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    0.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (162)
1733

>  <Formula> (162)
C16H12O5

>  <MolWeight> (162)
284.26348

>  <Cat> (162)
S4743

>  <Name> (162)
Wogonin

>  <Synonyms> (162)
Vogonin

>  <Target> (162)
CDK

>  <Form> (162)
Free Base

>  <CAS> (162)
632-85-9

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

$$$$
NS-187.cdx
csChFnd80/06012110032D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (163)
1745

>  <Formula> (163)
C30H31F3N8O

>  <MolWeight> (163)
576.6153496

>  <Cat> (163)
S1369

>  <Name> (163)
Bafetinib (INNO-406)

>  <Synonyms> (163)
NS-187

>  <Target> (163)
Abl,Lyn

>  <Form> (163)
Free Base

>  <CAS> (163)
859212-16-1

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

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/06012110032D

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  3  4  1  0  0  0  0
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 21 46  1  0  0  0  0
 46 47  1  0  0  0  0
M  END
>  <Mol_ID> (164)
1748

>  <Formula> (164)
C37H42Cl2N2O6

>  <MolWeight> (164)
681.64518

>  <Cat> (164)
S3609

>  <Name> (164)
Berbamine (dihydrochloride)

>  <Synonyms> (164)
N/A

>  <Target> (164)
NF-¦ÊB,bcr/abl

>  <Form> (164)
dihydrochloride

>  <CAS> (164)
6078-17-7

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

$$$$
S3606 Fangchinoline.cdx
csChFnd80/06012110032D

 45 51  0  0  0  0  0  0  0  0999 V2000
    2.4346    8.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6614    8.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2114    6.0514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2048   10.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (165)
1752

>  <Formula> (165)
C37H40N2O6

>  <MolWeight> (165)
608.7233

>  <Cat> (165)
S3606

>  <Name> (165)
Fangchinoline

>  <Synonyms> (165)
N/A

>  <Target> (165)
HIV-1

>  <Form> (165)
free base

>  <CAS> (165)
33889-68-8

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

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/06012110032D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    3.5111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2319    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6177    4.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (166)
1761

>  <Formula> (166)
C4H7NO2

>  <MolWeight> (166)
101.10388

>  <Cat> (166)
S3699

>  <Name> (166)
2,3-Butanedione-2-monoxime

>  <Synonyms> (166)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (166)
skeletal muscle myosin-II

>  <Form> (166)
free base

>  <CAS> (166)
57-71-6

>  <URL> (166)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/06012110032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6085    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    2.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4093    4.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8210    6.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005    4.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    0.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
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 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (167)
1772

>  <Formula> (167)
C9H10O4

>  <MolWeight> (167)
182.1733

>  <Cat> (167)
S3630

>  <Name> (167)
Methyl Vanillate

>  <Synonyms> (167)
N/A

>  <Target> (167)
Wnt/¦Â-Catenin

>  <Form> (167)
free base

>  <CAS> (167)
3943-74-6

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

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/06012110032D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (168)
1788

>  <Formula> (168)
C11H8O3

>  <MolWeight> (168)
188.17942

>  <Cat> (168)
S3661

>  <Name> (168)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (168)
N/A

>  <Target> (168)
PKC

>  <Form> (168)
free base

>  <CAS> (168)
2348-82-5

>  <URL> (168)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3725 ELR-510444.cdx
csChFnd80/06012110032D

 25 27  0  0  0  0  0  0  0  0999 V2000
   12.3142    3.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3142    4.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5289    5.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7478    4.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7478    3.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5359    2.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9536    5.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  1  7  1  0  0  0  0
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 13 14  2  0  0  0  0
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 24 25  3  0  0  0  0
 22 24  1  0  0  0  0
 16 19  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (169)
1805

>  <Formula> (169)
C19H16N2O2S2

>  <MolWeight> (169)
368.47254

>  <Cat> (169)
S3725

>  <Name> (169)
ELR-510444

>  <Synonyms> (169)
N/A

>  <Target> (169)
microtubule

>  <Form> (169)
free base

>  <CAS> (169)
1233948-35-0

>  <URL> (169)
http://www.selleckchem.com/products/elr-510444.html

$$$$
S3714 Lifitegrast.cdx
csChFnd80/06012110032D

 41 45  0  0  0  0  0  0  0  0999 V2000
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.5533    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
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 25 20  1  0  0  0  0
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  3 27  1  0  0  0  0
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 29 31  2  0  0  0  0
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 35 29  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  2  0  0  0  0
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 38 34  1  0  0  0  0
 26 39  2  0  0  0  0
 26 40  2  0  0  0  0
 26 41  1  0  0  0  0
M  END
>  <Mol_ID> (170)
1832

>  <Formula> (170)
C29H24Cl2N2O7S

>  <MolWeight> (170)
615.48106

>  <Cat> (170)
S3714

>  <Name> (170)
Lifitegrast

>  <Synonyms> (170)
SAR1118

>  <Target> (170)
Integrin

>  <Form> (170)
free base

>  <CAS> (170)
1025967-78-5

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

$$$$
Colchicine.cdx
csChFnd80/06012110032D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.6958    2.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  8  2  0  0  0  0
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 26 29  1  0  0  0  0
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M  END
>  <Mol_ID> (171)
1866

>  <Formula> (171)
C22H25NO6

>  <MolWeight> (171)
399.437

>  <Cat> (171)
S2284

>  <Name> (171)
Colchicine

>  <Synonyms> (171)
Colchineos, Colchisol, Colcin

>  <Target> (171)
Microtubule Associated inhibitor 

>  <Form> (171)
free base

>  <CAS> (171)
64-86-8

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

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/06012110032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1100    3.6488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.3900    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7  9  1  0  0  0  0
  9 11  1  6  0  0  0
M  END
>  <Mol_ID> (172)
1888

>  <Formula> (172)
C6H13NO4

>  <MolWeight> (172)
163.17172

>  <Cat> (172)
S3839

>  <Name> (172)
1-Deoxynojirimycin

>  <Synonyms> (172)
duvoglustat, moranolin

>  <Target> (172)
¦Á-glucosidase

>  <Form> (172)
free base

>  <CAS> (172)
19130-96-2

>  <URL> (172)
http://www.selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/06012110032D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9660    7.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2136    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
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 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
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 18  3  2  0  0  0  0
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 21  5  1  0  0  0  0
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 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (173)
1892

>  <Formula> (173)
C19H20O5

>  <MolWeight> (173)
328.3591

>  <Cat> (173)
S3819

>  <Name> (173)
Decursinol angelate

>  <Synonyms> (173)
N/A

>  <Target> (173)
PKC

>  <Form> (173)
free base

>  <CAS> (173)
130848-06-5

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

$$$$
S3836 6-Gingerol.cdx
csChFnd80/06012110032D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.8540    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3411    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7660    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6416    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
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  1 12  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (174)
1905

>  <Formula> (174)
C17H26O4

>  <MolWeight> (174)
294.38594

>  <Cat> (174)
S3836

>  <Name> (174)
6-Gingerol

>  <Synonyms> (174)
CI-1011

>  <Target> (174)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (174)
free base

>  <CAS> (174)
23513-14-6

>  <URL> (174)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/06012110032D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    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
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (175)
1909

>  <Formula> (175)
C21H20O12

>  <MolWeight> (175)
464.3763

>  <Cat> (175)
S3842

>  <Name> (175)
Isoquercitrin

>  <Synonyms> (175)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (175)
Wnt/¦Â-catenin

>  <Form> (175)
free base

>  <CAS> (175)
482-35-9

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

$$$$
S3783 Echinacoside.cdx
csChFnd80/06012110032D

 55 59  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (176)
1927

>  <Formula> (176)
C35H46O20

>  <MolWeight> (176)
786.72774

>  <Cat> (176)
S3783

>  <Name> (176)
Echinacoside

>  <Synonyms> (176)
N/A

>  <Target> (176)
Others

>  <Form> (176)
free base

>  <CAS> (176)
82854-37-3

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

$$$$
S3933 10-deacetyl-paclitaxel,10-DAT.cdx
csChFnd80/06012110032D

 61 67  0  0  0  0  0  0  0  0999 V2000
   16.6230    5.4612    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7876    6.5983    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0308    5.6314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8706    4.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8806    4.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4572    6.0801    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3291    7.8902    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3480    4.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5879    6.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7545    3.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1807    6.7916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3643    4.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7291    8.0447    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8030    9.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9402    9.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1393    3.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2517    1.8721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8926    8.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2862    9.3522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4030    9.7079    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.7778   10.2648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7898    7.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0692    8.0061    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0339    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8968    4.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1015   11.0693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7807    9.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6844    8.0061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8348    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2483    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0692   10.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4699    8.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8194    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2483    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2557    8.0061    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4699   10.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0339    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412    8.6946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2557    6.6216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412   10.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267    8.0061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267   10.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2557   10.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6278    8.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267   12.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4133    8.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6278   10.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412   12.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3700    5.2523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3923    5.3297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 60  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 61  1  6  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  1  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  1  0  0  0
 12 21  1  0  0  0  0
 13 22  1  1  0  0  0
 14 23  1  0  0  0  0
 14 24  2  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 21 29  1  0  0  0  0
 21 30  2  0  0  0  0
 23 31  1  1  0  0  0
 23 25  1  0  0  0  0
 25 32  2  0  0  0  0
 28 33  1  6  0  0  0
 28 32  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  2  0  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 34 38  2  0  0  0  0
 35 39  1  0  0  0  0
 37 40  1  0  0  0  0
 37 41  2  0  0  0  0
 38 42  1  0  0  0  0
 39 42  2  0  0  0  0
 40 43  1  0  0  0  0
 40 44  1  6  0  0  0
 43 45  1  0  0  0  0
 43 46  1  1  0  0  0
 45 47  2  0  0  0  0
 45 48  1  0  0  0  0
 46 49  1  0  0  0  0
 47 50  1  0  0  0  0
 48 51  2  0  0  0  0
 49 52  1  0  0  0  0
 49 53  2  0  0  0  0
 50 54  2  0  0  0  0
 51 54  1  0  0  0  0
 52 55  2  0  0  0  0
 52 56  1  0  0  0  0
 55 57  1  0  0  0  0
 56 58  2  0  0  0  0
 57 59  2  0  0  0  0
 58 59  1  0  0  0  0
M  END
>  <Mol_ID> (177)
1938

>  <Formula> (177)
C45H49NO13

>  <MolWeight> (177)
811.86946

>  <Cat> (177)
S3933

>  <Name> (177)
10-deacetyl-paclitaxel

>  <Synonyms> (177)
10-DAT, Deacetyl Paclitaxel

>  <Target> (177)
Others

>  <Form> (177)
free base

>  <CAS> (177)
78432-77-6

>  <URL> (177)
http://www.selleckchem.com/products/10-deacetyl-paclitaxel.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/06012110032D

 58 65  0  0  0  0  0  0  0  0999 V2000
    9.6984    9.2105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4740    8.5036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9007    8.5163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4602    9.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6984   10.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4740    7.0593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2549    9.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480    9.2364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9007    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090   11.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465    6.3343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2584    6.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0158    8.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480   10.6287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.6659    7.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9756    2.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2132    4.9492    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6317    7.0470    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.9079   12.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7459   13.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2364   10.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2474    2.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4215    4.2517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4161    6.3429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6298    8.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9085   13.8162    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5399   14.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4317    2.8980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2474    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6339    4.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0266   14.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6441    2.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0507    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4319    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    6.3378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  4  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 55  1  1  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 56  1  6  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  6  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 17  1  6  0  0  0
 12 18  1  0  0  0  0
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 13 18  1  0  0  0  0
 14 21  1  0  0  0  0
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 15 23  1  0  0  0  0
 24 17  1  1  0  0  0
 18 25  1  1  0  0  0
 21 26  1  0  0  0  0
 21 23  1  0  0  0  0
 21 57  1  6  0  0  0
 23 27  1  1  0  0  0
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 30 25  1  1  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
 26 33  1  6  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 30 37  1  0  0  0  0
 31 38  1  0  0  0  0
 32 39  1  0  0  0  0
 34 40  1  0  0  0  0
 34 41  1  1  0  0  0
 35 42  1  1  0  0  0
 35 40  1  0  0  0  0
 36 43  1  0  0  0  0
 36 44  1  6  0  0  0
 37 45  1  0  0  0  0
 38 46  1  1  0  0  0
 38 39  1  0  0  0  0
 40 47  1  6  0  0  0
 41 48  1  0  0  0  0
 43 49  1  0  0  0  0
 43 50  1  1  0  0  0
 45 49  1  0  0  0  0
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 46 53  1  0  0  0  0
 49 54  1  6  0  0  0
 29 58  1  6  0  0  0
M  END
>  <Mol_ID> (178)
1980

>  <Formula> (178)
C41H68O14

>  <MolWeight> (178)
784.97022

>  <Cat> (178)
S3901

>  <Name> (178)
Astragaloside IV

>  <Synonyms> (178)
AST-IV, AS-IV

>  <Target> (178)
Others

>  <Form> (178)
free base

>  <CAS> (178)
84687-43-4

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

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/06012110032D

 32 37  0  0  0  0  0  0  0  0999 V2000
    6.0576    3.5342    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2155    4.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4168    5.6360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6325    4.9289    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6263    3.5288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8359    2.8234    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0574    4.9185    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2654    5.6136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4683    4.8968    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4490    3.5006    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8595    3.4670    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8789    4.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    5.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2162    1.4191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7242    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7242    3.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    7.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6199    6.3290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    2.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1026    5.5434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    1.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8357    2.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6422    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7849    4.6107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2050    0.0212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6306    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6277    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0379    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
 11  1  1  0  0  0  0
  1  7  1  6  0  0  0
  1 15  1  0  0  0  0
  4  2  1  0  0  0  0
  2 23  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4 20  1  1  0  0  0
  5  4  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  1  0  0  0
  5  6  1  0  0  0  0
  6 22  1  1  0  0  0
  6  7  1  0  0  0  0
  7 25  1  1  0  0  0
  8 18  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 14 10  1  0  0  0  0
 11 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 26  1  6  0  0  0
 12 13  1  0  0  0  0
 13 24  2  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  1  0  0  0
 16 17  1  0  0  0  0
 16 27  1  6  0  0  0
 17 29  1  6  0  0  0
 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (179)
1982

>  <Formula> (179)
C20H24O11

>  <MolWeight> (179)
440.39796

>  <Cat> (179)
S3781

>  <Name> (179)
Ginkgolide C

>  <Synonyms> (179)
BN-52022

>  <Target> (179)
Others

>  <Form> (179)
free base

>  <CAS> (179)
15291-76-6

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

$$$$
S3794 Palmitic acid.cdx
csChFnd80/06012110032D

 18 17  0  0  0  0  0  0  0  0999 V2000
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (180)
1986

>  <Formula> (180)
C16H32O2

>  <MolWeight> (180)
256.42408

>  <Cat> (180)
S3794

>  <Name> (180)
Palmitic acid

>  <Synonyms> (180)
hexadecanoic acid, Cetylic acid

>  <Target> (180)
Others

>  <Form> (180)
free base

>  <CAS> (180)
21096

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

$$$$
INCB28060.cdx
csChFnd80/06012110032D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2512    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7822    4.7401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6633    3.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1615    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7788    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8977    3.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5150    2.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6339    4.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1356    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5184    5.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3994    4.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 11 18  1  0  0  0  0
 12 16  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 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
 20 29  1  0  0  0  0
 24 29  1  0  0  0  0
 19 26  1  0  0  0  0
 18 19  1  0  0  0  0
  5 15  1  0  0  0  0
  9 30  1  0  0  0  0
  3 31  1  0  0  0  0
M  END
>  <Mol_ID> (181)
2003

>  <Formula> (181)
C23H17FN6O

>  <MolWeight> (181)
412.4190832

>  <Cat> (181)
S2788

>  <Name> (181)
Capmatinib (INCB28060)

>  <Synonyms> (181)
N/A

>  <Target> (181)
c-Met 

>  <Form> (181)
Free Base

>  <CAS> (181)
1029712-80-8

>  <URL> (181)
http://www.selleckchem.com/products/incb28060.html

$$$$
Torin 1.cdx
csChFnd80/06012110032D

 45 51  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  8 14  2  0  0  0  0
  9 11  2  0  0  0  0
  2 15  2  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 16 25  1  0  0  0  0
 20 25  1  0  0  0  0
 12 18  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 31  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 28 32  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 36 41  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 42 45  2  0  0  0  0
 39 42  1  0  0  0  0
 29 36  1  0  0  0  0
  1 26  1  0  0  0  0
M  END
>  <Mol_ID> (182)
2008

>  <Formula> (182)
C35H28F3N5O2

>  <MolWeight> (182)
607.6243296

>  <Cat> (182)
S2827

>  <Name> (182)
Torin 1

>  <Synonyms> (182)
N/A 

>  <Target> (182)
mTOR

>  <Form> (182)
Free Base

>  <CAS> (182)
1222998-36-8

>  <URL> (182)
http://www.selleckchem.com/products/torin-1.html

$$$$
TG 100713.cdx
csChFnd80/06012110032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (183)
2013

>  <Formula> (183)
C12H10N6O

>  <MolWeight> (183)
254.2474

>  <Cat> (183)
S2870

>  <Name> (183)
TG 100713

>  <Synonyms> (183)
N/A

>  <Target> (183)
PI3K

>  <Form> (183)
Free Base

>  <CAS> (183)
925705-73-3

>  <URL> (183)
http://www.selleckchem.com/products/tg-100713.html

$$$$
KY02111.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (184)
2016

>  <Formula> (184)
C18H17ClN2O3S

>  <MolWeight> (184)
376.85718

>  <Cat> (184)
S7096

>  <Name> (184)
KY02111

>  <Synonyms> (184)
N/A

>  <Target> (184)
Wnt/beta-catenin

>  <Form> (184)
Free Base

>  <CAS> (184)
1118807-13-8

>  <URL> (184)
https://www.selleckchem.com/products/ky02111.html

$$$$
IPA-3.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (185)
2017

>  <Formula> (185)
C20H14O2S2

>  <MolWeight> (185)
350.45396

>  <Cat> (185)
S7093

>  <Name> (185)
IPA-3

>  <Synonyms> (185)
N/A

>  <Target> (185)
PAK

>  <Form> (185)
Free Base

>  <CAS> (185)
42521-82-4

>  <URL> (185)
https://www.selleckchem.com/products/ipa-3.html

$$$$
P505-15.cdx
csChFnd80/06012110032D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (186)
2022

>  <Formula> (186)
C19H24ClN9O

>  <MolWeight> (186)
429.90656

>  <Cat> (186)
S8032

>  <Name> (186)
PRT062607 (P505-15, PRT2607, BIIB057) HCl

>  <Synonyms> (186)
N/A

>  <Target> (186)
Syk

>  <Form> (186)
Hydrochloride

>  <CAS> (186)
1370261-97-4,1370261-96-3(free base)

>  <URL> (186)
https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

$$$$
XL888.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (187)
2027

>  <Formula> (187)
C29H37N5O3

>  <MolWeight> (187)
503.63578

>  <Cat> (187)
S7122

>  <Name> (187)
XL888

>  <Synonyms> (187)
N/A

>  <Target> (187)
HSP (e.g. HSP90)

>  <Form> (187)
Free Base

>  <CAS> (187)
1149705-71-4

>  <URL> (187)
https://www.selleckchem.com/products/xl888.html

$$$$
CGK 733.cdx
csChFnd80/06012110032D

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2030

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C23H18Cl3FN4O3S

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CGK 733

>  <Synonyms> (188)
N/A

>  <Target> (188)
ATM/ATR

>  <Form> (188)
Free Base

>  <CAS> (188)
905973-89-9

>  <URL> (188)
http://www.selleckchem.com/products/cgk-733.html

$$$$
GZD824.cdx
csChFnd80/06012110032D

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2046

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C31H35F3N6O7S2

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>  <Cat> (189)
S7194

>  <Name> (189)
GZD824 Dimesylate 

>  <Synonyms> (189)
N/A

>  <Target> (189)
Bcr-Abl

>  <Form> (189)
Mesylate

>  <CAS> (189)
1421783-64-3

>  <URL> (189)
http://www.selleckchem.com/products/gzd824.html

$$$$
RKI-1447.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (190)
2048

>  <Formula> (190)
C16H14N4O2S

>  <MolWeight> (190)
326.37296

>  <Cat> (190)
S7195

>  <Name> (190)
RKI-1447

>  <Synonyms> (190)
N/A

>  <Target> (190)
ROCK

>  <Form> (190)
Free Base

>  <CAS> (190)
1342278-01-6

>  <URL> (190)
http://www.selleckchem.com/products/rki-1447.html

$$$$
4'-Demethylepipodophyllotoxin.cdx
csChFnd80/06012110032D

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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  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> (191)
2063

>  <Formula> (191)
C21H20O8

>  <MolWeight> (191)
400.3787

>  <Cat> (191)
S2254

>  <Name> (191)
4'-Demethylepipodophyllotoxin

>  <Synonyms> (191)
DMEP

>  <Target> (191)
Microtubule Associated

>  <Form> (191)
free base

>  <CAS> (191)
6559-91-7

>  <URL> (191)
http://www.selleckchem.com/products/4-Demethylepipodophyllotoxin.html

$$$$
S5006 Teprenone.cdx
csChFnd80/06012110032D

 24 23  0  0  0  0  0  0  0  0999 V2000
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (192)
2196

>  <Formula> (192)
C23H38O

>  <MolWeight> (192)
330.54722

>  <Cat> (192)
S5006

>  <Name> (192)
Teprenone

>  <Synonyms> (192)
geranylgeranylacetone, Tetraprenylacetone

>  <Target> (192)
Others

>  <CAS> (192)
6809-52-5

>  <URL> (192)
http://selleckchem.com/products/teprenone.html

$$$$
S4953 Usnic acid.cdx
csChFnd80/06012110032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0222    2.1098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6216    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2721    1.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6633    0.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6216    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    1.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218    4.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4264    2.1163    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2721    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    4.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    0.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6445    1.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    3.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    5.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6395    4.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6445    0.0130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    6.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    6.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 15  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 17  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (193)
2213

>  <Formula> (193)
C18H16O7

>  <MolWeight> (193)
344.31544

>  <Cat> (193)
S4953

>  <Name> (193)
Usnic acid

>  <Synonyms> (193)
Usniacin

>  <Target> (193)
Others

>  <Form> (193)
free base

>  <CAS> (193)
125-46-2

>  <URL> (193)
http://selleckchem.com/products/usnic-acid.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/06012110032D

 68 74  0  0  0  0  0  0  0  0999 V2000
    6.9238    8.9622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0285    9.6191    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6762    9.6479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9525    7.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8666   10.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0475   11.0288    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3238    9.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0285    8.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5239    8.9905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6762   11.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7334    6.8383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.8666   11.7715    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2000   10.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4478   13.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    7.5812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0476    5.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2954   12.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1905   16.9907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1525   18.1717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   14.6477   11.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6000   16.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 61 63  1  6  0  0  0
 19 67  1  6  0  0  0
 48 68  1  6  0  0  0
M  END
>  <Mol_ID> (194)
2271

>  <Formula> (194)
C47H80O18

>  <MolWeight> (194)
933.1273

>  <Cat> (194)
S3785

>  <Name> (194)
Notoginsenoside R1

>  <Synonyms> (194)
Sanchinoside R1

>  <Target> (194)
Others

>  <Form> (194)
free base

>  <CAS> (194)
80418-24-2

>  <URL> (194)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
S3970 Vindoline.cdx
csChFnd80/06012110032D

 35 39  0  0  0  0  0  0  0  0999 V2000
    6.9216    5.7632    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1570    6.4913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9216    4.4617    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    4.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 35  1  1  0  0  0
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 10 20  1  0  0  0  0
 11 21  2  0  0  0  0
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 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (195)
2275

>  <Formula> (195)
C25H32N2O6

>  <MolWeight> (195)
456.53138

>  <Cat> (195)
S3970

>  <Name> (195)
Vindoline

>  <Synonyms> (195)
N/A

>  <Target> (195)
Microtubule Associated

>  <Form> (195)
free base

>  <CAS> (195)
2182-14-1

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

$$$$
Methyl-Hesperidin.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (196)
2284

>  <Formula> (196)
C29H36O15

>  <MolWeight> (196)
624.58714

>  <Cat> (196)
S2323

>  <Name> (196)
Methyl-Hesperidin

>  <Form> (196)
free base

>  <CAS> (196)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/06012110032D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.1148    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    3.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    5.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    7.4035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
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  6 10  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 13  2  0  0  0  0
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M  END
>  <Mol_ID> (197)
2285

>  <Formula> (197)
C19H19ClN6O4S3

>  <MolWeight> (197)
527.03996

>  <Cat> (197)
S1154

>  <Name> (197)
SNS-314 Mesylate

>  <Synonyms> (197)
N/A

>  <Target> (197)
Aurora Kinase

>  <Form> (197)
Mesylate

>  <CAS> (197)
1146618-41-8

>  <URL> (197)
http://www.selleckchem.com/products/SNS-314.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/06012110032D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (198)
2289

>  <Formula> (198)
C21H18O12

>  <MolWeight> (198)
462.36042

>  <Cat> (198)
S3810

>  <Name> (198)
Scutellarin

>  <Synonyms> (198)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (198)
Others

>  <Form> (198)
free base

>  <CAS> (198)
27740-01-8

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

$$$$
untitled.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (199)
2297

>  <Formula> (199)
C21H46NO4P

>  <MolWeight> (199)
407.568001

>  <Cat> (199)
S3056

>  <Name> (199)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (199)
N/A

>  <Target> (199)
Akt

>  <Form> (199)
Free Base

>  <CAS> (199)
58066-85-6

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

$$$$
NU7026.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (200)
2302

>  <Formula> (200)
C17H15NO3

>  <MolWeight> (200)
281.3059

>  <Cat> (200)
S2893

>  <Name> (200)
NU7026

>  <Synonyms> (200)
N/A

>  <Target> (200)
DNA-PK

>  <Form> (200)
Free Base

>  <CAS> (200)
154447-35-5

>  <URL> (200)
http://www.selleckchem.com/products/nu7026.html

$$$$
VE-821.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (201)
2318

>  <Formula> (201)
C18H16N4O3S

>  <MolWeight> (201)
368.40964

>  <Cat> (201)
S8007

>  <Name> (201)
VE-821

>  <Synonyms> (201)
N/A

>  <Target> (201)
ATM/ATR

>  <Form> (201)
Free Base

>  <CAS> (201)
1232410-49-9

>  <URL> (201)
http://www.selleckchem.com/products/ve-821.html

$$$$
RGD peptide.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (202)
2320

>  <Formula> (202)
C12H22N6O6

>  <MolWeight> (202)
346.33968

>  <Cat> (202)
S8008

>  <Name> (202)
RGD (Arg-Gly-Asp) Peptides

>  <Synonyms> (202)
Arginine-Glycine-Aspartic Acid

>  <Target> (202)
Integrase

>  <Form> (202)
Free Base

>  <CAS> (202)
99896-85-2

>  <URL> (202)
http://www.selleckchem.com/products/rgd-arg-gly-asp-peptides.html

$$$$
GSK2636771.cdx
csChFnd80/06012110032D

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1143532-39-1

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1201438-56-3

>  <URL> (205)
http://www.selleckchem.com/products/ipi-145-ink1197.html

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C18H16N2O2

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>  <Name> (207)
(-)-Blebbistatin

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N/A

>  <Target> (207)
ATPase

>  <Form> (207)
Free Base

>  <CAS> (207)
856925-71-8

>  <URL> (207)
https://www.selleckchem.com/products/blebbistatin.html

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2370

>  <Formula> (208)
C24H32N6O3

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GDC-0349

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RG7603

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mTOR

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1207360-89-1

>  <URL> (208)
https://www.selleckchem.com/products/gdc-0349.html

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2376

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SAR245408

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PI3K 

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Free Base

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956958-53-5

>  <URL> (209)
http://www.selleckchem.com/products/XL147.html

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>  <Formula> (210)
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>  <Target> (210)
Akt

>  <Form> (210)
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>  <CAS> (210)
157716-52-4

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

$$$$
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M  END
>  <Mol_ID> (211)
2397

>  <Formula> (211)
C18H11N3O2S

>  <MolWeight> (211)
333.36384

>  <Cat> (211)
S1360

>  <Name> (211)
GSK1059615

>  <Synonyms> (211)
N/A

>  <Target> (211)
PI3K, mTOR

>  <Form> (211)
Free Base

>  <CAS> (211)
958852-01-2

>  <URL> (211)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
CCT129202.cdx
csChFnd80/06012110032D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 33 34  1  0  0  0  0
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M  END
>  <Mol_ID> (212)
2411

>  <Formula> (212)
C23H25ClN8OS

>  <MolWeight> (212)
497.0156

>  <Cat> (212)
S1519

>  <Name> (212)
CCT129202

>  <Synonyms> (212)
N/A

>  <Target> (212)
Aurora Kinase

>  <Form> (212)
Free Base

>  <CAS> (212)
942947-93-5

>  <URL> (212)
http://www.selleckchem.com/products/CCT129202.html

$$$$
NU-7441(KU-57788).cdx
csChFnd80/06012110032D

 30 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (213)
2455

>  <Formula> (213)
C25H19NO3S

>  <MolWeight> (213)
413.48826

>  <Cat> (213)
S2638

>  <Name> (213)
NU7441(KU-57788)

>  <Synonyms> (213)
N/A 

>  <Target> (213)
DNA-PK, PI3K

>  <Form> (213)
Free Base

>  <CAS> (213)
503468-95-9 

>  <URL> (213)
http://www.selleckchem.com/products/nu7441.html

$$$$
Disodium Cromoglycate.cdx
csChFnd80/06012110032D

 36 37  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (214)
2463

>  <Formula> (214)
C23H14Na2O11

>  <MolWeight> (214)
512.3302

>  <Cat> (214)
S1911

>  <Name> (214)
Disodium Cromoglycate

>  <Synonyms> (214)
Gynazole

>  <Target> (214)
Calcium Channel

>  <Form> (214)
Disodium Salt

>  <CAS> (214)
15826-37-6

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

$$$$
Flubendazole.cdx
csChFnd80/06012110032D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (215)
2466

>  <Formula> (215)
C16H12FN3O3

>  <MolWeight> (215)
313.2831832

>  <Cat> (215)
S1837

>  <Name> (215)
Flubendazole (Flutelmium)

>  <Synonyms> (215)
N/A 

>  <Target> (215)
Others

>  <Form> (215)
Free Base

>  <CAS> (215)
31430-15-6

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

$$$$
CCT137690.cdx
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C26H31BrN8O

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CCT137690

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N/A

>  <Target> (216)
Aurora Kinase

>  <Form> (216)
Free Base

>  <CAS> (216)
1095382-05-0

>  <URL> (216)
http://www.selleckchem.com/products/cct137690.html

$$$$
Wnt-C59 (C59).cdx
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>  <Mol_ID> (217)
2476

>  <Formula> (217)
C25H21N3O

>  <MolWeight> (217)
379.45374

>  <Cat> (217)
S7037

>  <Name> (217)
Wnt-C59 (C59)

>  <Synonyms> (217)
N/A

>  <Target> (217)
Wnt/beta-catenin

>  <Form> (217)
Free Base

>  <CAS> (217)
1243243-89-1

>  <URL> (217)
http://www.selleckchem.com/products/wnt-c59-c59.html

$$$$
Nefopam HCl.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (218)
2479

>  <Formula> (218)
C17H20ClNO

>  <MolWeight> (218)
289.7998

>  <Cat> (218)
S4180

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Nefopam HCl

>  <Synonyms> (218)
N/A

>  <Target> (218)
Others

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Hydrochloride

>  <CAS> (218)
23327-57-3

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

$$$$
SC79.cdx
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2492

>  <Formula> (219)
C17H17ClN2O5

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>  <Name> (219)
SC79

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N/A

>  <Target> (219)
Akt

>  <Form> (219)
Free Base

>  <CAS> (219)
305834-79-1

>  <URL> (219)
http://www.selleckchem.com/products/sc79.html

$$$$
LM-3632.cdx
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N/A

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Integrin

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ditrifluoroacetic acid

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250612-42-1

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

$$$$
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>  <Target> (221)
Dynamin

>  <Form> (221)
Free Base

>  <CAS> (221)
1256493-34-1

>  <URL> (221)
http://www.selleckchem.com/products/dyngo-4a.html

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>  <URL> (222)
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N/A

>  <Target> (223)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (223)
Free Base

>  <CAS> (223)
1627494-13-6

>  <URL> (223)
http://www.selleckchem.com/products/azd8186.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/06012110032D

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C24H28N8O2

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GDC-0032

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RG7604

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PI3K

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Free Base

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1282512-48-4

>  <URL> (224)
http://www.selleckchem.com/products/gdc-0032.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/06012110032D

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2531

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C11H10N2O2S

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S7914

>  <Name> (225)
Isoxazole 9 (ISX-9)

>  <Synonyms> (225)
N/A

>  <Target> (225)
Others

>  <Form> (225)
Free Base

>  <CAS> (225)
832115-62-5

>  <URL> (225)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
MMAE.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (226)
2533

>  <Formula> (226)
C39H67N5O7

>  <MolWeight> (226)
717.97858

>  <Cat> (226)
S7721

>  <Name> (226)
Monomethyl auristatin E (MMAE)

>  <Synonyms> (226)
N/A

>  <Target> (226)
Microtubule Associated

>  <Form> (226)
Free Base

>  <CAS> (226)
474645-27-7

>  <URL> (226)
http://www.selleckchem.com/products/monomethyl-auristatin-e-mmae.html

$$$$
AZD6738.cdx
csChFnd80/06012110032D

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http://www.selleck.cn/products/tic-10.html

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PI3K

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1608125-21-8

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http://www.selleckchem.com/products/amg319.html

$$$$
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csChFnd80/06012110032D

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C6H13NO2

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L-Leucine

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(S)-Leucine, Leu

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free base

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61-90-5

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http://www.selleckchem.com/products/l-leucine.html

$$$$
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AZD1080

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N/A

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GSK-3

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Free Base

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612487-72-6

>  <URL> (233)
http://www.selleckchem.com/products/azd1080.html

$$$$
SKI II (SphK-I2).cdx
csChFnd80/06012110032D

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C15H11ClN2OS

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SKI II

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SphK-I2, Sphingosine Kinase Inhibitor 2

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S1P Receptor

>  <Form> (234)
Free Base

>  <CAS> (234)
312636-16-1

>  <URL> (234)
http://www.selleckchem.com/products/ski-ii.html

$$$$
GSK2334470.cdx
csChFnd80/06012110032D

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GSK2334470

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PDK-1

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1227911-45-6

>  <URL> (235)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/06012110032D

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TIC10 analogue

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TRAIL-inducing Compound 10

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Akt

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41276-02-2

>  <URL> (236)
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$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/06012110032D

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>  <Mol_ID> (237)
2625

>  <Formula> (237)
C16H10BrN3O2

>  <MolWeight> (237)
356.1735

>  <Cat> (237)
S7198

>  <Name> (237)
BIO

>  <Synonyms> (237)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (237)
GSK-3

>  <Form> (237)
Free Base

>  <CAS> (237)
667463-62-9

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

$$$$

csChFnd80/06012110032D

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>  <Mol_ID> (238)
2626

>  <Formula> (238)
C18H19Na2O8P

>  <MolWeight> (238)
440.291961

>  <Cat> (238)
S7204

>  <Name> (238)
Fosbretabulin (Combretastatin A4 Phosphate, 

>  <Synonyms> (238)
N/A

>  <Target> (238)
Microtubule Associated

>  <Form> (238)
Disodium salt

>  <CAS> (238)
168555-66-6

>  <URL> (238)
http://www.selleckchem.com/products/fosbretabulin-disodium-combretastatin-a-4-phosphate-dis

$$$$
AZD2858.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (239)
2632

>  <Formula> (239)
C21H23N7O3S

>  <MolWeight> (239)
453.51742

>  <Cat> (239)
S7253

>  <Name> (239)
AZD2858

>  <Synonyms> (239)
N/A

>  <Target> (239)
GSK-3

>  <Form> (239)
Free Base

>  <CAS> (239)
486424-20-8

>  <URL> (239)
http://www.selleckchem.com/products/azd2858.html

$$$$
dynasore .cdx
csChFnd80/06012110032D

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>  <Mol_ID> (240)
2635

>  <Formula> (240)
C18H14N2O4

>  <MolWeight> (240)
322.31476

>  <Cat> (240)
S8047

>  <Name> (240)
Dynasore

>  <Synonyms> (240)
N/A

>  <Target> (240)
Dynamin

>  <Form> (240)
Free Base

>  <CAS> (240)
304448-55-3

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

$$$$
Ro 31-8220 mesylate.cdx
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Bisindolylmaleimide IX Mesylate

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PKC

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Mesylate

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138489-18-6

>  <URL> (241)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

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PI3K

>  <Form> (242)
Free Base

>  <CAS> (242)
1159824-67-5

>  <URL> (242)
http://www.selleckchem.com/products/czc24832.html

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ETP-46464

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N/A

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mTOR

>  <Form> (243)
Free Base

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1345675-02-6

>  <URL> (243)
http://www.selleckchem.com/products/etp-46464.html

$$$$
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mTOR

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Free Base

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1251156-08-7

>  <URL> (244)
http://www.selleckchem.com/products/xl388.html

$$$$
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   15.0522    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5961    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4190    5.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5961    6.2597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0919    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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 11 12  1  0  0  0  0
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 15 10  1  0  0  0  0
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 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 16  2  0  0  0  0
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 24 20  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (245)
2650

>  <Formula> (245)
C24H27Cl2N5O

>  <MolWeight> (245)
472.41008

>  <Cat> (245)
S7306

>  <Name> (245)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (245)
BML-275,Compound C

>  <Target> (245)
AMPK

>  <Form> (245)
Dihydrochloride

>  <CAS> (245)
1219168-18-9

>  <URL> (245)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
Carbenoxolone disodiuM.cdx
csChFnd80/06012110032D

 45 47  0  0  0  0  0  0  0  0999 V2000
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   14.4975    6.2854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4975    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2851    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7100    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7100    8.3854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 18 12  1  0  0  0  0
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  5 30  1  1  0  0  0
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 31 37  1  0  0  0  0
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M  END
>  <Mol_ID> (246)
2669

>  <Formula> (246)
C34H48Na2O7

>  <MolWeight> (246)
614.72026

>  <Cat> (246)
S4368

>  <Name> (246)
Carbenoxolone disodiuM

>  <Synonyms> (246)
N/A

>  <Target> (246)
Others

>  <Form> (246)
disodiuM

>  <CAS> (246)
7421-40-1

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

$$$$
Mdivi-1.cdx
csChFnd80/06012110032D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    4.8497    2.1213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (247)
2724

>  <Formula> (247)
C15H10Cl2N2O2S

>  <MolWeight> (247)
353.2231

>  <Cat> (247)
S7162

>  <Name> (247)
Mdivi-1

>  <Synonyms> (247)
N/A

>  <Target> (247)
Dynamin

>  <Form> (247)
Free Base

>  <CAS> (247)
338967-87-6

>  <URL> (247)
http://www.selleckchem.com/products/mdivi-1.html

$$$$
PF-562271.cdx
csChFnd80/06012110032D

 36 38  0  0  0  0  0  0  0  0999 V2000
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 34 30  1  0  0  0  0
 33 35  2  0  0  0  0
M  END
>  <Mol_ID> (248)
2732

>  <Formula> (248)
C21H21ClF3N7O3S

>  <MolWeight> (248)
543.9497496

>  <Cat> (248)
S7357

>  <Name> (248)
PF-562271 HCl

>  <Synonyms> (248)
N/A

>  <Target> (248)
FAK

>  <Form> (248)
Hydrochloride

>  <URL> (248)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
WZ4003.cdx
csChFnd80/06012110032D

 35 38  0  0  0  0  0  0  0  0999 V2000
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AMPK

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Free Base

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1214265-58-3

>  <URL> (249)
http://www.selleckchem.com/products/wz4003.html

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N/A

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Wnt/beta-catenin

>  <Form> (250)
Free Base

>  <CAS> (250)
1243244-14-5

>  <URL> (250)
http://www.selleckchem.com/products/lgk-974.html

$$$$
AZ20.cdx
csChFnd80/06012110032D

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2745

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AZ20

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N/A

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ATM/ATR

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Free Base

>  <CAS> (251)
1233339-22-4

>  <URL> (251)
http://www.selleckchem.com/products/az20.html

$$$$
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IWP L6

>  <Synonyms> (252)
Porcn Inhibitor III

>  <Target> (252)
Wnt/beta-catenin

>  <Form> (252)
Free Base

>  <CAS> (252)
1427782-89-5

>  <URL> (252)
http://www.selleckchem.com/products/iwp-l6.html

$$$$
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838818-26-1

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747413-08-7

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http://www.selleckchem.com/products/ver-50589.html

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108409-83-2

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 15  2  1  0  0  0  0
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M  END
>  <Mol_ID> (275)
2868

>  <Formula> (275)
C24H18N4O

>  <MolWeight> (275)
378.42592

>  <Cat> (275)
S7119

>  <Name> (275)
Go6976

>  <Synonyms> (275)
N/A

>  <Target> (275)
PKC

>  <Form> (275)
Free Base

>  <CAS> (275)
136194-77-9

>  <URL> (275)
http://www.selleckchem.com/products/go6976.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/06012110032D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 14  6  1  0  0  0  0
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M  END
>  <Mol_ID> (276)
2872

>  <Formula> (276)
C19H17NO3

>  <MolWeight> (276)
307.34318

>  <Cat> (276)
S7310

>  <Name> (276)
SF1670 (PTEN inhibitor)

>  <Synonyms> (276)
N/A

>  <Target> (276)
PTEN

>  <Form> (276)
Free Base

>  <CAS> (276)
345630-40-2

>  <URL> (276)
http://www.selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/06012110032D

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 18  8  1  0  0  0  0
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 10 28  1  0  0  0  0
M  END
>  <Mol_ID> (277)
2873

>  <Formula> (277)
C22H20FN3O2

>  <MolWeight> (277)
377.4115032

>  <Cat> (277)
S7566

>  <Name> (277)
IM-12

>  <Synonyms> (277)
N/A

>  <Target> (277)
GSK-3

>  <Form> (277)
Free Base

>  <CAS> (277)
1129669-05-1

>  <URL> (277)
http://www.selleckchem.com/products/im-12.html

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/06012110032D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (278)
2877

>  <Formula> (278)
C20H18FN5O2

>  <MolWeight> (278)
379.3876232

>  <Cat> (278)
S7097

>  <Name> (278)
HSP990 (NVP-HSP990)

>  <Synonyms> (278)
N/A

>  <Target> (278)
HSP (e.g. HSP90)

>  <Form> (278)
Free Base

>  <CAS> (278)
934343-74-5

>  <URL> (278)
http://www.selleckchem.com/products/hsp990-nvp-hsp990.html

$$$$
ARQ 621.cdx
csChFnd80/06012110032D

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VS-6063, PF-04554878

>  <Target> (287)
FAK

>  <Form> (287)
Free Base

>  <CAS> (287)
1073154-85-4

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

$$$$
TAI-1.cdx
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>  <Mol_ID> (288)
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>  <Formula> (288)
C24H21N3O3S

>  <MolWeight> (288)
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>  <Cat> (288)
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>  <Name> (288)
TAI-1

>  <Synonyms> (288)
N/A

>  <Target> (288)
Microtubule Associated

>  <Form> (288)
Free Base

>  <CAS> (288)
1334921-03-7

>  <URL> (288)
http://www.selleckchem.com/products/tai-1.html

$$$$
PI-3065.cdx
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>  <Formula> (289)
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>  <MolWeight> (289)
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>  <Cat> (289)
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>  <Name> (289)
PI-3065

>  <Synonyms> (289)
N/A

>  <Target> (289)
PI3K

>  <Form> (289)
Free Base

>  <CAS> (289)
955977-50-1

>  <URL> (289)
http://www.selleckchem.com/products/pi-3065.html

$$$$
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>  <Mol_ID> (290)
2979

>  <Formula> (290)
C9H9BrN2O3

>  <MolWeight> (290)
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>  <Cat> (290)
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>  <Name> (290)
Bikinin

>  <Synonyms> (290)
N/A

>  <Target> (290)
GSK-3

>  <Form> (290)
Free Base

>  <CAS> (290)
188011-69-0

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

$$$$
LY2090314.cdx
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>  <Form> (291)
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>  <CAS> (291)
603288-22-8

>  <URL> (291)
http://www.selleckchem.com/products/ly2090314.html

$$$$
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205678-31-5

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http://www.selleckchem.com/products/sb273005.html

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>  <Mol_ID> (293)
3002

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Docetaxel Trihydrate

>  <Synonyms> (293)
RP56976 (NSC 628503) Trihydrate

>  <Target> (293)
Microtubule Associated

>  <Form> (293)
Trihydrate

>  <CAS> (293)
148408-66-6

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

$$$$
LM-3573.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (294)
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Dasatinib Monohydrate

>  <Synonyms> (294)
BMS-354825 Monohydrate

>  <Target> (294)
Src

>  <Form> (294)
Monohydrate

>  <CAS> (294)
863127-77-9

>  <URL> (294)
http://www.selleckchem.com/products/dasatinib-monohydrate.html

$$$$
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PAK

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1286739-19-2

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http://www.selleckchem.com/products/frax597.html

$$$$
Combretastatin A4.cdx
csChFnd80/06012110032D

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3019

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C18H20O5

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Combretastatin A4

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N/A

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Microtubule Associated

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Free Base

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117048-59-6

>  <URL> (296)
http://www.selleckchem.com/products/combretastatin-a4.html

$$$$
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3027

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C18H17Cl2FN4OS

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N/A

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Akt

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Free Base

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1047644-62-1

>  <URL> (297)
http://www.selleckchem.com/products/afuresertib-gsk2110183.html

$$$$
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>  <CAS> (298)
1394076-92-6

>  <URL> (298)
http://www.selleckchem.com/products/gne-317.html

$$$$
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218924-25-5

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VER155008

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C07

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HSP (e.g. HSP90)

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Free Base

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1134156-31-2

>  <URL> (304)
http://www.selleckchem.com/products/ver155008.html

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C26H28N8O

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HTH-01-015

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AMPK

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Free Base

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1613724-42-7

>  <URL> (305)
http://www.selleckchem.com/products/hth-01-015.html

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csChFnd80/06012110032D

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AMPK

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Free Base

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866405-64-3

>  <URL> (306)
http://www.selleckchem.com/products/dorsomorphin.html

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Cilengitide trifluoroacetate

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Integrin

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Trifluoroacetat

>  <CAS> (307)
188968-51-6

>  <URL> (307)
http://www.selleckchem.com/products/cilengitide-emd-121974-nsc-707544.html

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GSK621.cdx
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AMPK

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1346607-05-3

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http://www.selleckchem.com/products/gsk621.html

$$$$
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N/A

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PI3K

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Free Base

>  <CAS> (309)
934493-76-2

>  <URL> (309)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

$$$$
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 31 38  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (310)
3109

>  <Formula> (310)
C27H21F3N8O

>  <MolWeight> (310)
530.5038496

>  <Cat> (310)
S8134

>  <Name> (310)
Radotinib

>  <Synonyms> (310)
IY-5511

>  <Target> (310)
Bcr-Abl

>  <Form> (310)
Free Base

>  <CAS> (310)
926037-48-1

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

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/06012110032D

 25 24  0  0  0  0  0  0  0  0999 V2000
    9.9244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9244    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7742    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 21 22  1  1  0  0  0
M  END
>  <Mol_ID> (311)
3110

>  <Formula> (311)
C15H23ClFN3O4S

>  <MolWeight> (311)
395.8772232

>  <Cat> (311)
S7995

>  <Name> (311)
Ripasudil (K-115)

>  <Synonyms> (311)
N/A

>  <Target> (311)
ROCK

>  <Form> (311)
Hydrochloride dihydrate

>  <CAS> (311)
887375-67-9

>  <URL> (311)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
GNF-7.cdx
csChFnd80/06012110032D

 40 44  0  0  0  0  0  0  0  0999 V2000
    2.4249    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3990    9.1000    0.0000 F   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
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 10  5  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
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 23 24  2  0  0  0  0
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 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
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 29 30  1  0  0  0  0
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 36 30  1  0  0  0  0
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 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
>  <Mol_ID> (312)
3115

>  <Formula> (312)
C28H24F3N7O2

>  <MolWeight> (312)
547.5310696

>  <Cat> (312)
S8140

>  <Name> (312)
GNF-7

>  <Synonyms> (312)
N/A

>  <Target> (312)
Bcr-Abl

>  <Form> (312)
Free Base

>  <CAS> (312)
839706-07-9

>  <URL> (312)
http://www.selleckchem.com/products/gnf-7.html

$$$$
Cucurbitacin B.cdx
csChFnd80/06012110032D

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8497    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    5.4124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.3449    6.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8407    8.7991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6511    5.6779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0205    5.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9573    4.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3267    5.2196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (313)
3117

>  <Formula> (313)
C32H46O8

>  <MolWeight> (313)
558.70284

>  <Cat> (313)
S8165

>  <Name> (313)
Cucurbitacin B

>  <Synonyms> (313)
N/A

>  <Target> (313)
Microtubule Associated

>  <Form> (313)
Free Base

>  <CAS> (313)
6199-67-3

>  <URL> (313)
http://www.selleckchem.com/products/cucurbitacin-b.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/06012110032D

 34 38  0  0  0  0  0  0  0  0999 V2000
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3121

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C26H24N6O2

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>  <Target> (314)
ROCK

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Free Base

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911417-87-3

>  <URL> (314)
http://www.selleckchem.com/products/kd025-(slx-2119).html

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C21H27N5O3

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CC-223

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N/A

>  <Target> (315)
mTOR

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Free Base

>  <CAS> (315)
1228013-30-6

>  <URL> (315)
http://www.selleckchem.com/products/cc-223.html

$$$$
GSK2141795.cdx
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3138

>  <Formula> (316)
C18H16Cl2F2N4O2

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S7492

>  <Name> (316)
Uprosertib (GSK2141795)

>  <Synonyms> (316)
GSK795

>  <Target> (316)
Akt

>  <Form> (316)
Free Base

>  <CAS> (316)
1047634-65-0

>  <URL> (316)
http://www.selleckchem.com/products/gsk2141795.html

$$$$
Wnt agonist 1 HCl.cdx
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>  <Mol_ID> (317)
3139

>  <Formula> (317)
C19H19ClN4O3

>  <MolWeight> (317)
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>  <Cat> (317)
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>  <Name> (317)
Wnt agonist 1

>  <Synonyms> (317)
N/A

>  <Target> (317)
Wnt/beta-catenin

>  <Form> (317)
Hydrochloride

>  <CAS> (317)
853220-52-7(free-base)

>  <URL> (317)
http://www.selleckchem.com/products/wnt-agonist-1.html

$$$$
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M  END
>  <Mol_ID> (327)
3256

>  <Formula> (327)
C28H29ClN4O3

>  <MolWeight> (327)
505.00786

>  <Cat> (327)
S7663

>  <Name> (327)
LY333531 HCl

>  <Synonyms> (327)
Ruboxistaurin

>  <Target> (327)
PKC

>  <Form> (327)
hydrochloride

>  <CAS> (327)
169939-93-9

>  <URL> (327)
http://www.selleckchem.com/products/ly333531.html

$$$$
FRAX486.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (328)
3257

>  <Formula> (328)
C25H23Cl2FN6O

>  <MolWeight> (328)
513.3941232

>  <Cat> (328)
S7807

>  <Name> (328)
FRAX486

>  <Synonyms> (328)
N/A

>  <Target> (328)
PAK

>  <Form> (328)
Free Base

>  <CAS> (328)
1232030-35-1

>  <URL> (328)
http://www.selleckchem.com/products/frax486.html

$$$$
VO-Ohpic.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (329)
3262

>  <Formula> (329)
C12H15N2O11V

>  <MolWeight> (329)
414.1958

>  <Cat> (329)
S8174

>  <Name> (329)
VO-Ohpic trihydrate

>  <Synonyms> (329)
N/A

>  <Target> (329)
Others

>  <Form> (329)
trihydrate

>  <CAS> (329)
476310-60-8

>  <URL> (329)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
KYA1797K.cdx
csChFnd80/06012110032D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (330)
3271

>  <Formula> (330)
C17H11KN2O6S2

>  <MolWeight> (330)
442.50734

>  <Cat> (330)
S8327

>  <Name> (330)
KYA1797K

>  <Synonyms> (330)
N/A

>  <Target> (330)
Wnt/beta-catenin

>  <Form> (330)
potassium salt

>  <CAS> (330)
1956356-56-1

>  <URL> (330)
http://www.selleckchem.com/products/kya1797k.html

$$$$
AZD8835.cdx
csChFnd80/06012110032D

 34 37  0  0  0  0  0  0  0  0999 V2000
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3272

>  <Formula> (331)
C22H31N9O3

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469.54004

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S7966

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AZD8835

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PI3K

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Free Base

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1620576-64-8

>  <URL> (331)
http://www.selleckchem.com/products/azd8835.html

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Deguelin.cdx
csChFnd80/06012110032D

 31 35  0  0  0  0  0  0  0  0999 V2000
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3286

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C23H22O6

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Deguelin

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(-)-Deguelin, (-)-cis-Deguelin

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Akt

>  <Form> (332)
Free Base

>  <CAS> (332)
522-17-8

>  <URL> (332)
http://www.selleckchem.com/products/deguelin.html

$$$$
Leukadherin-1.cdx
csChFnd80/06012110032D

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3295

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C22H15NO4S2

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S8306

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Leukadherin-1

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N/A

>  <Target> (333)
Integrin

>  <Form> (333)
Free Base

>  <CAS> (333)
344897-95-6

>  <URL> (333)
http://www.selleckchem.com/products/leukadherin-1.html

$$$$
SKL2001.cdx
csChFnd80/06012110032D

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3301

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C14H14N4O3

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SKL2001

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N/A

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Wnt/beta-catenin

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909089-13-0

>  <URL> (334)
http://www.selleckchem.com/products/skl2001.html

$$$$
GSK269962.cdx
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M  END
>  <Mol_ID> (335)
3311

>  <Formula> (335)
C29H31ClN8O5

>  <MolWeight> (335)
607.06004

>  <Cat> (335)
S7687

>  <Name> (335)
GSK269962 HCl

>  <Synonyms> (335)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (335)
ROCK

>  <Form> (335)
hydrochloride

>  <CAS> (335)
850664-21-0(free base)

>  <URL> (335)
http://www.selleckchem.com/products/gsk269962.html

$$$$
ML-7.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (336)
3327

>  <Formula> (336)
C15H18ClIN2O2S

>  <MolWeight> (336)
452.73809

>  <Cat> (336)
S8388

>  <Name> (336)
ML-7 HCl

>  <Synonyms> (336)
N/A

>  <Target> (336)
Others

>  <Form> (336)
hydrochloride

>  <CAS> (336)
110448-33-4

>  <URL> (336)
http://www.selleckchem.com/products/ml-7.html

$$$$
CC-115.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (337)
3330

>  <Formula> (337)
C16H16N8O

>  <MolWeight> (337)
336.35124

>  <Cat> (337)
S7891

>  <Name> (337)
CC-115

>  <Synonyms> (337)
N/A

>  <Target> (337)
DNA-PK

>  <Form> (337)
Free Base

>  <CAS> (337)
1228013-15-7

>  <URL> (337)
http://www.selleckchem.com/products/cc-115.html

$$$$
CZ415.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (338)
3331

>  <Formula> (338)
C22H29N5O4S

>  <MolWeight> (338)
459.56176

>  <Cat> (338)
S8298

>  <Name> (338)
CZ415

>  <Synonyms> (338)
N/A

>  <Target> (338)
mTOR

>  <Form> (338)
Free Base

>  <CAS> (338)
1429639-50-8

>  <URL> (338)
http://www.selleckchem.com/products/cz415.html

$$$$
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 28  8  1  0  0  0  0
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 39 44  1  0  0  0  0
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M  END
>  <Mol_ID> (339)
3336

>  <Formula> (339)
C33H25F6N3O3

>  <MolWeight> (339)
625.5603192

>  <Cat> (339)
S8365

>  <Name> (339)
Apoptozole

>  <Synonyms> (339)
Apoptosis Activator VII

>  <Target> (339)
HSP

>  <Form> (339)
Free Base

>  <CAS> (339)
1054543-47-3

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

$$$$
Y-39983 HCl.cdx
csChFnd80/06012110032D

 24 24  0  0  0  0  0  0  0  0999 V2000
    9.6794    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8919    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8919    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3168    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7222   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  9  3  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  1  0  0  0
M  END
>  <Mol_ID> (340)
3338

>  <Formula> (340)
C16H18Cl2N4O

>  <MolWeight> (340)
353.24632

>  <Cat> (340)
S7935

>  <Name> (340)
Y-39983 HCl

>  <Synonyms> (340)
Y-33075 HCl

>  <Target> (340)
ROCK

>  <Form> (340)
dihydrochloride

>  <CAS> (340)
173897-44-4

>  <URL> (340)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/06012110032D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.4619    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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 10  3  1  0  0  0  0
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 13  8  1  0  0  0  0
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 14 15  1  0  0  0  0
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 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (341)
3342

>  <Formula> (341)
C21H20N2O3S

>  <MolWeight> (341)
380.4601

>  <Cat> (341)
S8448

>  <Name> (341)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (341)
N/A

>  <Target> (341)
ROCK

>  <Form> (341)
Free Base

>  <CAS> (341)
557782-81-7

>  <URL> (341)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
GSK2269557.cdx
csChFnd80/06012110032D

 33 38  0  0  0  0  0  0  0  0999 V2000
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 30 25  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (342)
3349

>  <Formula> (342)
C26H28N6O

>  <MolWeight> (342)
440.54012

>  <Cat> (342)
S7937

>  <Name> (342)
GSK2269557

>  <Synonyms> (342)
Nemiralisib

>  <Target> (342)
PI3K

>  <Form> (342)
Free Base

>  <CAS> (342)
1254036-71-9

>  <URL> (342)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
Monastrol.cdx
csChFnd80/06012110032D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (343)
3351

>  <Formula> (343)
C14H16N2O3S

>  <MolWeight> (343)
292.35344

>  <Cat> (343)
S8439

>  <Name> (343)
Monastrol

>  <Synonyms> (343)
N/A

>  <Target> (343)
Kinesin

>  <Form> (343)
Free Base

>  <CAS> (343)
329689-23-8

>  <URL> (343)
http://www.selleckchem.com/products/monastrol.html

$$$$
ARQ 092.cdx
csChFnd80/06012110032D

 34 38  0  0  0  0  0  0  0  0999 V2000
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Miransertib (ARQ 092)HCl

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Miransertib

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Akt

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hydrochloride

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1313883-00-9

>  <URL> (344)
http://www.selleckchem.com/products/arq-092.html

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HSP (e.g. HSP90)

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342639-96-7

>  <URL> (345)
http://www.selleckchem.com/products/kribb11.html

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PNU-74654

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N/A

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Wnt/beta-catenin

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Free Base

>  <CAS> (346)
113906-27-7

>  <URL> (346)
http://www.selleckchem.com/products/pnu-74654.html

$$$$
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BAY 1217389

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N/A

>  <Target> (347)
Kinesin

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Free Base

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1554458-53-5

>  <URL> (347)
http://www.selleckchem.com/products/bay-1217389.html

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M  END
>  <Mol_ID> (348)
3389

>  <Formula> (348)
C19H15N3O2

>  <MolWeight> (348)
317.3413

>  <Cat> (348)
S7954

>  <Name> (348)
CP21R7 (CP21)

>  <Synonyms> (348)
N/A

>  <Target> (348)
Wnt/beta-catenin

>  <Form> (348)
Free Base

>  <CAS> (348)
125314-13-8

>  <URL> (348)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/06012110032D

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xH2O
M  END
>  <Mol_ID> (349)
3394

>  <Formula> (349)
C14H18ClN3O3RS

>  <MolWeight> (349)
343.82902

>  <Cat> (349)
S8208

>  <Name> (349)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (349)
N/A

>  <Target> (349)
ROCK

>  <Form> (349)
hydrochloride

>  <CAS> (349)
155558-32-0 (HCl salt)

>  <URL> (349)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
TGR-1202.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (350)
3399

>  <Formula> (350)
C31H24F3N5O3

>  <MolWeight> (350)
571.5491696

>  <Cat> (350)
S8194

>  <Name> (350)
TGR-1202

>  <Synonyms> (350)
Rp-5264

>  <Target> (350)
PI3K

>  <Form> (350)
Free Base

>  <CAS> (350)
1532533-67-7

>  <URL> (350)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
LF3.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (351)
3408

>  <Formula> (351)
C20H24N4O2S2

>  <MolWeight> (351)
416.56016

>  <Cat> (351)
S8474

>  <Name> (351)
LF3

>  <Synonyms> (351)
N/A

>  <Target> (351)
Wnt/beta-catenin

>  <Form> (351)
Free Base

>  <CAS> (351)
664969-54-4

>  <URL> (351)
http://www.selleckchem.com/products/lf3.html

$$$$
GSK180736A.cdx
csChFnd80/06012110032D

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http://www.selleckchem.com/products/gdc-0326.html#s_ref

$$$$
Tirofiban Hydrochloride.cdx
csChFnd80/06012110032D

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C22H39ClN2O6S

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>  <Cat> (357)
S8594

>  <Name> (357)
Tirofiban Hydrochloride

>  <Synonyms> (357)
MK-383 Hydrochloride

>  <Target> (357)
GPIIb/IIIa

>  <Form> (357)
hydrochloride hydrate

>  <CAS> (357)
150915-40-5

>  <URL> (357)
http://www.selleckchem.com/products/tirofiban-hydrochlorid.html

$$$$
3BDO.cdx
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>  <Mol_ID> (358)
3446

>  <Formula> (358)
C18H17NO5

>  <MolWeight> (358)
327.33128

>  <Cat> (358)
S8317

>  <Name> (358)
3BDO

>  <Synonyms> (358)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (358)
FKBP1A

>  <Form> (358)
free base

>  <CAS> (358)
890405-51-3

>  <URL> (358)
http://www.selleckchem.com/products/3bdo.html

$$$$
SF2523.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (359)
3451

>  <Formula> (359)
C19H17NO5S

>  <MolWeight> (359)
371.40698

>  <Cat> (359)
S8589

>  <Name> (359)
SF2523

>  <Synonyms> (359)
N/A

>  <Target> (359)
DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

>  <Form> (359)
free base

>  <CAS> (359)
1174428-47-7

>  <URL> (359)
http://www.selleckchem.com/products/sf2523.html

$$$$
LM-5005.cdx
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>  <Mol_ID> (360)
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C25H31N5O4

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TRC051384

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>  <Target> (360)
HSP70

>  <Form> (360)
free base

>  <CAS> (360)
867164-40-7

>  <URL> (360)
http://www.selleckchem.com/products/trc051384.html

$$$$
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (361)
3458

>  <Formula> (361)
C23H35N9O8S

>  <MolWeight> (361)
597.6445

>  <Cat> (361)
S8454

>  <Name> (361)
ATN-161 (Ac-PHSCN-NH2)

>  <Synonyms> (361)
N/A

>  <Target> (361)
integrin ¦Á5¦Â1,¦Áv¦Â3

>  <Form> (361)
free base

>  <CAS> (361)
262438-43-7

>  <URL> (361)
http://www.selleckchem.com/products/atn-161.html

$$$$
TAK-117 (INK-1117,MLN-1117 ).cdx
csChFnd80/06012110032D

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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
  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 11 13  2  0  0  0  0
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 14 15  1  0  0  0  0
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 26 21  1  0  0  0  0
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M  END
>  <Mol_ID> (362)
3464

>  <Formula> (362)
C19H17N5O3

>  <MolWeight> (362)
363.36998

>  <Cat> (362)
S8581

>  <Name> (362)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (362)
N/A

>  <Target> (362)
PI3K¦Á 

>  <Form> (362)
Free base

>  <CAS> (362)
1268454-23-4

>  <URL> (362)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Autophinib.cdx
csChFnd80/06012110032D

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (363)
3469

>  <Formula> (363)
C14H11ClN6O3

>  <MolWeight> (363)
346.72854

>  <Cat> (363)
S8596

>  <Name> (363)
Autophinib

>  <Synonyms> (363)
N/A

>  <Target> (363)
autophagy

>  <Form> (363)
free base

>  <CAS> (363)
1644443-47-9

>  <URL> (363)
http://www.selleckchem.com/products/autophinib.html

$$$$
PF-06409577.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (364)
3493

>  <Formula> (364)
C19H16ClNO3

>  <MolWeight> (364)
341.78824

>  <Cat> (364)
S8335

>  <Name> (364)
PF-06409577

>  <Synonyms> (364)
N/A

>  <Target> (364)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (364)
free base

>  <CAS> (364)
1467057-23-3

>  <URL> (364)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
GNF-6231.cdx
csChFnd80/06012110032D

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Porcupine

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free base

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1243245-18-2

>  <URL> (365)
http://www.selleckchem.com/products/gnf-6231.html

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3524

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C23H26N2O2S

>  <MolWeight> (366)
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iCRT3

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>  <Target> (366)
Wnt/¦Â-catenin

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free base

>  <CAS> (366)
901751-47-1

>  <URL> (366)
http://www.selleckchem.com/products/icrt3.html

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C38H44N2O6

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S5144

>  <Name> (367)
Neferine

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(R)-1,2-Dimethoxyaporphine

>  <Target> (367)
Others

>  <Form> (367)
free base

>  <CAS> (367)
2292-16-2

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

$$$$
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3565

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C25H25N7O2

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IPI-3063

>  <Synonyms> (368)
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p110¦Ä

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free base

>  <CAS> (368)
1425043-73-7

>  <URL> (368)
http://www.selleckchem.com/products/ipi-3063.html

$$$$
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3639

>  <Formula> (369)
C26H20N6O

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432.4766

>  <Cat> (369)
S8645

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IWP-O1

>  <Synonyms> (369)
N/A

>  <Target> (369)
Wnt/beta-catenin

>  <Form> (369)
free base

>  <CAS> (369)
2074607-48-8

>  <URL> (369)
http://selleckchem.com/products/iwp-O1.html

$$$$
SNS-314.cdx
csChFnd80/06012110032D

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3667

>  <Formula> (370)
C18H15ClN6OS2

>  <MolWeight> (370)
430.9343

>  <Cat> (370)
S8699

>  <Name> (370)
SNS-314 Mesylate

>  <Synonyms> (370)
N/A

>  <Target> (370)
Aurora Kinase

>  <CAS> (370)
1057249-41-8

>  <URL> (370)
http://selleckchem.com/products/sns-314.html

$$$$
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>  <Mol_ID> (371)
3676

>  <Formula> (371)
C35H29F3N4O3

>  <MolWeight> (371)
610.6249696

>  <Cat> (371)
S8444

>  <Name> (371)
KPT-9274

>  <Synonyms> (371)
N/A

>  <Target> (371)
NAMPT,PAK

>  <Form> (371)
free base

>  <CAS> (371)
1643913-93-2

>  <URL> (371)
http://selleckchem.com/products/kpt-9274.html

$$$$
Asciminib(ABL001).cdx
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M  END
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3682

>  <Formula> (372)
C20H18ClF2N5O3

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Asciminib (ABL001)

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N/A

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Bcr-Abl

>  <Form> (372)
free base

>  <CAS> (372)
1492952-76-7

>  <URL> (372)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/06012110032D

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3683

>  <Formula> (373)
C23H18FN5O2

>  <MolWeight> (373)
415.4197232

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S8672

>  <Name> (373)
Tenalisib (RP6530)

>  <Synonyms> (373)
N/A

>  <Target> (373)
PI3K

>  <Form> (373)
free base

>  <CAS> (373)
1639417-53-0

>  <URL> (373)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
S5321 Y15.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (374)
3748

>  <Formula> (374)
C6H14Cl4N4

>  <MolWeight> (374)
284.01416

>  <Cat> (374)
S5321

>  <Name> (374)
Y15

>  <Synonyms> (374)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (374)
FAK

>  <Form> (374)
tetrahydrochloride 

>  <CAS> (374)
4506-66-5

>  <URL> (374)
http://selleckchem.com/products/y15.html

$$$$
S5313 SC66.cdx
csChFnd80/06012110032D

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3761

>  <Formula> (375)
C18H16N2O

>  <MolWeight> (375)
276.33244

>  <Cat> (375)
S5313

>  <Name> (375)
SC66

>  <Synonyms> (375)
N/A

>  <Target> (375)
Akt

>  <Form> (375)
free base

>  <CAS> (375)
871361-88-5

>  <URL> (375)
http://selleckchem.com/products/sc66.html

$$$$
AZD1390.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (376)
3767

>  <Formula> (376)
C27H32FN5O2

>  <MolWeight> (376)
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>  <Cat> (376)
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>  <Name> (376)
AZD1390

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N/A

>  <Target> (376)
ATM/ATR

>  <Form> (376)
free base

>  <CAS> (376)
2089288-03-7

>  <URL> (376)
http://selleckchem.com/products/azd1390.html

$$$$
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csChFnd80/06012110032D

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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 10 19  1  6  0  0  0
 12 20  1  1  0  0  0
  9 21  1  1  0  0  0
 11 22  1  6  0  0  0
  5 23  1  1  0  0  0
 17 24  2  0  0  0  0
 24 25  1  4  0  0  0
 16 26  2  0  0  0  0
M  END
>  <Mol_ID> (377)
3828

>  <Formula> (377)
C21H28O2

>  <MolWeight> (377)
312.44582

>  <Cat> (377)
S3792

>  <Name> (377)
Guggulsterone E&Z

>  <Synonyms> (377)
N/A

>  <Target> (377)
FXR

>  <Form> (377)
free base

>  <CAS> (377)
95975-55-6

>  <URL> (377)
http://selleckchem.com/products/guggulsterone.html

$$$$
S5256 Benproperine phosphate.cdx
csChFnd80/06012110032D

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.4512    0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4521    2.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6637    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    2.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    2.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8786    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    4.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0742    0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8777    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    4.9179    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2608    0.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    2.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    6.3168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0923    4.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2608    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1009    6.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    6.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0998    8.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    8.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8795    9.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1205    4.0206    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.5205    4.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1205    2.6206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7205    4.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1205    5.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
M  END
>  <Mol_ID> (378)
3862

>  <Formula> (378)
C21H30NO5P

>  <MolWeight> (378)
407.440361

>  <Cat> (378)
S5256

>  <Name> (378)
Benproperine phosphate

>  <Synonyms> (378)
Blascorid, Pirexyl phosphate

>  <Target> (378)
Others

>  <Form> (378)
phosphate 

>  <CAS> (378)
19428-14-9

>  <URL> (378)
http://selleckchem.com/products/benproperine-phosphate.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/06012110032D

 24 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (379)
3885

>  <Formula> (379)
C22H42O2

>  <MolWeight> (379)
338.56768

>  <Cat> (379)
S5383

>  <Name> (379)
Erucic acid

>  <Synonyms> (379)
cis-13-docosenoic acid

>  <Target> (379)
Others

>  <Form> (379)
free base

>  <CAS> (379)
112-86-7

>  <URL> (379)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5422 Trimethyloctadecylammonium bromide.cdx
csChFnd80/06012110032D

 23 21  0  0  0  0  0  0  0  0999 V2000
   18.2225    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0175    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4273    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8405    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6696    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5705    2.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9304    2.0858    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.3936    1.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6590    0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2299    3.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5369    3.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1606    1.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0119    1.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7510    1.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5742    1.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3320    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1550    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8942    1.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799    1.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4469    1.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2701    1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5223    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (380)
3894

>  <Formula> (380)
C21H46BrN

>  <MolWeight> (380)
392.50064

>  <Cat> (380)
S5422

>  <Name> (380)
Trimethyloctadecylammonium bromide

>  <Synonyms> (380)
Octadecyltrimethylammonium bromide

>  <Target> (380)
Dynamin

>  <Form> (380)
bromide 

>  <CAS> (380)
1120-02-1

>  <URL> (380)
http://selleckchem.com/products/trimethyloctadecylammonium-bromide.html

$$$$
S5456 Isobavachalcone.cdx
csChFnd80/06012110032D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.2942    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2942    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0733    4.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7237    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5155    0.0443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    1.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9320    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6313    4.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104    2.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1404    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3613    4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8414    4.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (381)
3920

>  <Formula> (381)
C20H20O4

>  <MolWeight> (381)
324.3704

>  <Cat> (381)
S5456

>  <Name> (381)
Isobavachalcone

>  <Synonyms> (381)
Corylifolinin

>  <Target> (381)
Anti-infection

>  <Form> (381)
free base

>  <CAS> (381)
20784-50-3

>  <URL> (381)
http://selleckchem.com/products/isobavachalcone.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/06012110032D

 44 47  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    7.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    8.4089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    7.7088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3081    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9127    5.6077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1259    6.3082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4868    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6985    3.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.2081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2685    3.5047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2685    2.0984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4837    1.3968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6956    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9036    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    9.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   10.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127    4.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3387    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5510    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7635    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9759    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    6.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1886    8.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9782    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6138    8.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6133    5.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
  3  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  1  0  0  0
 25 28  1  6  0  0  0
 24 29  1  1  0  0  0
 23 30  1  1  0  0  0
 22 20  1  6  0  0  0
 17 20  1  1  0  0  0
 31 32  1  0  0  0  0
 15 31  1  1  0  0  0
 18 33  1  6  0  0  0
 35 36  1  0  0  0  0
 34 35  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 37 42  2  0  0  0  0
 40 43  1  0  0  0  0
 39 44  1  0  0  0  0
 36 37  1  0  0  0  0
 19 34  1  1  0  0  0
 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (382)
3922

>  <Formula> (382)
C29H36O15

>  <MolWeight> (382)
624.58714

>  <Cat> (382)
S5458

>  <Name> (382)
Verbascoside

>  <Synonyms> (382)
Acteoside, Kusaginin

>  <Target> (382)
Immunology & Inflammation related

>  <Form> (382)
free base

>  <CAS> (382)
61276-17-3

>  <URL> (382)
http://selleckchem.com/products/verbascoside.html

$$$$
S5522 S-Trityl-L-cysteine.cdx
csChFnd80/06012110032D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.3997    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3997    1.7751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6998    2.9874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2998    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5998    4.1999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6997    5.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7997    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    8.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 10 21  2  0  0  0  0
 11 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 11 26  2  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <Mol_ID> (383)
3950

>  <Formula> (383)
C22H21NO2S

>  <MolWeight> (383)
363.47264

>  <Cat> (383)
S5522

>  <Name> (383)
H-Cys(Trt)-OH

>  <Synonyms> (383)
L-Cys(Trt)-OH, H-L-Cys(Trt)-OH, S-Tritylcysteine

>  <Target> (383)
Kinesin

>  <Form> (383)
free base

>  <CAS> (383)
328542

>  <URL> (383)
http://selleckchem.com/products/h-cys-trt-oh.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/06012110032D

 72 80  0  0  0  0  0  0  0  0999 V2000
   27.7632   15.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.7632   16.8217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.5586   14.7207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0955   14.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9166   14.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0955   17.2577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   17.5267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.9166   18.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3415   15.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   13.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9155   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5309   18.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3288   16.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5717   18.9228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   14.7207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.3415   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7109   19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8633   19.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.9075   15.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5696   20.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8763   20.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9075   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6904   14.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0035   21.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6904   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4859   12.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2690   11.9148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.2690   10.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0519   12.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0519    9.8138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8474   11.9148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8474   10.5056    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0519    8.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6303   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6303    9.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4133    9.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4133    7.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2088    9.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2088    7.0080    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9792    9.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9792    7.7127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2088    5.6117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7746    9.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7746    7.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577    6.3163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5577    4.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    7.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    4.2025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1361    6.3163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1361    4.9069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3406    2.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9193    7.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9193    4.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577    2.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7021    3.5108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7746    2.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577    0.7048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4975    4.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7021    2.1011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2804    3.5108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4975    1.3966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9193    1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2804    2.1011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0637    4.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4975    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0637    1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5586   16.1173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2136   14.0159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   11.9148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 70  1  1  0  0  0
  4 11  1  0  0  0  0
  6 12  1  1  0  0  0
  6 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  1  0  0  0
  9 15  1  0  0  0  0
  9 13  1  0  0  0  0
  9 71  1  6  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  1  0  0  0
 16 19  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 72  1  1  0  0  0
 20 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  0  0  0
 29 28  1  1  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  6  0  0  0
 33 36  1  1  0  0  0
 33 34  1  0  0  0  0
 34 37  1  6  0  0  0
 38 37  1  1  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  6  0  0  0
 42 45  1  1  0  0  0
 42 43  1  0  0  0  0
 43 46  1  6  0  0  0
 47 46  1  1  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49 51  1  0  0  0  0
 50 52  1  0  0  0  0
 50 53  1  6  0  0  0
 51 54  1  1  0  0  0
 51 52  1  0  0  0  0
 52 55  1  6  0  0  0
 53 56  1  0  0  0  0
 57 55  1  1  0  0  0
 56 58  1  0  0  0  0
 56 59  2  0  0  0  0
 57 60  1  0  0  0  0
 57 61  1  0  0  0  0
 60 62  1  0  0  0  0
 61 63  1  0  0  0  0
 61 64  1  6  0  0  0
 62 65  1  0  0  0  0
 62 66  1  1  0  0  0
 63 67  1  1  0  0  0
 63 65  1  0  0  0  0
 65 68  1  6  0  0  0
 66 69  1  0  0  0  0
M  END
>  <Mol_ID> (384)
3968

>  <Formula> (384)
C49H76O20

>  <MolWeight> (384)
985.11574

>  <Cat> (384)
S5554

>  <Name> (384)
Lanatoside C

>  <Synonyms> (384)
N/A

>  <Target> (384)
ATPase

>  <Form> (384)
free base

>  <CAS> (384)
17575-22-3

>  <URL> (384)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/06012110032D

 40 43  0  0  0  0  0  0  0  0999 V2000
   12.1246    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (385)
4023

>  <Formula> (385)
C28H23ClF3N7O

>  <MolWeight> (385)
565.9767296

>  <Cat> (385)
S5205

>  <Name> (385)
Nilotinib hydrochloride

>  <Synonyms> (385)
AMN-107 HCl

>  <Target> (385)
Bcr-Abl

>  <Form> (385)
hydrochloride 

>  <CAS> (385)
923288-95-3

>  <URL> (385)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5369 Ethoxyquin.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (386)
4039

>  <Formula> (386)
C14H19NO

>  <MolWeight> (386)
217.30676

>  <Cat> (386)
S5369

>  <Name> (386)
Ethoxyquin

>  <Form> (386)
free base

>  <CAS> (386)
91-53-2

$$$$
S9416 Triptonide.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (387)
4148

>  <Formula> (387)
C20H22O6

>  <MolWeight> (387)
358.38508

>  <Cat> (387)
S9416

>  <Name> (387)
Triptonide

>  <Form> (387)
free base

>  <CAS> (387)
38647-11-9

$$$$

csChFnd80/06012110032D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (388)
4223

>  <Formula> (388)
C18H22ClN5S

>  <MolWeight> (388)
375.91878

>  <Cat> (388)
S5919

>  <Name> (388)
KHS101 hydrochloride

>  <Synonyms> (388)
N/A

>  <Target> (388)
Microtubule Associat

>  <Form> (388)
hydrochloride

>  <CAS> (388)
1784282-12-7

>  <URL> (388)
http://www.selleckchem.com/products/khs101-hydrochloride.html

$$$$

csChFnd80/06012110032D

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>  <Mol_ID> (389)
4234

>  <Formula> (389)
C13H15N3O2S

>  <MolWeight> (389)
277.3421

>  <Cat> (389)
S5933

>  <Name> (389)
K 858

>  <Synonyms> (389)
N/A

>  <Target> (389)
Kinesin

>  <Form> (389)
Free Base

>  <CAS> (389)
72926-24-0

>  <URL> (389)
http://www.selleckchem.com/products/k858.html

$$$$

csChFnd80/06012110032D

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    2.4249    5.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2752    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0553    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9176    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3425    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5549    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7673    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9798    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1922    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    1.6125    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
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 11 14  1  0  0  0  0
  7  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
>  <Mol_ID> (390)
4236

>  <Formula> (390)
C19H33NO2

>  <MolWeight> (390)
307.47082

>  <Cat> (390)
S5950

>  <Name> (390)
Fingolimod

>  <Form> (390)
Free Base

>  <CAS> (390)
162359-55-9

$$$$

csChFnd80/06012110032D

 34 38  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
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 21  1  0  0  0  0
 12 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 12  1  0  0  0  0
 30 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (391)
4246

>  <Formula> (391)
C23H14ClF3N6O

>  <MolWeight> (391)
482.8450696

>  <Cat> (391)
S8560

>  <Name> (391)
Seletalisib (UCB-5857)

>  <Synonyms> (391)
N/A

>  <Target> (391)
PI3K

>  <Form> (391)
Free Base

>  <CAS> (391)
1362850-20-1

>  <URL> (391)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/06012110032D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3709    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    5.0373    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <Mol_ID> (392)
4250

>  <Formula> (392)
C24H18ClN3O3

>  <MolWeight> (392)
431.87102

>  <Cat> (392)
S8654

>  <Name> (392)
ex229 (compound 991)

>  <Synonyms> (392)
N/A

>  <Target> (392)
AMPK

>  <Form> (392)
Free Base

>  <CAS> (392)
1219739-36-2

>  <URL> (392)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/06012110032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4936    8.1496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9262    9.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 10 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 21 16  1  0  0  0  0
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 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (393)
4258

>  <Formula> (393)
C20H16N4O

>  <MolWeight> (393)
328.36724

>  <Cat> (393)
S8729

>  <Name> (393)
AZ32

>  <Synonyms> (393)
N/A

>  <Target> (393)
ATM/ATR

>  <Form> (393)
Free Base

>  <CAS> (393)
No CAS

>  <URL> (393)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/06012110032D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (394)
4260

>  <Formula> (394)
C17H20F3N7O2

>  <MolWeight> (394)
411.3816096

>  <Cat> (394)
S8738

>  <Name> (394)
Bimiralisib (PQR309)

>  <Synonyms> (394)
N/A

>  <Target> (394)
PI3K

>  <Form> (394)
Free Base

>  <CAS> (394)
1225037-39-7

>  <URL> (394)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/06012110032D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (395)
4266

>  <Formula> (395)
C21H25F3N6O2

>  <MolWeight> (395)
450.4574096

>  <Cat> (395)
S8752

>  <Name> (395)
leniolisib(CDZ 173)

>  <Synonyms> (395)
N/A

>  <Target> (395)
PI3K

>  <Form> (395)
Free Base

>  <CAS> (395)
1354690-24-6

>  <URL> (395)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/06012110032D

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M  END
>  <Mol_ID> (396)
4271

>  <Formula> (396)
C29H24FN7O

>  <MolWeight> (396)
505.5455632

>  <Cat> (396)
S8761

>  <Name> (396)
Adavivint (SM04690)

>  <Synonyms> (396)
N/A

>  <Target> (396)
Wnt/beta-catenin

>  <Form> (396)
Free Base

>  <CAS> (396)
1467093-03-3

>  <URL> (396)
http://www.selleckchem.com/products/adavivint.html

$$$$

csChFnd80/06012110032D

 36 41  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (397)
4273

>  <Formula> (397)
C26H23FN8O

>  <MolWeight> (397)
482.5122232

>  <Cat> (397)
S8764

>  <Name> (397)
IITZ-01

>  <Synonyms> (397)
N/A

>  <Target> (397)
Autophagy

>  <Form> (397)
Free Base

>  <CAS> (397)
1807988-47-1

>  <URL> (397)
http://www.selleckchem.com/products/iitz-01.html

$$$$
S9054 Pectolinarin.cdx
csChFnd80/06012110032D

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480-19-3

$$$$
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csChFnd80/06012110032D

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>  <Mol_ID> (402)
4355

>  <Formula> (402)
C44H70O16

>  <MolWeight> (402)
855.017

>  <Cat> (402)
S9114

>  <Name> (402)
Polyphyllin I

>  <Form> (402)
free base

>  <CAS> (402)
50773-41-6

$$$$
S9121 Irigenin.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (403)
4360

>  <Formula> (403)
C18H16O8

>  <MolWeight> (403)
360.31484

>  <Cat> (403)
S9121

>  <Name> (403)
Irigenin

>  <Form> (403)
free base

>  <CAS> (403)
548-76-5

$$$$
S9141 Berbamine.cdx
csChFnd80/06012110032D

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free base

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478-61-5

$$$$
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csChFnd80/06012110032D

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4400

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C20H24NO4+

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342.40886

>  <Cat> (405)
S9172

>  <Name> (405)
Phellodendrine

>  <Form> (405)
free base

>  <CAS> (405)
6873-13-8

$$$$
S9190 Oroxin B.cdx
csChFnd80/06012110032D

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4415

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C27H30O15

>  <MolWeight> (406)
594.5181

>  <Cat> (406)
S9190

>  <Name> (406)
Oroxin B

>  <Form> (406)
free base

>  <CAS> (406)
114482-86-9

$$$$

csChFnd80/06012110032D

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>  <Formula> (407)
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>  <Cat> (407)
S2009

>  <Name> (407)
Indirubin-3'-monoxime

>  <Synonyms> (407)
Indirubin-3'-oxime

>  <Target> (407)
CDK

>  <Form> (407)
Free Base

>  <CAS> (407)
160807-49-8

>  <URL> (407)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$
S9230 Vaccarin.cdx
csChFnd80/06012110032D

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M  END
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4442

>  <Formula> (408)
C32H38O19

>  <MolWeight> (408)
726.63272

>  <Cat> (408)
S9230

>  <Name> (408)
Vaccarin

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free base

>  <CAS> (408)
53452-16-7

$$$$
S9234 Schaftoside.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (409)
4445

>  <Formula> (409)
C26H28O14

>  <MolWeight> (409)
564.49212

>  <Cat> (409)
S9234

>  <Name> (409)
Schaftoside

>  <CAS> (409)
51938-32-0

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/06012110032D

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M  END
>  <Mol_ID> (410)
4507

>  <Formula> (410)
C21H22O7

>  <MolWeight> (410)
386.39518

>  <Cat> (410)
S9315

>  <Name> (410)
Praeruptorin A

>  <Form> (410)
free base

>  <CAS> (410)
73069-25-7

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/06012110032D

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>  <Mol_ID> (411)
4665

>  <Formula> (411)
C22H27Cl2N7O2S

>  <MolWeight> (411)
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>  <Cat> (411)
S5254

>  <Name> (411)
Dasatinib hydrochloride

>  <Synonyms> (411)
BMS 354825 hydrochloride

>  <Target> (411)
Abl/Src

>  <Form> (411)
hydrochloride 

>  <CAS> (411)
854001-07-3

>  <URL> (411)
http://selleckchem.com/products/.html

$$$$

csChFnd80/06012110032D

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M  END
>  <Mol_ID> (412)
4745

>  <Formula> (412)
C16H21Cl2N3

>  <MolWeight> (412)
326.26404

>  <Cat> (412)
S5670

>  <Name> (412)
Chloropyramine hydrochloride

>  <Synonyms> (412)
Halopyramine hydrochloride

>  <Target> (412)
Histamine Receptor

>  <Form> (412)
hydrochloride

>  <CAS> (412)
6170-42-9

>  <URL> (412)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/06012110032D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 15 20  1  0  0  0  0
 10 18  1  0  0  0  0
 21 22  2  0  0  0  0
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 21 24  1  0  0  0  0
  5 21  1  0  0  0  0
M  END
>  <Mol_ID> (413)
4839

>  <Formula> (413)
C18H19F3N2O4S2

>  <MolWeight> (413)
448.4796696

>  <Cat> (413)
S5815

>  <Name> (413)
WAY-316606

>  <Synonyms> (413)
N/A

>  <Target> (413)
Wnt/beta-catenin

>  <Form> (413)
Free Base

>  <CAS> (413)
915759-45-4

>  <URL> (413)
http://www.selleckchem.com/products/way-316606.html

$$$$

csChFnd80/06012110032D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (414)
4842

>  <Formula> (414)
C21H16FN7O

>  <MolWeight> (414)
401.3964432

>  <Cat> (414)
S5818

>  <Name> (414)
acalisib (GS-9820)

>  <Synonyms> (414)
CAL-120

>  <Target> (414)
PI3K

>  <Form> (414)
Free Base

>  <CAS> (414)
870281-34-8

>  <URL> (414)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/06012110032D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (415)
4862

>  <Formula> (415)
C19H21N3O3S

>  <MolWeight> (415)
371.45334

>  <Cat> (415)
S8789

>  <Name> (415)
SSE15206

>  <Synonyms> (415)
N/A

>  <Target> (415)
Microtubule Associat

>  <Form> (415)
Free Base

>  <CAS> (415)
1370046-40-4

>  <URL> (415)
http://www.selleckchem.com/products/sse15206.html

$$$$

csChFnd80/06012110032D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (416)
4865

>  <Formula> (416)
C27H19ClN2O3

>  <MolWeight> (416)
454.90436

>  <Cat> (416)
S8803

>  <Name> (416)
MK-3903

>  <Synonyms> (416)
N/A

>  <Target> (416)
AMPK

>  <Form> (416)
Free Base

>  <CAS> (416)
1219737-12-8

>  <URL> (416)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/06012110032D

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    5.8934    2.8001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6810    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8934    4.2001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1059    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6810    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0780   12.3779    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9781   11.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4992    9.9898    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1206    9.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208   10.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996   12.1347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8934    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8934    8.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1059    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6810    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.5343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2236    7.3876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0419    8.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1420    9.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569   13.6935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570   14.7658    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2785   14.5228    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7996   13.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3786   15.5952    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   15.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8575   16.9108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9576   17.9831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2362   17.1538    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1359   16.0814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7147   18.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8150   19.5419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3567   11.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2567   10.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7430    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7430    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9555    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1679    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3804    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3804    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1679    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9555    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5927    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  1  0  0  0
  2 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 14 19  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 22 24  1  0  0  0  0
 15 22  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  1  0  0  0
 36 37  1  0  0  0  0
 27 35  1  0  0  0  0
 27 26  1  1  0  0  0
 12 26  1  1  0  0  0
 38 39  1  0  0  0  0
 13 38  2  0  0  0  0
 11 21  1  0  0  0  0
 40 41  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 42 47  2  0  0  0  0
 45 48  1  0  0  0  0
 41 42  1  0  0  0  0
  1 40  1  0  0  0  0
M  END
>  <Mol_ID> (417)
4893

>  <Formula> (417)
C31H42O17

>  <MolWeight> (417)
686.65498

>  <Cat> (417)
S9473

>  <Name> (417)
Nuzhenide

>  <Synonyms> (417)
Specnuezhenide

>  <Target> (417)
Others

>  <Form> (417)
Free Base

>  <CAS> (417)
39011-92-2

>  <URL> (417)
http://www.selleckchem.com/products/nuzhenide.html

$$$$

csChFnd80/06012110032D

 38 42  0  0  0  0  0  0  0  0999 V2000
    7.3952    4.1882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1465    3.4678    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3952    5.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974    3.4678    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9460    4.1882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5957    6.3009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6974    2.0752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8443    5.5809    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1465    2.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957    7.6936    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5957    3.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1465    6.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    5.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0448    7.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    4.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1465    4.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974    4.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7889    4.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2484    2.0752    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3952    8.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2484    3.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5715    0.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0682    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8443    9.8066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974    0.6826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5957    4.9085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    2.7956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6463    8.9823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1117    0.1519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7196    3.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0345    5.6104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  0  0  0  0
  1 21  1  6  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  2  1  0  0  0  0
  9  2  1  0  0  0  0
  2 22  1  1  0  0  0
  6  3  1  0  0  0  0
 12  3  2  0  0  0  0
  5  4  1  0  0  0  0
 20  4  1  0  0  0  0
  4 23  1  1  0  0  0
  7  4  1  0  0  0  0
 13  5  1  0  0  0  0
  5 33  1  6  0  0  0
 10  6  1  0  0  0  0
  8  6  1  0  0  0  0
  6 32  1  1  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
  7 31  1  6  0  0  0
 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
  8 24  1  1  0  0  0
 14  9  1  0  0  0  0
 18 10  1  0  0  0  0
 10 26  1  1  0  0  0
 10 35  1  6  0  0  0
 16 11  1  0  0  0  0
 13 12  1  0  0  0  0
 25 15  1  0  0  0  0
 15 28  1  6  0  0  0
 15 29  1  1  0  0  0
 19 17  1  0  0  0  0
 18 30  1  6  0  0  0
 19 18  1  0  0  0  0
 27 20  1  0  0  0  0
 27 25  1  0  0  0  0
 25 34  1  1  0  0  0
 36 28  1  0  0  0  0
 24 37  2  0  0  0  0
 24 38  1  0  0  0  0
M  END
>  <Mol_ID> (418)
4915

>  <Formula> (418)
C30H48O5

>  <MolWeight> (418)
488.69912

>  <Cat> (418)
S9514

>  <Name> (418)
Rotundic acid

>  <Synonyms> (418)
Rutundic acid

>  <Target> (418)
Others

>  <Form> (418)
Free Base

>  <CAS> (418)
20137-37-5

>  <URL> (418)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/06012110032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  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
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (419)
4978

>  <Formula> (419)
C10H10O2

>  <MolWeight> (419)
162.1852

>  <Cat> (419)
S6221

>  <Name> (419)
Methyl cinnamate

>  <Synonyms> (419)
N/A

>  <Target> (419)
Others

>  <Form> (419)
free base

>  <CAS> (419)
103-26-4

>  <URL> (419)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/06012110032D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8927    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    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2350    4.4601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0579    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2350    6.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0179    1.0772    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
>  <Mol_ID> (420)
5243

>  <Formula> (420)
C21H19ClNO4+

>  <MolWeight> (420)
384.83286

>  <Cat> (420)
S1292

>  <Name> (420)
Chelerythrine Chloride

>  <Synonyms> (420)
N/A

>  <Target> (420)
PKC

>  <Form> (420)
Chloride

>  <CAS> (420)
3895-92-9

>  <URL> (420)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/06012110032D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.8361    6.2779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    6.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    8.3698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0653    6.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6402    8.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    6.2706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   11.1717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6  3  1  0  0  0  0
 12  4  1  0  0  0  0
  5  6  2  0  0  0  0
  9  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
  8  9  1  0  0  0  0
 13  8  2  0  0  0  0
 10 14  1  0  0  0  0
 23 10  2  0  0  0  0
 11 25  1  0  0  0  0
 11 24  1  0  0  0  0
 18 12  1  0  0  0  0
 16 13  1  0  0  0  0
 14 17  1  0  0  0  0
 28 14  2  0  0  0  0
 15 16  2  0  0  0  0
 19 15  1  0  0  0  0
 26 16  1  0  0  0  0
 17 18  1  0  0  0  0
 29 19  1  0  0  0  0
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 31 28  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (421)
5312

>  <Formula> (421)
C23H26N6O2

>  <MolWeight> (421)
418.49154

>  <Cat> (421)
S6414

>  <Name> (421)
Apilimod

>  <Synonyms> (421)
STA-5326

>  <Target> (421)
PI3K

>  <Form> (421)
Free Base

>  <CAS> (421)
541550-19-0

>  <URL> (421)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/06012110032D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  3  2  1  0  0  0  0
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 20  5  1  0  0  0  0
 23  6  1  0  0  0  0
 10  7  2  0  0  0  0
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 13  8  2  0  0  0  0
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 16 12  2  0  0  0  0
 18 13  1  0  0  0  0
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 21 14  1  0  0  0  0
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 22 15  1  0  0  0  0
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 26 20  2  0  0  0  0
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 23 27  2  0  0  0  0
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M  END
>  <Mol_ID> (422)
5322

>  <Formula> (422)
C23H19NO3

>  <MolWeight> (422)
357.40186

>  <Cat> (422)
S6424

>  <Name> (422)
TAS-301

>  <Synonyms> (422)
N/A

>  <Target> (422)
Others

>  <Form> (422)
Free Base

>  <CAS> (422)
193620-69-8

>  <URL> (422)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/06012110032D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 20  2  0  0  0  0
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 16 21  1  0  0  0  0
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M  END
>  <Mol_ID> (423)
6661

>  <Formula> (423)
C22H19ClN2O6S

>  <MolWeight> (423)
474.91406

>  <Cat> (423)
S6503

>  <Name> (423)
LX2343

>  <Synonyms> (423)
N/A

>  <Target> (423)
BACE

>  <Form> (423)
free base

>  <CAS> (423)
333745-53-2

>  <URL> (423)
http://www.selleck.cn/products/lx2343.html

$$$$

csChFnd80/06012110032D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 16  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (424)
6663

>  <Formula> (424)
C16H15N3O2

>  <MolWeight> (424)
281.3092

>  <Cat> (424)
S6506

>  <Name> (424)
Compound 401

>  <Synonyms> (424)
N/A

>  <Target> (424)
DNA-PK

>  <Form> (424)
free base

>  <CAS> (424)
168425-64-7

>  <URL> (424)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/06012110032D

 34 38  0  0  0  0  0  0  0  0999 V2000
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1032754-81-6

>  <URL> (425)
http://www.selleck.cn/products/gne-477.html

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csChFnd80/06012110032D

 31 34  0  0  0  0  0  0  0  0999 V2000
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EGFR

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1952236-05-3

>  <URL> (426)
http://www.selleck.cn/products/mtx-211.html

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csChFnd80/06012110032D

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>  <Formula> (427)
C28H28F3N5O4

>  <MolWeight> (427)
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>  <Cat> (427)
S6545

>  <Name> (427)
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>  <Synonyms> (427)
N/A

>  <Target> (427)
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>  <Form> (427)
free base

>  <CAS> (427)
1227948-02-8

>  <URL> (427)
http://www.selleck.cn/products/bi-4464.html

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>  <CAS> (428)
1513879-21-4

>  <URL> (428)
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    3.6372    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0462    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  1  7  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  5 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 16 19  1  0  0  0  0
  9 13  1  0  0  0  0
 12 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 27 30  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <Mol_ID> (429)
6704

>  <Formula> (429)
C22H18ClN5O2

>  <MolWeight> (429)
419.86362

>  <Cat> (429)
S6574

>  <Name> (429)
KDU691

>  <Synonyms> (429)
N/A

>  <Target> (429)
PI4K

>  <Form> (429)
free base

>  <CAS> (429)
1513879-19-0

>  <URL> (429)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/06012110032D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 27  1  0  0  0  0
  6 32  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  2  0  0  0  0
  9 23  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
 12 23  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (430)
6707

>  <Formula> (430)
C20H25F3N6O3

>  <MolWeight> (430)
454.4461096

>  <Cat> (430)
S6577

>  <Name> (430)
PKC-theta inhibitor

>  <Synonyms> (430)
N/A

>  <Target> (430)
PKC

>  <Form> (430)
free base

>  <CAS> (430)
736048-65-0

>  <URL> (430)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/06012110032D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.2710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2073    0.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7432    5.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    5.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0516    4.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    5.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1842    6.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148    7.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7605    3.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2246    7.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5430    4.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5430    3.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7554    2.6377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9679    3.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9679    4.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7554    5.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11  7  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 10  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (431)
6725

>  <Formula> (431)
C21H17N3O2S

>  <MolWeight> (431)
375.44358

>  <Cat> (431)
S8704

>  <Name> (431)
iCRT14

>  <Synonyms> (431)
N/A

>  <Target> (431)
Wnt/beta-catenin

>  <Form> (431)
free base

>  <CAS> (431)
677331-12-3

>  <URL> (431)
http://www.selleck.cn/products/icrt14.html

$$$$

csChFnd80/06012110032D

 20 21  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 20  1  0  0  0  0
  2 13  2  0  0  0  0
  3 14  2  0  0  0  0
  4 19  2  0  0  0  0
  5 13  1  0  0  0  0
  5 19  1  0  0  0  0
  6 14  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (432)
6761

>  <Formula> (432)
C14H12N2O4

>  <MolWeight> (432)
272.25608

>  <Cat> (432)
S6568

>  <Name> (432)
ML346

>  <Synonyms> (432)
N/A

>  <Target> (432)
HSP (e.g. HSP90)

>  <Form> (432)
Free Base

>  <CAS> (432)
100872-83-1

>  <URL> (432)
http://www.selleck.cn/products/ml346.html

$$$$

csChFnd80/06012110032D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    3.5108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125    4.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6477    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9817    3.9174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    5.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7847    5.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1793    6.8749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5377    7.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5103    6.2065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8687    6.5452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2546    7.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6130    8.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5855    7.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9439    7.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3298    8.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3573    9.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9989    9.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2820    8.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7747    4.5306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7979    2.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9682    1.6522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6393    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4186    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4186    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436    5.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  2  0  0  0  0
 11 22  1  0  0  0  0
  9 23  2  0  0  0  0
  7 24  1  0  0  0  0
 24 25  2  0  0  0  0
  6 26  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  2 27  1  0  0  0  0
 27 28  1  0  0  0  0
  5 29  2  0  0  0  0
M  END
>  <Mol_ID> (433)
6775

>  <Formula> (433)
C19H17N7O3

>  <MolWeight> (433)
391.38338

>  <Cat> (433)
S6616

>  <Name> (433)
ETC-159

>  <Synonyms> (433)
ETC-1922159

>  <Target> (433)
Wnt/beta-catenin

>  <Form> (433)
Free Base

>  <CAS> (433)
1638250-96-0

>  <URL> (433)
http://www.selleck.cn/products/etc-159.html

$$$$

csChFnd80/06012110032D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4234    3.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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289483-69-8

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ROCK

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Free Base

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867017-68-3

>  <URL> (435)
http://www.selleck.cn/products/azaindole-1.html

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>  <CAS> (436)
147366-41-4

>  <URL> (436)
http://www.selleck.cn/products/mkt-077.html

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1456551-16-8

>  <URL> (437)
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6808

>  <Formula> (438)
C22H23F3N8O

>  <MolWeight> (438)
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>  <Cat> (438)
S6723

>  <Name> (438)
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>  <Synonyms> (438)
IDE-196

>  <Target> (438)
PKC

>  <Form> (438)
Free Base

>  <CAS> (438)
1874276-76-2

>  <URL> (438)
http://www.selleck.cn/products/lxs-196.html

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csChFnd80/06012110032D

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6827

>  <Formula> (439)
C25H26N2O5

>  <MolWeight> (439)
434.48434

>  <Cat> (439)
S6745

>  <Name> (439)
JW55

>  <Synonyms> (439)
N/A

>  <Target> (439)
Wnt/beta-catenin

>  <Form> (439)
Free Base

>  <CAS> (439)
664993-53-7

>  <URL> (439)
http://www.selleck.cn/products/jw55.html

$$$$

csChFnd80/06012110032D

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M  END
>  <Mol_ID> (440)
6832

>  <Formula> (440)
C16H17N3O2

>  <MolWeight> (440)
283.32508

>  <Cat> (440)
S6751

>  <Name> (440)
Brevianamide F

>  <Synonyms> (440)
N/A

>  <Target> (440)
Others

>  <Form> (440)
Free Base

>  <CAS> (440)
38136-70-8

>  <URL> (440)
http://www.selleck.cn/products/brevianamide-f.html

$$$$

csChFnd80/06012110032D

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>  <Mol_ID> (441)
6838

>  <Formula> (441)
C25H26N8O

>  <MolWeight> (441)
454.52694

>  <Cat> (441)
S7716

>  <Name> (441)
TAS-116

>  <Synonyms> (441)
N/A

>  <Target> (441)
HSP (e.g. HSP90)

>  <Form> (441)
Free Base

>  <CAS> (441)
1260533-36-5

>  <URL> (441)
http://www.selleck.cn/products/tas-116.html

$$$$

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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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  1  7  1  0  0  0  0
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 16 24  1  0  0  0  0
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 44 45  2  0  0  0  0
M  END
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6846

>  <Formula> (442)
C36H32N6O3

>  <MolWeight> (442)
596.67768

>  <Cat> (442)
S8839

>  <Name> (442)
Borussertib

>  <Synonyms> (442)
N/A

>  <Target> (442)
Akt

>  <Form> (442)
Free Base

>  <CAS> (442)
1800070-77-2

>  <URL> (442)
http://www.selleck.cn/products/borussertib.html

$$$$

csChFnd80/06012110032D

 28 32  0  0  0  0  0  0  0  0999 V2000
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   10.2563    5.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 17  1  0  0  0  0
  8 18  2  0  0  0  0
  7 19  1  0  0  0  0
 16 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 14  2  0  0  0  0
 17 24  1  0  0  0  0
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M  END
>  <Mol_ID> (443)
6847

>  <Formula> (443)
C18H20N8O2

>  <MolWeight> (443)
380.4038

>  <Cat> (443)
S8843

>  <Name> (443)
AZD7648

>  <Synonyms> (443)
N/A

>  <Target> (443)
DNA-PK

>  <Form> (443)
Free Base

>  <CAS> (443)
2230820-11-6

>  <URL> (443)
http://www.selleck.cn/products/azd7648.html

$$$$

csChFnd80/06012110032D

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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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>  <Mol_ID> (444)
6851

>  <Formula> (444)
C15H19N3O2

>  <MolWeight> (444)
273.33026

>  <Cat> (444)
S8861

>  <Name> (444)
Mavacamten (MYK-461)

>  <Synonyms> (444)
N/A

>  <Target> (444)
Others

>  <Form> (444)
Free Base

>  <CAS> (444)
1642288-47-8

>  <URL> (444)
http://www.selleck.cn/products/myk-461.html

$$$$

csChFnd80/06012110032D

 21 20  0  0  0  0  0  0  0  0999 V2000
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    8.4872    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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6873

>  <Formula> (445)
C18H37NO2

>  <MolWeight> (445)
299.49188

>  <Cat> (445)
S2210

>  <Name> (445)
Sphingosine

>  <Synonyms> (445)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (445)
Others

>  <Form> (445)
Free Base

>  <CAS> (445)
123-78-4

>  <URL> (445)
http://www.selleck.cn/products/sphingosine.html

$$$$

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 38 41  0  0  0  0  0  0  0  0999 V2000
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 35 36  2  0  0  0  0
M  END
>  <Mol_ID> (446)
6893

>  <Formula> (446)
C26H30F3N7O2

>  <MolWeight> (446)
529.5573096

>  <Cat> (446)
S6662

>  <Name> (446)
AST-487

>  <Synonyms> (446)
N/A

>  <Target> (446)
FLT3

>  <Form> (446)
Free Base

>  <CAS> (446)
630124-46-8

>  <URL> (446)
http://www.selleck.cn/products/ast-487.html

$$$$

csChFnd80/06012110032D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.4240    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  1  7  1  0  0  0  0
  5  8  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  7  2  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
>  <Mol_ID> (447)
6900

>  <Formula> (447)
C23H19ClF2N2O3

>  <MolWeight> (447)
444.8583664

>  <Cat> (447)
S6673

>  <Name> (447)
CCG-222740

>  <Synonyms> (447)
N/A

>  <Target> (447)
Rho

>  <Form> (447)
Free Base

>  <CAS> (447)
1922098-69-8

>  <URL> (447)
http://www.selleck.cn/products/ccg-222740.html

$$$$

csChFnd80/06012110032D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.3188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5916    3.7190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.4188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1746    6.2455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5916    5.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5916    6.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9916    5.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9916    6.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1916    5.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4792    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.7188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  2  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 17  1  0  0  0  0
  4 19  2  0  0  0  0
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  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (448)
6910

>  <Formula> (448)
C23H21N5O

>  <MolWeight> (448)
383.44574

>  <Cat> (448)
S8500

>  <Name> (448)
BAY1125976

>  <Synonyms> (448)
N/A

>  <Target> (448)
Akt

>  <Form> (448)
Free Base

>  <CAS> (448)
1402608-02-9

>  <URL> (448)
http://www.selleck.cn/products/bay1125976.html

$$$$

csChFnd80/06012110032D

 38 39  0  0  0  0  0  0  0  0999 V2000
   13.3116    6.2668    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1072    5.5367    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3116    7.6393    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0053    5.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    6.2668    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1072    4.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8158    8.0919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1072    8.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7938    7.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6978    5.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    7.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    3.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7134    9.9682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9025    4.5364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0412   11.8402    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   18.2650   11.3093    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   13.4687    9.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1071    6.9319    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 33  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 34  1  6  0  0  0
  6 12  1  0  0  0  0
  7 13  1  1  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 16 20  1  0  0  0  0
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 17 22  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 28 30  1  0  0  0  0
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  3 37  1  1  0  0  0
  2 38  1  1  0  0  0
M  END
>  <Mol_ID> (449)
6945

>  <Formula> (449)
C23H30Cl2NNa2O6P

>  <MolWeight> (449)
564.346701

>  <Cat> (449)
S2441

>  <Name> (449)
Estramustine phosphate sodium

>  <Synonyms> (449)
EMP, Emcyt, Estracyt

>  <Target> (449)
Microtubule Associated

>  <Form> (449)
Phosphate sodium

>  <CAS> (449)
52205-73-9

>  <URL> (449)
http://www.selleck.cn/products/estramustine-phosphate-sodium.html

$$$$

csChFnd80/06012110032D

 18 19  0  0  0  0  0  0  0  0999 V2000
   11.5290    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (450)
6946

>  <Formula> (450)
C13H17N3O2

>  <MolWeight> (450)
247.29298

>  <Cat> (450)
S2444

>  <Name> (450)
Parbendazole

>  <Synonyms> (450)
SKF 29044

>  <Target> (450)
Microtubule Associated

>  <Form> (450)
Free Base

>  <CAS> (450)
14255-87-9

>  <URL> (450)
http://www.selleck.cn/products/parbendazole.html

$$$$

csChFnd80/06012110032D

 65 70  0  0  0  0  0  0  0  0999 V2000
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M  END
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6975

>  <Formula> (451)
C46H51F3N6O8S2

>  <MolWeight> (451)
937.0577496

>  <Cat> (451)
S8953

>  <Name> (451)
ASP4132

>  <Synonyms> (451)
N/A

>  <Target> (451)
AMPK

>  <Form> (451)
Free Base

>  <CAS> (451)
1640294-30-9

>  <URL> (451)
http://www.selleckchem.com/products/asp4132.html

$$$$

csChFnd80/06012110032D

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6976

>  <Formula> (452)
C26H23N5O2

>  <MolWeight> (452)
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>  <Cat> (452)
S8961

>  <Name> (452)
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>  <Synonyms> (452)
N/A

>  <Target> (452)
Epigenetic Reader Do

>  <Form> (452)
Free Base

>  <CAS> (452)
1637771-14-2

>  <URL> (452)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/06012110032D

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>  <Formula> (453)
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>  <MolWeight> (453)
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>  <Cat> (453)
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>  <Synonyms> (453)
N/A

>  <Target> (453)
Src

>  <Form> (453)
Free Base

>  <CAS> (453)
221243-82-9

>  <URL> (453)
http://www.selleckchem.com/products/1-na-pp1.html

$$$$

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    2.7957    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8814    2.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4573    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4957    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5695    1.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
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 14 17  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (454)
7009

>  <Formula> (454)
C12H8ClNO4S

>  <MolWeight> (454)
297.71422

>  <Cat> (454)
S6796

>  <Name> (454)
BTB-1

>  <Synonyms> (454)
N/A

>  <Target> (454)
Kinesin

>  <Form> (454)
Free Base

>  <CAS> (454)
86030-08-2

>  <URL> (454)
http://www.selleckchem.com/products/btb-1.html

$$$$

csChFnd80/06012110032D

 61 66  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (455)
7030

>  <Formula> (455)
C43H46F3N7O7S

>  <MolWeight> (455)
861.9282496

>  <Cat> (455)
S8888

>  <Name> (455)
GMB-475

>  <Synonyms> (455)
N/A

>  <Target> (455)
PROTAC

>  <Form> (455)
Free Base

>  <CAS> (455)
no cas

>  <URL> (455)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/06012110032D

 52 53  0  0  0  0  0  0  0  0999 V2000
   13.3990    3.8011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8284    6.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5431    4.5979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0363    4.5011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4612    4.5011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16  1  1  6  0  0  0
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 29 30  1  0  0  0  0
 30 34  1  0  0  0  0
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 34 38  1  0  0  0  0
 35 39  1  0  0  0  0
 35 42  1  0  0  0  0
 39 44  1  0  0  0  0
 40 41  1  0  0  0  0
 41 43  1  0  0  0  0
 43 45  1  0  0  0  0
 43 46  1  0  0  0  0
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 51 52  1  0  0  0  0
M  END
>  <Mol_ID> (456)
7054

>  <Formula> (456)
C39H65N5O8

>  <MolWeight> (456)
731.9621

>  <Cat> (456)
S0328

>  <Name> (456)
MMAF

>  <Synonyms> (456)
Monomethylauristatin F

>  <Target> (456)
Microtubule Associat

>  <Form> (456)
Free Base

>  <CAS> (456)
745017-94-1

>  <URL> (456)
http://www.selleckchem.com/products/mmaf.html

$$$$

csChFnd80/06012110032D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   12.1247    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
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  5 14  1  0  0  0  0
  6 17  1  0  0  0  0
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  7 21  1  0  0  0  0
  7 23  1  0  0  0  0
  8 20  2  0  0  0  0
  8 30  1  0  0  0  0
  9 23  1  0  0  0  0
  9 30  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 27  1  0  0  0  0
 24 29  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (457)
7055

>  <Formula> (457)
C21H18F3N5O

>  <MolWeight> (457)
413.3957296

>  <Cat> (457)
S0360

>  <Name> (457)
EGFR?Inhibitor

>  <Synonyms> (457)
N/A

>  <Target> (457)
EGFR

>  <Form> (457)
Free Base

>  <CAS> (457)
879127-07-8

>  <URL> (457)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/06012110032D

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   10.4900    6.0253    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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  6  1  2  0  0  0  0
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  8  9  1  0  0  0  0
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 11 12  2  0  0  0  0
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 29 22  1  0  0  0  0
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 31 32  1  0  0  0  0
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 20 30  1  0  0  0  0
 22 33  1  1  0  0  0
 25 34  1  0  0  0  0
 28 35  2  0  0  0  0
 32 36  1  1  0  0  0
 26 37  1  1  0  0  0
 30 38  1  1  0  0  0
 31 38  1  6  0  0  0
 30 39  1  0  0  0  0
 20 40  1  6  0  0  0
 40 41  1  0  0  0  0
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 42 44  1  0  0  0  0
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M  END
>  <Mol_ID> (458)
7075

>  <Formula> (458)
C32H43ClN2O9

>  <MolWeight> (458)
635.14482

>  <Cat> (458)
S2447

>  <Name> (458)
Ansamitocin P-3

>  <Synonyms> (458)
Antibiotic C 15003P3

>  <Target> (458)
ADC Cytotoxin

>  <Form> (458)
Free Base

>  <CAS> (458)
66584-72-3

>  <URL> (458)
http://www.selleckchem.com/products/ansamitocin-p-3-maytansinol-isobutyrate.html

$$$$

csChFnd80/06012110032D

 38 41  0  0  0  0  0  0  0  0999 V2000
   10.4632    1.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8421    0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    1.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1200    1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6028    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9821    0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8795    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3976    2.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0218    2.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1740    4.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6954    5.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3168    5.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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 29 30  2  0  0  0  0
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  1 17  1  0  0  0  0
 31 38  1  0  0  0  0
M  END
>  <Mol_ID> (459)
7101

>  <Formula> (459)
C30H28O8

>  <MolWeight> (459)
516.53852

>  <Cat> (459)
S7862

>  <Name> (459)
Rottlerin

>  <Synonyms> (459)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (459)
PKC

>  <Form> (459)
Free Base

>  <CAS> (459)
82-08-6

>  <URL> (459)
http://www.selleckchem.com/products/rottlerin.html

$$$$

csChFnd80/06012110032D

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 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 23  3  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
 25 24  1  0  0  0  0
  4 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 29 30  1  0  0  0  0
 30  4  1  0  0  0  0
 26 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (460)
7104

>  <Formula> (460)
C21H25F2N7O2

>  <MolWeight> (460)
445.4657064

>  <Cat> (460)
S8784

>  <Name> (460)
PQR620

>  <Synonyms> (460)
N/A

>  <Target> (460)
mTOR

>  <Form> (460)
Free Base

>  <CAS> (460)
1927857-56-4

>  <URL> (460)
http://www.selleckchem.com/products/pqr620.html

$$$$

csChFnd80/06012110032D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  2 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (461)
7145

>  <Formula> (461)
C16H18N2O2S

>  <MolWeight> (461)
302.39132

>  <Cat> (461)
S0279

>  <Name> (461)
Dimethylenastron

>  <Target> (461)
Kinesin

>  <Form> (461)
free base

>  <CAS> (461)
863774-58-7

>  <URL> (461)
http://www.selleckchem.com/products/dimethylenastron.html

$$$$

csChFnd80/06012110032D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  1  4  2  0  0  0  0
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  2 28  1  0  0  0  0
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  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  2  0  0  0  0
  9 14  2  0  0  0  0
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 10 11  1  0  0  0  0
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 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 20  2  0  0  0  0
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 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 22  1  0  0  0  0
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 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
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 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (462)
7147

>  <Formula> (462)
C21H19N3O2S2

>  <MolWeight> (462)
409.52446

>  <Cat> (462)
S0294

>  <Name> (462)
HSF1A

>  <Target> (462)
HSP (HSP90)

>  <Form> (462)
free base

>  <CAS> (462)
1196723-93-9

>  <URL> (462)
http://www.selleckchem.com/products/hsf1a.html

$$$$

csChFnd80/06012110032D

 32 34  0  0  0  0  0  0  0  0999 V2000
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 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (463)
7151

>  <Formula> (463)
C24H21Cl2NO5

>  <MolWeight> (463)
474.33324

>  <Cat> (463)
S0314

>  <Name> (463)
TR-14035

>  <Target> (463)
Integrin

>  <Form> (463)
free base

>  <CAS> (463)
232271-19-1

>  <URL> (463)
http://www.selleckchem.com/products/tr-14035.html

$$$$

csChFnd80/06012110032D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (464)
7161

>  <Formula> (464)
C22H16ClN3O2

>  <MolWeight> (464)
389.83434

>  <Cat> (464)
S0444

>  <Name> (464)
Indibulin

>  <Target> (464)
Microtubule Associat

>  <Form> (464)
free base

>  <CAS> (464)
204205-90-3

>  <URL> (464)
http://www.selleckchem.com/products/Indibulin.html

$$$$

csChFnd80/06012110032D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (465)
7164

>  <Formula> (465)
C14H10N4O3S

>  <MolWeight> (465)
314.3192

>  <Cat> (465)
S0458

>  <Name> (465)
KY1220

>  <Target> (465)
Wnt/beta-catenin

>  <Form> (465)
free base

>  <CAS> (465)
292168-79-7

>  <URL> (465)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/06012110032D

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   10.8516    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
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 10 11  1  0  0  0  0
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 11 25  2  0  0  0  0
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 26 30  2  0  0  0  0
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M  END
>  <Mol_ID> (466)
7179

>  <Formula> (466)
C25H34N6O8S2

>  <MolWeight> (466)
610.70286

>  <Cat> (466)
S0785

>  <Name> (466)
Apilimod mesylate

>  <Target> (466)
Interleukins

>  <Form> (466)
mesylate

>  <CAS> (466)
870087-36-8

>  <URL> (466)
http://www.selleckchem.com/products/apilimod-mesylate.html

$$$$

csChFnd80/06012110032D

 63 70  0  0  0  0  0  0  0  0999 V2000
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 29 62  1  0  0  0  0
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M  END
>  <Mol_ID> (467)
7194

>  <Formula> (467)
C43H57N5O11S

>  <MolWeight> (467)
852.00458

>  <Cat> (467)
S2440

>  <Name> (467)
Vindesine sulfate

>  <Target> (467)
Microtubule Associat

>  <Form> (467)
sulfate

>  <CAS> (467)
59917-39-4

>  <URL> (467)
http://www.selleckchem.com/products/vindesine-sulfate.html

$$$$

csChFnd80/06012110032D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   10.3621    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8653    2.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0784    4.3631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417    2.1459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 24  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 25  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 26  1  6  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  1  0  0  0  0
  7 27  1  6  0  0  0
  8 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  1  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  1  0  0  0
 16 18  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (468)
7199

>  <Formula> (468)
C21H32O2

>  <MolWeight> (468)
316.47758

>  <Cat> (468)
S3206

>  <Name> (468)
5a-Pregnane-3,20-dione

>  <Target> (468)
Microtubule Associat

>  <Form> (468)
free base

>  <CAS> (468)
566-65-4

>  <URL> (468)
http://www.selleckchem.com/products/5a-pregnane-320-dione.html

$$$$

csChFnd80/06012110032D

 10 10  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 N   0  3  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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (469)
7206

>  <Formula> (469)
C7H7NO2

>  <MolWeight> (469)
137.13598

>  <Cat> (469)
S3220

>  <Name> (469)
Trigonelline

>  <Target> (469)
Phospholipase (e.g. 

>  <Form> (469)
free base

>  <CAS> (469)
535-83-1

>  <URL> (469)
http://www.selleckchem.com/products/trigonelline.html

$$$$

csChFnd80/06012110032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4250    5.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
  9  3  1  6  0  0  0
 10  4  1  1  0  0  0
 11  5  1  6  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (470)
7208

>  <Formula> (470)
C7H14O6

>  <MolWeight> (470)
194.18246

>  <Cat> (470)
S3223

>  <Name> (470)
L-Quebrachitol

>  <Target> (470)
TGF-beta/Smad

>  <Form> (470)
free base

>  <CAS> (470)
642-38-6

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

$$$$

csChFnd80/06012110032D

 32 37  0  0  0  0  0  0  0  0999 V2000
    5.2310    4.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1825    4.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5405    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9874    6.0631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    5.1422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4759    5.8422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5563    3.7817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    5.8422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    7.2422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5078    4.9083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9405    3.6373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7996    7.9908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    7.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    7.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    5.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    7.2713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6884    6.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    5.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    9.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8777    5.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    8.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0173    8.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311   10.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    9.5396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3125    6.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8126    4.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9405    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6824    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6175    5.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  9  1  1  1  0  0  0
 13  2  1  1  0  0  0
  2 29  1  0  0  0  0
 26  3  1  1  0  0  0
  4 28  1  0  0  0  0
  4 32  1  0  0  0  0
  5 29  2  0  0  0  0
  6 32  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  1  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  6  0  0  0
 11 14  1  0  0  0  0
 11 16  1  1  0  0  0
 12 13  1  0  0  0  0
 12 22  1  1  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 14 24  1  1  0  0  0
 15 16  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  6  0  0  0
 21 25  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  2  0  0  0  0
 23 26  1  0  0  0  0
 25 26  1  0  0  0  0
 27 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (471)
7209

>  <Formula> (471)
C26H34O6

>  <MolWeight> (471)
442.54456

>  <Cat> (471)
S3224

>  <Name> (471)
Cinobufagin

>  <Target> (471)
ATM/ATR

>  <Form> (471)
free base

>  <CAS> (471)
470-37-1

>  <URL> (471)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/06012110032D

 28 33  0  0  0  0  0  0  0  0999 V2000
    5.2310    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1826    0.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    2.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    1.5049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5564    0.1442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    3.6048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5079    1.2709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    4.3533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    3.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    4.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    3.6340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6885    2.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    5.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8778    1.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    4.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174    5.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    6.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    5.9023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3126    2.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6826    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6176    2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  8  1  1  1  0  0  0
 24  2  1  1  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  1  0  0  0
  7  9  1  0  0  0  0
  7 15  1  6  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  1  0  0  0
 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  6  0  0  0
 19 23  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (472)
7217

>  <Formula> (472)
C24H32O4

>  <MolWeight> (472)
384.50848

>  <Cat> (472)
S3238

>  <Name> (472)
Resibufogenin

>  <Target> (472)
RIP kinase

>  <Form> (472)
free base

>  <CAS> (472)
465-39-4

>  <URL> (472)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/06012110032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   11.1757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 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 10  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (473)
7219

>  <Formula> (473)
C17H18O4

>  <MolWeight> (473)
286.32242

>  <Cat> (473)
S3241

>  <Name> (473)
Loureirin A

>  <Target> (473)
Akt

>  <Form> (473)
free base

>  <CAS> (473)
119425-89-7

>  <URL> (473)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/06012110032D

 38 45  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.7903    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  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  6  1  0  0  0  0
 18 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 19  2  0  0  0  0
 16 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 15 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
 21 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 13 32  1  0  0  0  0
 11 33  1  0  0  0  0
  3 34  1  0  0  0  0
  1 35  1  0  0  0  0
 23 36  1  0  0  0  0
  7 37  2  0  0  0  0
 25 38  2  0  0  0  0
M  END
>  <Mol_ID> (474)
7246

>  <Formula> (474)
C30H16O8

>  <MolWeight> (474)
504.44324

>  <Cat> (474)
S3273

>  <Name> (474)
Hypericin

>  <Target> (474)
MAO

>  <Form> (474)
free base

>  <CAS> (474)
548-04-9

>  <URL> (474)
http://www.selleckchem.com/products/hypericin.html

$$$$

csChFnd80/06012110032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3666    2.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8528    7.0576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792    9.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9418    2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3441    8.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6013    9.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8640    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    4.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (475)
7260

>  <Formula> (475)
C19H12O7

>  <MolWeight> (475)
352.29438

>  <Cat> (475)
S3289

>  <Name> (475)
Daphnoretin

>  <Target> (475)
PKC

>  <Form> (475)
free base

>  <CAS> (475)
2034-69-7

>  <URL> (475)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/06012110032D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (476)
7264

>  <Formula> (476)
C16H17NO3

>  <MolWeight> (476)
271.31108

>  <Cat> (476)
S3294

>  <Name> (476)
Demethyl-Coclaurine

>  <Target> (476)
Adrenergic Receptor

>  <Form> (476)
free base

>  <CAS> (476)
5843-65-2

>  <URL> (476)
http://www.selleckchem.com/products/demethyl-coclaurine.html

$$$$

csChFnd80/06012110032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8854    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8754    4.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  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  8  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (477)
7266

>  <Formula> (477)
C16H12O6

>  <MolWeight> (477)
300.26288

>  <Cat> (477)
S3296

>  <Name> (477)
Hispidulin

>  <Target> (477)
Pim

>  <Form> (477)
free base

>  <CAS> (477)
1447-88-7

>  <URL> (477)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/06012110032D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166   10.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0084    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (478)
7269

>  <Formula> (478)
C19H18NO4+

>  <MolWeight> (478)
324.35052

>  <Cat> (478)
S3299

>  <Name> (478)
Demethyleneberberine

>  <Target> (478)
Peroxidases

>  <Form> (478)
free base

>  <CAS> (478)
25459-91-0

>  <URL> (478)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/06012110032D

 34 36  0  0  0  0  0  0  0  0999 V2000
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 28 29  1  0  0  0  0
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 31 32  1  0  0  0  0
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M  END
>  <Mol_ID> (479)
7286

>  <Formula> (479)
C27H33ClN2O4

>  <MolWeight> (479)
485.01492

>  <Cat> (479)
S6760

>  <Name> (479)
LM22B-10

>  <Target> (479)
Trk receptor

>  <Form> (479)
free base

>  <CAS> (479)
342777-54-2

>  <URL> (479)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/06012110032D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (480)
7291

>  <Formula> (480)
C27H24N6

>  <MolWeight> (480)
432.51966

>  <Cat> (480)
S6811

>  <Name> (480)
Miransertib (ARQ-092)

>  <Target> (480)
Akt

>  <Form> (480)
free base

>  <CAS> (480)
1313881-70-7

>  <URL> (480)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/06012110032D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (481)
7294

>  <Formula> (481)
C15H18Cl2N2O2S

>  <MolWeight> (481)
361.28662

>  <Cat> (481)
S6847

>  <Name> (481)
ML-9 HCl

>  <Target> (481)
Akt

>  <Form> (481)
hydrochloride

>  <CAS> (481)
105637-50-1

>  <URL> (481)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

csChFnd80/06012110032D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (482)
7316

>  <Formula> (482)
C20H12N2OS4

>  <MolWeight> (482)
424.58208

>  <Cat> (482)
S6898

>  <Name> (482)
RCM-1

>  <Target> (482)
Interleukins

>  <Form> (482)
free base

>  <CAS> (482)
339163-65-4

>  <URL> (482)
http://www.selleckchem.com/products/rcm-1.html

$$$$

csChFnd80/06012110032D

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   10.7794    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 13  9  2  0  0  0  0
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 25 26  1  0  0  0  0
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M  END
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C18H19N5O3

>  <MolWeight> (483)
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free base

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2408648-20-2

>  <URL> (483)
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csChFnd80/06012110032D

 30 35  0  0  0  0  0  0  0  0999 V2000
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  7 11  1  0  0  0  0
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  8 20  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
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 12 13  2  0  0  0  0
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 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 22  1  0  0  0  0
 17 25  2  0  0  0  0
 18 19  2  0  0  0  0
 22 24  2  0  0  0  0
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 27 29  2  0  0  0  0
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 29 30  1  0  0  0  0
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7354

>  <Formula> (484)
C22H13FN2O5

>  <MolWeight> (484)
404.3474232

>  <Cat> (484)
S9602

>  <Name> (484)
9-ing-41

>  <Target> (484)
GSK-3

>  <Form> (484)
free base

>  <CAS> (484)
1034895-42-5

>  <URL> (484)
http://www.selleckchem.com/products/9-ing-41.html

$$$$

csChFnd80/06012110032D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
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 13 15  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
>  <Mol_ID> (485)
7355

>  <Formula> (485)
C13H16F3N5O

>  <MolWeight> (485)
315.2942496

>  <Cat> (485)
S9604

>  <Name> (485)
IM156

>  <Target> (485)
AMPK

>  <Form> (485)
free base

>  <CAS> (485)
1422365-93-2

>  <URL> (485)
http://www.selleckchem.com/products/im156.html

$$$$

csChFnd80/06012110032D

 21 20  0  0  0  0  0  0  0  0999 V2000
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   12.1244   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
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7358

>  <Formula> (486)
C18H32O3

>  <MolWeight> (486)
296.44488

>  <Cat> (486)
S9611

>  <Name> (486)
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>  <Target> (486)
Others

>  <Form> (486)
free base

>  <CAS> (486)
57818-44-7

>  <URL> (486)
http://www.selleckchem.com/products/abtl-0812.html

$$$$

csChFnd80/06012110032D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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7365

>  <Formula> (487)
C25H20FN7O

>  <MolWeight> (487)
453.4710032

>  <Cat> (487)
S9658

>  <Name> (487)
SP-146

>  <Target> (487)
Aurora Kinase

>  <Form> (487)
free base

>  <CAS> (487)
No

>  <URL> (487)
http://www.selleckchem.com/products/sp-146.html

$$$$

csChFnd80/06012110032D

 35 42  0  0  0  0  0  0  0  0999 V2000
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    2.6140    7.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5260    8.3118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    7.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1374    6.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8374    7.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1374    8.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7374    8.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1273    5.3424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3747    5.9780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1557    7.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7270    5.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7170    6.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3546    7.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0023    8.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5700   10.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4374   10.9116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3048   10.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7824   10.7887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9901    3.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5549    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7673    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
  8 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  9  2  0  0  0  0
  9 10  1  0  0  0  0
  7  8  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
  5 20  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 19  1  0  0  0  0
 27 30  2  0  0  0  0
  1 31  1  6  0  0  0
  2 32  1  1  0  0  0
  3 34  1  1  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (488)
7373

>  <Formula> (488)
C28H26N4O3

>  <MolWeight> (488)
466.53104

>  <Cat> (488)
S1421

>  <Name> (488)
Staurosporine

>  <Synonyms> (488)
CGP 41251

>  <Target> (488)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (488)
Free Base

>  <CAS> (488)
62996-74-1

>  <URL> (488)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/06012110032D

 46 45  0  0  0  0  0  0  0  0999 V2000
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    2.4291    7.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4333    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    1.4000    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
    6.0748    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5661    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7785    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4159    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6283    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8407    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0532    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2656    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4780    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6905    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9029    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1153    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   36.3899    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9288    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 34 41  1  0  0  0  0
 30 42  1  0  0  0  0
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 18 45  1  0  0  0  0
 14 46  1  0  0  0  0
M  END
>  <Mol_ID> (489)
7375

>  <Formula> (489)
C45H74O

>  <MolWeight> (489)
631.06846

>  <Cat> (489)
S2360

>  <Name> (489)
Solanesol (Nonaisoprenol)

>  <Synonyms> (489)
Nonaisoprenol, Betulanonaprenol

>  <Target> (489)
others

>  <Form> (489)
Free Base

>  <CAS> (489)
13190-97-1

>  <URL> (489)
https://www.selleckchem.com/products/solanesol-nonaisoprenol.html

$$$$

csChFnd80/06012110032D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.0473    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    8.6193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4499    0.6422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    5.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    4.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    6.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    7.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    2.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2159    2.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    3.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1509    1.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    5.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    6.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2686    4.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  2  0  0  0  0
  2  7  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12 13  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (490)
7399

>  <Formula> (490)
C21H18N2O

>  <MolWeight> (490)
314.38042

>  <Cat> (490)
S0765

>  <Name> (490)
MAZ51

>  <Synonyms> (490)
N/A

>  <Target> (490)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (490)
Free Base

>  <CAS> (490)
163655-37-6

>  <URL> (490)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/06012110032D

 80 89  0  0  0  0  0  0  0  0999 V2000
   24.2569   10.4569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0779    9.8820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.0698    8.4217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8411    7.8614    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8411    9.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6170   10.0485    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.4202    7.8549    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6170    7.2012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.4372    9.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 36  1  1  6  0  0  0
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (491)
7414

>  <Formula> (491)
C51H82O21

>  <MolWeight> (491)
1031.18418

>  <Cat> (491)
S9156

>  <Name> (491)
Chonglou Saponin VII

>  <Synonyms> (491)
Dioscinin, Polyphyllin-VII, Paris saponin-VII

>  <Target> (491)
others

>  <Form> (491)
Free Base

>  <CAS> (491)
68124-04-9

>  <URL> (491)
https://www.selleckchem.com/products/chonglou-saponin-vii.html

$$$$

csChFnd80/06012110032D

 58 63  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (492)
7423

>  <Formula> (492)
C42H70O12

>  <MolWeight> (492)
766.998

>  <Cat> (492)
S9210

>  <Name> (492)
Ginsenoside Rk1

>  <Synonyms> (492)
N/A

>  <Target> (492)
others

>  <Form> (492)
Free Base

>  <CAS> (492)
494753-69-4

>  <URL> (492)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/06012110032D

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M  END
>  <Mol_ID> (493)
7431

>  <Formula> (493)
C19H20O5

>  <MolWeight> (493)
328.3591

>  <Cat> (493)
S9264

>  <Name> (493)
Decursin

>  <Synonyms> (493)
N/A

>  <Target> (493)
Immunology & Inflammation related

>  <Form> (493)
Free Base

>  <CAS> (493)
5928-25-6

>  <URL> (493)
https://www.selleckchem.com/products/decursin.html

$$$$

csChFnd80/06012110032D

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M  END
>  <Mol_ID> (494)
7440

>  <Formula> (494)
C57H92O28

>  <MolWeight> (494)
1225.32358

>  <Cat> (494)
S9304

>  <Name> (494)
Platycodin D

>  <Synonyms> (494)
N/A

>  <Target> (494)
Immunology & Inflammation related

>  <Form> (494)
Free Base

>  <CAS> (494)
58479-68-8

>  <URL> (494)
https://www.selleckchem.com/products/platycodin-d.html

$$$$

csChFnd80/06012110032D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (495)
7502

>  <Formula> (495)
C17H16FN5

>  <MolWeight> (495)
309.3408432

>  <Cat> (495)
S0373

>  <Name> (495)
CZC-8004

>  <Synonyms> (495)
CZC-00008004

>  <Target> (495)
Bcr-Abl

>  <Form> (495)
Free Base

>  <CAS> (495)
916603-07-1

>  <URL> (495)
https://www.selleckchem.com/products/czc-8004.html

$$$$

csChFnd80/06012110032D

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  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
  3 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 12 13  1  0  0  0  0
  1 12  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (496)
7523

>  <Formula> (496)
C16H12ClNO

>  <MolWeight> (496)
269.72558

>  <Cat> (496)
S0780

>  <Name> (496)
Oncrasin-1

>  <Synonyms> (496)
N/A

>  <Target> (496)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (496)
Free Base

>  <CAS> (496)
75629-57-1

>  <URL> (496)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/06012110032D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    6.0497    3.5702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8015    4.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4991    3.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7991    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5993    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4991    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 24  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
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  5 18  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (497)
7527

>  <Formula> (497)
C16H11Cl2N3O2S

>  <MolWeight> (497)
380.24844

>  <Cat> (497)
S0795

>  <Name> (497)
O-304

>  <Synonyms> (497)
O-304X

>  <Target> (497)
AMPK

>  <Form> (497)
Free Base

>  <CAS> (497)
1261289-04-6

>  <URL> (497)
https://www.selleckchem.com/products/o-304.html

$$$$

csChFnd80/06012110032D

 32 36  0  0  0  0  0  0  0  0999 V2000
   11.3555    6.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5018    2.5251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   10.2794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9346    3.8565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   13.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    8.1794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6516    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2923    5.6084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4392    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8641    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    3.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0766    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    4.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2229    4.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5540    2.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3388    1.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 28  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  1  0  0  0  0
  7 21  2  0  0  0  0
  7 25  1  0  0  0  0
  8 22  1  0  0  0  0
  8 25  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (498)
7549

>  <Formula> (498)
C22H31N9O

>  <MolWeight> (498)
437.54124

>  <Cat> (498)
S1272

>  <Name> (498)
XL228

>  <Synonyms> (498)
N/A

>  <Target> (498)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

>  <Form> (498)
Free Base

>  <CAS> (498)
898280-07-4

>  <URL> (498)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/06012110032D

 44 48  0  0  0  0  0  0  0  0999 V2000
    2.4168    4.1768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6232    4.8734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    2.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6232    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339    2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0033    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    2.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    0.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    2.0905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6705    2.7850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    2.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9001    4.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2230    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    8.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4501    6.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7723   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5550   13.2183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  6  0  0  0
 11 19  1  0  0  0  0
 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
 24 25  1  0  0  0  0
 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 38  1  0  0  0  0
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 39 40  1  0  0  0  0
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M  END
>  <Mol_ID> (499)
7550

>  <Formula> (499)
C29H30O13

>  <MolWeight> (499)
586.5407

>  <Cat> (499)
S1273

>  <Name> (499)
Amarogentin

>  <Synonyms> (499)
AG

>  <Target> (499)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (499)
Free Base

>  <CAS> (499)
21018-84-8

>  <URL> (499)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/06012110032D

 16 18  0  0  0  0  0  0  0  0999 V2000
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    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (500)
7552

>  <Formula> (500)
C13H8O3

>  <MolWeight> (500)
212.20082

>  <Cat> (500)
S1321

>  <Name> (500)
Urolithin B

>  <Synonyms> (500)
N/A

>  <Target> (500)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (500)
Free Base

>  <CAS> (500)
1139-83-9

>  <URL> (500)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/06012110032D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.1573    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    4.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (501)
7553

>  <Formula> (501)
C16H12O3

>  <MolWeight> (501)
252.26468

>  <Cat> (501)
S1323

>  <Name> (501)
7-Methoxyisoflavone

>  <Synonyms> (501)
MIF

>  <Target> (501)
AMPK

>  <Form> (501)
Free Base

>  <CAS> (501)
1621-56-3

>  <URL> (501)
https://www.selleckchem.com/products/7-methoxyisoflavone.html

$$$$

csChFnd80/06012110032D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.2267    2.2209    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   20.6005    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   14.5175    3.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    1.7946    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8425    5.2902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.1863    3.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    3.1918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3632    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0513    5.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    1.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    5.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    5.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7549    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7900    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    1.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297    3.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9351    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    5.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    3.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    3.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    3.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    1.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    5.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9385    3.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3123    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1020    3.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3997    3.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1863    5.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 27  1  0  0  0  0
  3 33  1  0  0  0  0
  4 28  1  0  0  0  0
  4 34  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  2  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  2  0  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 14  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 23  2  0  0  0  0
 11 25  1  0  0  0  0
 12 24  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 20  2  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 32  2  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (502)
7559

>  <Formula> (502)
C30H36Br2N4O2

>  <MolWeight> (502)
644.44044

>  <Cat> (502)
S2942

>  <Name> (502)
EB-3D

>  <Synonyms> (502)
N/A

>  <Target> (502)
Choline kinase. AMPK. Apoptosis related

>  <Form> (502)
Free Base

>  <CAS> (502)
1839150-63-8

>  <URL> (502)
https://www.selleckchem.com/products/eb-3d.html

$$$$

csChFnd80/06012110032D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.1332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    0.7193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 20  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (503)
7562

>  <Formula> (503)
C13H17Cl2N3O2S

>  <MolWeight> (503)
350.26398

>  <Cat> (503)
S2964

>  <Name> (503)
HA-100 dihydrochloride

>  <Synonyms> (503)
N/A

>  <Target> (503)
PKG, PKA, PKC, MLCK

>  <Form> (503)
Dihydrochlori

>  <CAS> (503)
210297-47-5

>  <URL> (503)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/06012110032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (504)
7668

>  <Formula> (504)
C7H7NO3

>  <MolWeight> (504)
153.13538

>  <Cat> (504)
S3355

>  <Name> (504)
3-Hydroxyanthranilic acid

>  <Synonyms> (504)
3-HAA, 3-HANA

>  <Target> (504)
PI3K, Akt, mTOR, NF-¦ÊB

>  <Form> (504)
Free Base

>  <CAS> (504)
548-93-6

>  <URL> (504)
https://www.selleckchem.com/products/3-hydroxyanthranilic-acid.html

$$$$

csChFnd80/06012110032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    4.6326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1668    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0166    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8041    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0166    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2290    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
 10 11  1  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
  5 14  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
>  <Mol_ID> (505)
7686

>  <Formula> (505)
C17H20N6O2S

>  <MolWeight> (505)
372.4447

>  <Cat> (505)
S6517

>  <Name> (505)
GNE-493

>  <Synonyms> (505)
N/A

>  <Target> (505)
PI3K. mTOR.

>  <Form> (505)
Free Base

>  <CAS> (505)
1033735-94-2

>  <URL> (505)
https://www.selleckchem.com/products/gne-493.html

$$$$

csChFnd80/06012110032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4248    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.5123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.2123    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3621    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 17 20  1  0  0  0  0
 11 14  1  0  0  0  0
 10 11  1  0  0  0  0
  4 10  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (506)
7690

>  <Formula> (506)
C15H15NO4S

>  <MolWeight> (506)
305.3489

>  <Cat> (506)
S6901

>  <Name> (506)
MSAB

>  <Synonyms> (506)
N/A

>  <Target> (506)
Wnt/beta-catenin

>  <Form> (506)
Free Base

>  <CAS> (506)
173436-66-3

>  <URL> (506)
https://www.selleckchem.com/products/msab.html

$$$$

csChFnd80/06012110032D

 35 39  0  0  0  0  0  0  0  0999 V2000
    4.8413   10.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.3878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   10.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  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
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 15 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 15  1  0  0  0  0
 11 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 31 35  1  0  0  0  0
M  END
>  <Mol_ID> (507)
7693

>  <Formula> (507)
C26H24IN7O

>  <MolWeight> (507)
577.41953

>  <Cat> (507)
S6912

>  <Name> (507)
Vacuolin-1

>  <Synonyms> (507)
N/A

>  <Target> (507)
PIKfyve. Autophagy

>  <Form> (507)
Free Base

>  <CAS> (507)
351986-85-1

>  <URL> (507)
https://www.selleckchem.com/products/vacuolin-1.html

$$$$

csChFnd80/06012110032D

 40 46  0  0  0  0  0  0  0  0999 V2000
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    2.4249   11.9004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   16.1004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937   12.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166   13.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9053    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 12  7  2  0  0  0  0
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 39 40  1  0  0  0  0
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M  END
>  <Mol_ID> (508)
7766

>  <Formula> (508)
C29H29N7O3S

>  <MolWeight> (508)
555.65066

>  <Cat> (508)
S8948

>  <Name> (508)
SRX3207

>  <Synonyms> (508)
N/A

>  <Target> (508)
Syk

>  <Form> (508)
Free Base

>  <CAS> (508)
2254693-15-5

>  <URL> (508)
http://www.selleckchem.com/products/srx3207.html

$$$$

csChFnd80/06012110032D

 43 43  0  0  0  0  0  0  0  0999 V2000
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  1 25  2  0  0  0  0
  2 27  1  0  0  0  0
  3 27  2  0  0  0  0
  4 29  2  0  0  0  0
  5 31  2  0  0  0  0
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  7 39  1  0  0  0  0
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 30 13  1  1  0  0  0
 13 35  1  0  0  0  0
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 33 16  1  6  0  0  0
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M  END
>  <Mol_ID> (509)
7861

>  <Formula> (509)
C23H38N10O10

>  <MolWeight> (509)
614.60882

>  <Cat> (509)
S4513

>  <Name> (509)
RGD peptide (GRGDNP)

>  <Synonyms> (509)
N/A

>  <Target> (509)
Integrin

>  <Form> (509)
Free Base

>  <CAS> (509)
114681-65-1

>  <URL> (509)
http://www.selleckchem.com/products/rgd-peptide-grgdnp-.html

$$$$

csChFnd80/06012110032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4382    2.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    2.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4382    0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2255    2.7922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8631    2.0920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    4.1920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    0.0047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0755    2.7920    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.3209    2.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0755    4.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5428    2.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3760    4.8161    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5428    4.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3760    6.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 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
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (510)
7868

>  <Formula> (510)
C16H22O3

>  <MolWeight> (510)
262.34408

>  <Cat> (510)
S4572

>  <Name> (510)
Homosalate

>  <Synonyms> (510)
HMS, Homomenthyl salicylate

>  <Target> (510)
PI3K

>  <Form> (510)
Free Base

>  <CAS> (510)
118-56-9

>  <URL> (510)
http://www.selleckchem.com/products/homosalate.html

$$$$

csChFnd80/06012110032D

 43 48  0  0  0  0  0  0  0  0999 V2000
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    7.8363    3.4611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5835    5.7656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9695    1.5097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5243    4.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7995    1.2092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1 37  1  0  0  0  0
  1 41  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 23  1  0  0  0  0
  6 21  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  2  0  0  0  0
  9 29  2  0  0  0  0
  9 33  1  0  0  0  0
 10 33  1  0  0  0  0
 10 36  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 27 28  2  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  2  0  0  0  0
 38 40  2  0  0  0  0
 39 42  1  0  0  0  0
 40 43  1  0  0  0  0
 42 43  2  0  0  0  0
M  END
>  <Mol_ID> (511)
7932

>  <Formula> (511)
C31H40N8O3S

>  <MolWeight> (511)
604.7661

>  <Cat> (511)
S8917

>  <Name> (511)
ME-401

>  <Synonyms> (511)
PWT-143, P110¦Ä-IN-1

>  <Target> (511)
PI3K

>  <Form> (511)
Free Base

>  <CAS> (511)
1595129-71-7

>  <URL> (511)
http://www.selleckchem.com/products/me-401.html

$$$$

csChFnd80/06012110032D

109112  0  0  0  0  0  0  0  0999 V2000
   26.8878   22.7779    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.3618    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7244    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5996   10.8858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1469   13.2636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (512)
7953

>  <Formula> (512)
C70H107N19O19S

>  <MolWeight> (512)
1550.77948

>  <Cat> (512)
S0339

>  <Name> (512)
Gap 26

>  <Synonyms> (512)
N/A

>  <Target> (512)
Gap-Junction

>  <Form> (512)
Free Base

>  <CAS> (512)
197250-15-0

>  <URL> (512)
http://www.selleckchem.com/products/gap-26.html

$$$$

csChFnd80/06012110032D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (513)
7961

>  <Formula> (513)
C4H11N5

>  <MolWeight> (513)
129.16364

>  <Cat> (513)
S5958

>  <Name> (513)
Metformin

>  <Synonyms> (513)
1,1-Dimethylbiguanide

>  <Target> (513)
AMPK

>  <Form> (513)
Free Base

>  <CAS> (513)
657-24-9

>  <URL> (513)
http://www.selleckchem.com/products/metformin.html

$$$$

csChFnd80/06012110032D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.2744    4.8998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (514)
7991

>  <Formula> (514)
C13H9ClFN3O3

>  <MolWeight> (514)
309.6802632

>  <Cat> (514)
S9806

>  <Name> (514)
DTHIB

>  <Synonyms> (514)
N/A

>  <Target> (514)
HSP (HSP90)

>  <Form> (514)
Free Base

>  <CAS> (514)
897326-30-6

>  <URL> (514)
http://www.selleckchem.com/products/dthib.html

$$$$

csChFnd80/06012110032D

 41 43  0  0  0  0  0  0  0  0999 V2000
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 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (515)
7996

>  <Formula> (515)
C28H25ClF3N7O2

>  <MolWeight> (515)
583.9920096

>  <Cat> (515)
S4895

>  <Name> (515)
Nilotinib hydrochloride monohydrate

>  <Synonyms> (515)
Tasigna, AMN-107 hydrochloride monohydrate

>  <Target> (515)
Bcr-Abl

>  <Form> (515)
Hydrochloride monohydrate

>  <CAS> (515)
923288-90-8

>  <URL> (515)
http://www.selleckchem.com/products/nilotinib-hydrochloride-monohydrate.html

$$$$
